- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0
        0 quality=0.2 violation=1.5
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 3.35, residual support = 47.9:
      O   HA    MET   11 - HN    MET   11   2.79 +/- 0.22  81.384% * 91.9963% (0.95  10.0   3.36  48.35) =  98.653%  kept
          HA    ALA   12 - HN    MET   11   5.21 +/- 0.36  13.711% *  7.4327% (0.73   1.0   2.10  11.90) =   1.343%  kept
          HA    GLU-  14 - HN    MET   11  10.51 +/- 1.94   2.512% *  0.0590% (0.61   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    MET   11  35.79 +/- 9.68   0.788% *  0.0668% (0.69   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    MET   11  36.21 +/- 9.34   0.287% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  30.24 +/- 8.25   0.250% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  27.46 +/- 5.40   0.196% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  28.70 +/- 6.22   0.144% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  28.80 +/- 8.52   0.268% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  22.84 +/- 4.11   0.220% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  30.00 +/- 6.47   0.141% *  0.0242% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  35.74 +/- 8.31   0.100% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.572, support = 2.78, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.75 +/- 0.19  42.779% * 68.6590% (0.71  10.0   2.38  12.46) =  63.582%  kept
      O   HA    MET   11 - HN    ALA   12   2.54 +/- 0.17  54.164% * 31.0568% (0.32  10.0   3.49  11.90) =  36.414%  kept
          HA    GLU-  14 - HN    ALA   12   7.80 +/- 1.13   2.417% *  0.0691% (0.72   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HN    ALA   12  34.56 +/- 8.73   0.177% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  27.97 +/- 5.69   0.104% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  26.67 +/- 5.72   0.155% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.88 +/- 4.45   0.067% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  35.17 +/- 7.98   0.072% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  28.98 +/- 6.56   0.065% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.137, support = 1.71, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.55 +/- 0.33  84.519% * 87.3981% (0.14  10.0   1.72   5.16) =  97.887%  kept
          HA    GLU-  14 - HN    SER   13   5.02 +/- 0.58  14.508% * 10.9599% (0.20   1.0   1.48   6.63) =   2.107%  kept
          HA    PHE   59 - HN    SER   13  23.30 +/- 4.72   0.445% *  0.3951% (0.53   1.0   0.02   0.02) =   0.002%
          HA    TRP   87 - HN    SER   13  33.48 +/- 7.56   0.207% *  0.7360% (0.98   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    SER   13  26.38 +/- 5.15   0.148% *  0.3951% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  33.24 +/- 8.18   0.172% *  0.1159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.27:
      O   QB    SER   13 - HN    SER   13   2.85 +/- 0.44  97.011% * 99.5044% (0.87  10.0   2.06   6.27) =  99.997%  kept
          HB3   SER   37 - HN    SER   13  18.07 +/- 5.87   1.239% *  0.1124% (0.98   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    SER   13  18.62 +/- 5.36   0.942% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   13  25.09 +/- 4.86   0.281% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  33.03 +/- 6.09   0.215% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  30.02 +/- 8.54   0.312% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.5:
      O   HA    GLN   17 - HN    VAL   18   2.54 +/- 0.14  86.923% * 99.5491% (0.81  10.0   5.47  50.48) =  99.994%  kept
          HA    SER   13 - HN    VAL   18  10.97 +/- 2.64   6.310% *  0.0297% (0.24   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    VAL   18  14.68 +/- 5.67   1.477% *  0.1100% (0.89   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    VAL   18   7.40 +/- 0.46   3.739% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  17.51 +/- 4.42   0.456% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  20.68 +/- 7.08   0.289% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  17.77 +/- 5.80   0.543% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  23.81 +/- 5.16   0.151% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  26.79 +/- 6.93   0.111% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 75.4:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.03  83.616% * 86.2062% (0.36  10.0   5.59  76.31) =  98.760%  kept
          HA1   GLY   16 - HN    VAL   18   6.64 +/- 0.25   6.893% * 12.9161% (0.43   1.0   2.51   0.02) =   1.220%  kept
          HA    VAL   70 - HN    VAL   18  12.51 +/- 5.93   2.750% *  0.1992% (0.84   1.0   0.02   0.02) =   0.008%
          HA    LYS+  33 - HN    VAL   18  15.17 +/- 2.83   3.305% *  0.1300% (0.55   1.0   0.02   0.02) =   0.006%
          HB2   SER   37 - HN    VAL   18  15.73 +/- 4.95   1.474% *  0.1839% (0.77   1.0   0.02   0.02) =   0.004%
          HA    GLU-  29 - HN    VAL   18  14.22 +/- 3.10   1.245% *  0.0944% (0.40   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   18  18.80 +/- 4.16   0.432% *  0.1992% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  26.09 +/- 9.79   0.286% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.55:
      O   HA    SER   13 - HN    GLU-  14   2.52 +/- 0.25  81.289% * 89.8139% (0.67  10.0   2.10   6.63) =  98.434%  kept
          HA    GLU-  15 - HN    GLU-  14   5.05 +/- 0.61  11.867% *  9.7572% (0.67   1.0   2.17   1.74) =   1.561%  kept
          HA    GLN   17 - HN    GLU-  14   8.73 +/- 1.47   3.407% *  0.0676% (0.51   1.0   0.02   0.02) =   0.003%
          HA    SER   37 - HN    GLU-  14  16.31 +/- 5.66   0.803% *  0.0676% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  16.61 +/- 3.69   0.685% *  0.0777% (0.58   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU-  14  20.31 +/- 6.36   1.265% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  23.44 +/- 4.19   0.163% *  0.0880% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  26.38 +/- 4.22   0.096% *  0.0745% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  19.10 +/- 3.94   0.306% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  26.46 +/- 3.65   0.119% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.65, residual support = 17.5:
          HN    GLN   17 - HN    GLY   16   2.42 +/- 0.10  96.080% * 86.9199% (0.13   3.65  17.49) =  99.920%  kept
          HE3   TRP   87 - HN    GLY   16  28.31 +/- 8.60   0.825% *  3.2453% (0.90   0.02   0.02) =   0.032%
          HN    TRP   27 - HN    GLY   16  14.51 +/- 2.05   0.627% *  2.4149% (0.67   0.02   0.02) =   0.018%
          HN    THR   39 - HN    GLY   16  13.34 +/- 5.52   2.057% *  0.5424% (0.15   0.02   0.02) =   0.013%
          HN    ALA   61 - HN    GLY   16  19.08 +/- 5.01   0.290% *  3.4845% (0.97   0.02   0.02) =   0.012%
          HN    ALA   91 - HN    GLY   16  28.72 +/- 7.44   0.120% *  3.3928% (0.94   0.02   0.02) =   0.005%
    Distance limit 4.46 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 = 3.65, residual support = 17.5:
        T HN    GLY   16 - HN    GLN   17   2.42 +/- 0.10  99.520% * 99.8536% (1.00 10.00   3.65  17.49) = 100.000%  kept
          HN    SER   82 - HN    GLN   17  26.50 +/- 9.69   0.321% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    GLN   17  22.12 +/- 3.12   0.160% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.501, support = 2.11, residual support = 6.1:
      O   HA    GLU-  15 - HN    GLY   16   2.65 +/- 0.35  76.130% * 75.3461% (0.47  10.0   2.05   5.45) =  94.536%  kept
          HA    GLN   17 - HN    GLY   16   4.92 +/- 0.11  13.761% * 24.0284% (0.97   1.0   3.13  17.49) =   5.449%  kept
          HA    SER   13 - HN    GLY   16   8.76 +/- 1.14   4.940% *  0.0753% (0.47   1.0   0.02   0.02) =   0.006%
          HA    SER   37 - HN    GLY   16  14.79 +/- 5.98   2.026% *  0.1534% (0.97   1.0   0.02   0.02) =   0.005%
          HA    LEU   40 - HN    GLY   16  13.59 +/- 5.29   1.852% *  0.0478% (0.30   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    GLY   16  16.00 +/- 5.80   0.777% *  0.1063% (0.67   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  24.11 +/- 6.53   0.181% *  0.1494% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  20.86 +/- 4.48   0.245% *  0.0694% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  27.07 +/- 4.16   0.089% *  0.0239% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.808, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.64 +/- 0.23  40.495% * 12.6997% (0.90   0.02   0.02) =  48.050%  kept
          HA    GLU-  29 - HN    GLY   16  14.15 +/- 3.60  13.091% * 12.3380% (0.87   0.02   0.02) =  15.092%  kept
          HA    VAL   70 - HN    GLY   16  12.39 +/- 6.72  22.289% *  6.1679% (0.44   0.02   0.02) =  12.845%  kept
          HA    LYS+  33 - HN    GLY   16  13.54 +/- 3.88   8.501% * 10.5138% (0.75   0.02   0.02) =   8.351%  kept
          HB2   SER   82 - HN    GLY   16  27.91 +/-10.62   5.945% * 13.2768% (0.94   0.02   0.02) =   7.375%  kept
          HA    GLN   32 - HN    GLY   16  14.56 +/- 2.94   5.508% *  9.4500% (0.67   0.02   0.02) =   4.863%  kept
          HA    SER   48 - HN    GLY   16  26.66 +/- 6.12   0.999% * 12.6997% (0.90   0.02   0.02) =   1.186%  kept
          HA    ALA   88 - HN    GLY   16  31.37 +/- 8.24   1.063% *  9.9899% (0.71   0.02   0.02) =   0.992%  kept
          HA    GLN  116 - HN    GLY   16  21.16 +/- 3.15   1.469% *  6.1679% (0.44   0.02   0.02) =   0.847%  kept
          HD2   PRO   52 - HN    GLY   16  28.80 +/- 5.31   0.640% *  6.6964% (0.47   0.02   0.02) =   0.400%  kept
    Distance limit 3.56 A violated in 20 structures by 2.58 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 5.16, residual support = 82.8:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.02  53.044% * 95.6067% (0.99  10.0   5.27  85.40) =  96.998%  kept
          HA    GLU-  15 - HN    GLN   17   3.28 +/- 0.39  39.099% *  4.0034% (0.49   1.0   1.71   0.02) =   2.994%  kept
          HA    SER   13 - HN    GLN   17   8.59 +/- 1.48   4.290% *  0.0470% (0.49   1.0   0.02   0.02) =   0.004%
          HA    SER   37 - HN    GLN   17  15.71 +/- 5.14   1.028% *  0.0956% (0.99   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLN   17  15.59 +/- 5.56   0.715% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  13.83 +/- 4.79   1.342% *  0.0298% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLN   17  23.02 +/- 6.46   0.163% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  19.82 +/- 4.74   0.234% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  26.03 +/- 4.30   0.087% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 85.4:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  97.683% * 99.1229% (0.70  10.0 10.00   1.00  85.40) =  99.998%  kept
        T HE21  GLN   17 - HE22  GLN   32  19.83 +/- 4.29   0.156% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    LEU  123 - HE22  GLN   17  19.15 +/- 5.54   0.644% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN   17  19.71 +/- 5.96   0.251% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  20.70 +/- 5.85   0.935% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  24.47 +/- 9.22   0.148% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  23.65 +/- 7.62   0.123% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  25.41 +/- 5.88   0.061% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 85.4:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.146% * 99.4952% (0.63  10.0   1.00  85.40) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN   17  17.45 +/- 4.89   0.401% *  0.1524% (0.48   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HE21  GLN   17  23.01 +/- 6.58   0.278% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  19.83 +/- 4.29   0.158% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  33.45 +/- 6.90   0.018% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.281, support = 3.34, residual support = 22.0:
      O   HA1   GLY   16 - HN    GLN   17   3.24 +/- 0.06  67.218% * 63.2274% (0.22  10.0   3.26  17.49) =  86.195%  kept
          HA    VAL   18 - HN    GLN   17   4.96 +/- 0.19  19.147% * 35.4002% (0.65   1.0   3.85  50.48) =  13.746%  kept
          HA    VAL   70 - HN    GLN   17  12.31 +/- 6.27   4.510% *  0.2834% (1.00   1.0   0.02   0.02) =   0.026%
          HB2   SER   37 - HN    GLN   17  14.23 +/- 5.65   4.066% *  0.1494% (0.53   1.0   0.02   0.02) =   0.012%
          HA    GLU-  29 - HN    GLN   17  13.94 +/- 3.17   2.519% *  0.1951% (0.69   1.0   0.02   0.02) =   0.010%
          HA    LYS+  33 - HN    GLN   17  14.03 +/- 2.95   1.516% *  0.2372% (0.84   1.0   0.02   0.02) =   0.007%
          HA    GLN  116 - HN    GLN   17  20.42 +/- 3.49   0.326% *  0.2834% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   17  27.30 +/-10.11   0.471% *  0.1608% (0.57   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    GLN   17  25.43 +/- 6.39   0.227% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.33, residual support = 4.66:
          HA    LEU   73 - HN    ILE   19   8.29 +/- 8.65 100.000% *100.0000% (0.87   2.33   4.66) = 100.000%  kept
    Distance limit 3.75 A violated in 9 structures by 5.24 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.646, support = 4.86, residual support = 22.5:
      O   HA    VAL   18 - HN    ILE   19   2.21 +/- 0.04  94.099% * 93.7121% (0.65  10.0   4.86  22.56) =  99.903%  kept
          HA    VAL   70 - HN    ILE   19  11.99 +/- 4.93   1.447% *  5.7001% (1.00   1.0   0.79   0.02) =   0.093%
          HA    GLU-  29 - HN    ILE   19  11.89 +/- 1.54   0.797% *  0.0995% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  13.38 +/- 2.03   0.544% *  0.1210% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.26 +/- 0.57   1.878% *  0.0323% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ILE   19  14.57 +/- 3.89   0.589% *  0.0762% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  18.58 +/- 3.52   0.220% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  23.45 +/- 9.70   0.189% *  0.0820% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  21.43 +/- 6.66   0.238% *  0.0323% (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 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.8, residual support = 173.6:
      O   HA    ILE   19 - HN    ILE   19   2.90 +/- 0.03  94.309% * 99.7071% (0.87  10.0   6.80 173.62) =  99.996%  kept
          HA    THR   26 - HN    ILE   19  10.40 +/- 1.75   3.159% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLU-  25 - HN    ILE   19  12.72 +/- 1.77   1.551% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  21.23 +/- 5.21   0.341% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.96 +/- 3.59   0.299% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  24.35 +/- 9.14   0.341% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 25.6:
      O   HA    ILE   19 - HN    ALA   20   2.27 +/- 0.09  91.464% * 99.7374% (0.97  10.0   5.04  25.63) =  99.995%  kept
          HA    GLU-  25 - HN    ALA   20  10.54 +/- 2.87   2.965% *  0.0828% (0.80   1.0   0.02   0.02) =   0.003%
          HA    THR   26 - HN    ALA   20   8.23 +/- 2.29   5.072% *  0.0388% (0.38   1.0   0.02   0.16) =   0.002%
          HA    CYS   53 - HN    ALA   20  21.92 +/- 4.39   0.137% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  23.83 +/- 7.95   0.163% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  23.53 +/- 4.79   0.199% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.91 +/- 0.04  97.309% * 99.9455% (0.97  10.0   3.14  15.21) =  99.998%  kept
          HA    LEU   71 - HN    ALA   20  12.05 +/- 4.34   2.691% *  0.0545% (0.53   1.0   0.02   0.02) =   0.002%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 3.95, residual support = 9.0:
        T HN    LYS+  74 - HN    CYS   21   7.45 +/- 7.43  41.415% * 99.2410% (0.76 10.00   3.95   9.01) =  99.861%  kept
        T HN    LYS+  74 - HN    ILE  119  16.12 +/- 3.35  12.983% *  0.3136% (0.24 10.00   0.02   0.02) =   0.099%
          HN    MET   11 - HN    CYS   21  19.16 +/- 5.46  10.272% *  0.0534% (0.41  1.00   0.02   0.02) =   0.013%
          HN    THR   46 - HN    CYS   21  15.66 +/- 5.91   2.295% *  0.1299% (1.00  1.00   0.02   0.02) =   0.007%
          HN    THR   46 - HN    ILE  119  16.32 +/- 1.32   4.395% *  0.0410% (0.32  1.00   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HN    ILE  119  10.57 +/- 0.72  15.041% *  0.0102% (0.08  1.00   0.02   0.02) =   0.004%
          HN    MET   92 - HN    CYS   21  19.52 +/- 5.43   1.114% *  0.1228% (0.95  1.00   0.02   0.02) =   0.003%
          HN    MET   11 - HN    ILE  119  27.96 +/- 7.59   6.736% *  0.0169% (0.13  1.00   0.02   0.02) =   0.003%
          HN    MET   92 - HN    ILE  119  18.21 +/- 0.98   2.926% *  0.0388% (0.30  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HN    CYS   21  22.38 +/- 5.07   2.824% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 4.03 A violated in 6 structures by 4.05 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.51, residual support = 17.3:
      O   HA    ALA   20 - HN    CYS   21   2.25 +/- 0.04  97.299% * 99.8901% (0.95  10.0   3.51  17.27) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  12.80 +/- 3.78   0.848% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  18.46 +/- 4.57   0.477% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.36 +/- 3.46   0.280% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  14.54 +/- 3.71   0.888% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  19.03 +/- 3.60   0.208% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.83, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.77 +/- 0.07  97.733% * 99.8043% (0.83  10.0   3.83  40.97) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  13.22 +/- 1.38   1.027% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  19.88 +/- 4.24   0.509% *  0.1025% (0.85   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    ASP-  62  23.57 +/- 5.52   0.732% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.523, support = 1.49, residual support = 6.14:
          HA    PHE   59 - HN    ASP-  62   4.04 +/- 0.32  73.872% * 92.4913% (0.52   1.50   6.17) =  99.506%  kept
          HA    ILE   56 - HN    ASP-  62   7.94 +/- 1.40  17.109% *  1.2332% (0.52   0.02   0.02) =   0.307%  kept
          HA    ASP- 113 - HN    ASP-  62  12.91 +/- 2.03   3.678% *  2.0287% (0.86   0.02   0.02) =   0.109%  kept
          HA    LEU  123 - HN    ASP-  62  13.25 +/- 1.94   2.660% *  0.9897% (0.42   0.02   0.02) =   0.038%
          HA    LYS+  99 - HN    ASP-  62  19.15 +/- 2.17   0.832% *  1.6281% (0.69   0.02   0.02) =   0.020%
          HA    ASN   35 - HN    ASP-  62  21.69 +/- 2.96   0.775% *  1.3153% (0.56   0.02   0.02) =   0.015%
          HA    TRP   87 - HN    ASP-  62  23.22 +/- 3.85   1.075% *  0.3137% (0.13   0.02   0.02) =   0.005%
    Distance limit 3.95 A violated in 0 structures by 0.16 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.3, residual support = 21.4:
          HN    THR   23 - HN    HIS   22   2.56 +/- 0.78  91.121% * 97.2544% (0.69   3.31  21.43) =  99.936%  kept
          HE3   TRP   27 - HN    HIS   22   8.41 +/- 1.18   3.786% *  0.8546% (1.00   0.02   0.02) =   0.036%
          QE    PHE   95 - HN    HIS   22  16.62 +/- 3.28   3.110% *  0.6220% (0.73   0.02   0.02) =   0.022%
          QD    PHE   55 - HN    HIS   22  22.02 +/- 4.04   0.244% *  0.8546% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    HIS   22  17.98 +/- 8.16   1.251% *  0.1500% (0.18   0.02   0.02) =   0.002%
          HN    LEU   67 - HN    HIS   22  17.59 +/- 3.45   0.488% *  0.2644% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 1.08, residual support = 6.09:
          HA    ALA   20 - HN    HIS   22   4.88 +/- 0.17  91.178% * 98.9138% (0.95   1.09   6.09) =  99.947%  kept
          HA    LYS+ 102 - HN    HIS   22  21.96 +/- 4.63   4.342% *  0.6572% (0.34   0.02   0.02) =   0.032%
          HA    LEU   71 - HN    HIS   22  14.55 +/- 2.07   4.480% *  0.4290% (0.22   0.02   0.02) =   0.021%
    Distance limit 3.97 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 = 0.686, support = 3.7, residual support = 13.0:
        T HN    THR   26 - HN    THR   23   4.44 +/- 0.41  83.029% * 98.5389% (0.69 10.00   3.70  13.00) =  99.781%  kept
          HN    LEU   80 - HN    THR   23  15.83 +/- 8.39  13.209% *  1.3441% (0.34  1.00   0.55   0.25) =   0.217%  kept
          HN    ALA   34 - HN    THR   23  13.92 +/- 0.85   2.844% *  0.0358% (0.25  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    THR   23  22.79 +/- 4.30   0.917% *  0.0812% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 21.4:
        T HN    HIS   22 - HN    THR   23   2.56 +/- 0.78  94.142% * 99.9047% (0.99 10.00   3.31  21.43) =  99.994%  kept
          HN    ASP-  76 - HN    THR   23  12.56 +/- 6.63   5.858% *  0.0953% (0.95  1.00   0.02   0.02) =   0.006%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.84, residual support = 34.0:
        T HN    GLU-  25 - HN    VAL   24   2.80 +/- 0.20  89.127% * 95.4706% (0.98 10.00   7.87  34.14) =  99.485%  kept
          HN    ASN   28 - HN    VAL   24   5.98 +/- 0.30   9.911% *  4.4328% (0.41  1.00   2.21  14.53) =   0.514%  kept
          HN    ASP-  44 - HN    VAL   24  15.23 +/- 4.03   0.962% *  0.0965% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 7.87, residual support = 34.1:
        T HN    VAL   24 - HN    GLU-  25   2.80 +/- 0.20 100.000% *100.0000% (1.00 10.00   7.87  34.14) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 32.1:
        T HN    THR   26 - HN    GLU-  25   2.86 +/- 0.08  99.493% * 99.9840% (0.97 10.00   5.45  32.09) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.56 +/- 2.32   0.507% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.966, support = 5.4, residual support = 31.3:
        T HN    GLU-  25 - HN    THR   26   2.86 +/- 0.08  73.272% * 93.4405% (0.98 10.00   5.45  32.09) =  97.591%  kept
          HN    ASN   28 - HN    THR   26   4.06 +/- 0.23  26.135% *  6.4650% (0.41  1.00   3.30   0.43) =   2.408%  kept
          HN    ASP-  44 - HN    THR   26  16.33 +/- 4.16   0.593% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 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  97.918% * 98.4556% (0.99   4.46  22.69) =  99.996%  kept
          HN    THR   39 - HN    THR   26  16.90 +/- 1.28   0.330% *  0.2884% (0.65   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  24.24 +/- 5.94   0.234% *  0.3407% (0.76   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    THR   26  22.48 +/- 6.53   0.294% *  0.2704% (0.61   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  20.36 +/- 3.80   0.238% *  0.3062% (0.69   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.82 +/- 1.01   0.396% *  0.1112% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  24.61 +/- 6.01   0.174% *  0.1673% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.16 +/- 4.77   0.415% *  0.0603% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.922, support = 3.64, residual support = 13.7:
          HN    THR   23 - HN    THR   26   4.44 +/- 0.41  65.231% * 66.7255% (0.97   3.70  13.00) =  91.102%  kept
          HE3   TRP   27 - HN    THR   26   7.72 +/- 0.25  13.027% * 29.3662% (0.49   3.23  22.69) =   8.007%  kept
          HD2   HIS   22 - HN    THR   26   7.74 +/- 1.09  15.063% *  2.7222% (0.45   0.33   0.02) =   0.858%  kept
          QE    PHE   95 - HN    THR   26  18.63 +/- 2.69   1.406% *  0.3532% (0.95   0.02   0.02) =   0.010%
          HN    LEU   67 - HN    THR   26  19.47 +/- 3.71   1.309% *  0.3446% (0.92   0.02   0.02) =   0.009%
          HD1   TRP   49 - HN    THR   26  24.78 +/- 6.35   1.756% *  0.2264% (0.61   0.02   0.02) =   0.008%
          QD    PHE   55 - HN    THR   26  24.47 +/- 3.44   0.477% *  0.2114% (0.57   0.02   0.02) =   0.002%
          HD21  ASN   35 - HN    THR   26  15.38 +/- 1.08   1.730% *  0.0505% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.876, support = 4.48, residual support = 65.7:
          HE3   TRP   27 - HN    TRP   27   5.31 +/- 0.21  31.088% * 70.5940% (1.00   5.33 107.21) =  60.847%  kept
          HN    THR   23 - HN    TRP   27   4.50 +/- 0.47  49.185% * 28.6926% (0.69   3.15   1.19) =  39.127%  kept
          QE    PHE   95 - HN    TRP   27  17.01 +/- 2.42   1.445% *  0.1927% (0.73   0.02   0.02) =   0.008%
          HN    LYS+  81 - HN    TRP   27  18.88 +/- 8.87   3.601% *  0.0465% (0.18   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    TRP   27  23.15 +/- 2.93   0.505% *  0.2647% (1.00   0.02   0.02) =   0.004%
          HN    LEU   67 - HN    TRP   27  17.62 +/- 3.38   1.258% *  0.0819% (0.31   0.02   0.02) =   0.003%
          QD    PHE   55 - HN    ALA   91  13.75 +/- 2.66   2.973% *  0.0327% (0.12   0.02   0.02) =   0.003%
          QE    PHE   95 - HN    ALA   91  11.99 +/- 1.02   2.871% *  0.0238% (0.09   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  20.79 +/- 4.90   1.089% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    THR   23 - HN    ALA   91  21.68 +/- 5.49   1.107% *  0.0225% (0.08   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  11.77 +/- 1.84   4.110% *  0.0057% (0.02   0.02   0.02) =   0.001%
          HN    LEU   67 - HN    ALA   91  21.87 +/- 3.00   0.768% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.17 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  98.989% * 99.8587% (0.97 10.00   4.46  22.69) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  24.24 +/- 5.94   0.237% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.16 +/- 2.04   0.616% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.81 +/- 2.99   0.159% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.74, residual support = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.68 +/- 0.52  90.755% * 91.0962% (0.12 10.00   6.75  31.98) =  99.950%  kept
        T HN    GLN   90 - HN    TRP   27  23.20 +/- 5.72   0.377% *  7.3725% (0.95 10.00   0.02   0.02) =   0.034%
          HN    SER   82 - HN    TRP   27  19.60 +/- 9.34   3.552% *  0.1735% (0.22  1.00   0.02   0.02) =   0.007%
          HN    ILE  103 - HN    TRP   27  18.65 +/- 4.12   0.561% *  0.7794% (1.00  1.00   0.02   0.02) =   0.005%
          HN    GLY  109 - HN    TRP   27  23.11 +/- 3.22   0.266% *  0.4100% (0.53  1.00   0.02   0.02) =   0.001%
          HN    GLY  109 - HN    ALA   91  11.28 +/- 1.95   1.874% *  0.0507% (0.07  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.11 +/- 1.67   2.395% *  0.0214% (0.03  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    ALA   91  22.16 +/- 2.90   0.220% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.982, support = 5.2, residual support = 50.1:
        T HN    ASN   28 - HN    TRP   27   2.69 +/- 0.13  75.336% * 94.7380% (0.99 10.00   5.23  50.86) =  98.503%  kept
          HN    GLU-  25 - HN    TRP   27   4.11 +/- 0.13  21.482% *  5.0441% (0.38  1.00   2.81   0.63) =   1.496%  kept
        T HN    ASN   28 - HN    ALA   91  23.52 +/- 5.99   0.301% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    TRP   27  14.26 +/- 4.14   0.814% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.03 +/- 2.93   0.369% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.25 +/- 2.17   1.113% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  23.57 +/- 6.45   0.369% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  24.61 +/- 3.78   0.215% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.34, residual support = 107.2:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  91.869% * 99.6433% (0.76  10.0   2.34 107.21) =  99.990%  kept
          QD    PHE   59 - HE1   TRP   27  16.33 +/- 3.75   5.232% *  0.0996% (0.76   1.0   0.02   0.02) =   0.006%
          HE21  GLN   30 - HE1   TRP   27   9.48 +/- 1.55   2.589% *  0.1292% (0.99   1.0   0.02   0.02) =   0.004%
          HH2   TRP   49 - HE1   TRP   27  22.64 +/- 5.75   0.310% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.84, residual support = 107.2:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.987% * 99.8818% (0.45  10.0   1.84 107.21) =  99.999%  kept
          HZ    PHE   72 - HE1   TRP   27  14.51 +/- 2.75   1.013% *  0.1182% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.94, support = 5.06, residual support = 29.1:
          HN    GLU-  29 - HN    ASN   28   2.83 +/- 0.07  67.105% * 57.5112% (0.98   5.21  32.54) =  78.215%  kept
          HN    GLN   30 - HN    ASN   28   3.91 +/- 0.20  26.041% * 41.1206% (0.80   4.56  16.71) =  21.702%  kept
          HN    GLU-  14 - HN    ASN   28  14.43 +/- 4.86   3.466% *  1.1118% (0.22   0.44   0.02) =   0.078%
          HN    ASP-  86 - HN    ASN   28  22.15 +/- 8.32   0.614% *  0.1954% (0.87   0.02   0.02) =   0.002%
          HE1   HIS  122 - HN    ASN   28  17.79 +/- 6.10   1.727% *  0.0305% (0.14   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    ASN   28  13.23 +/- 2.58   1.047% *  0.0305% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.23, residual support = 50.9:
          HN    TRP   27 - HN    ASN   28   2.69 +/- 0.13  95.737% * 98.6813% (0.99   5.23  50.86) =  99.992%  kept
          HD1   TRP   87 - HN    ASN   28  21.03 +/- 7.04   0.798% *  0.2309% (0.61   0.02   0.02) =   0.002%
          HN    THR   39 - HN    ASN   28  14.08 +/- 1.02   0.721% *  0.2462% (0.65   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    ASN   28  23.52 +/- 5.99   0.385% *  0.2909% (0.76   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    ASN   28  19.48 +/- 3.27   0.340% *  0.2615% (0.69   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    ASN   28  13.05 +/- 0.64   0.888% *  0.0949% (0.25   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    ASN   28  22.94 +/- 6.54   0.415% *  0.1429% (0.38   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.26 +/- 4.34   0.716% *  0.0515% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.417, support = 5.28, residual support = 50.3:
          HD1   TRP   27 - HN    ASN   28   2.85 +/- 0.36  91.594% * 79.7613% (0.41   5.36  50.86) =  98.224%  kept
          HE21  GLN   30 - HN    ASN   28   7.51 +/- 1.26   6.823% * 19.2731% (0.76   0.70  16.71) =   1.768%  kept
          QD    PHE   59 - HN    ASN   28  17.71 +/- 3.35   1.293% *  0.2975% (0.41   0.02   0.02) =   0.005%
          HH2   TRP   49 - HN    ASN   28  24.75 +/- 5.78   0.290% *  0.6681% (0.92   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 105.7:
          HD22  ASN   28 - HN    ASN   28   2.16 +/- 0.17  99.469% * 99.9332% (0.92   5.68 105.74) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  13.20 +/- 1.95   0.531% *  0.0668% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.94, residual support = 105.7:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.725% * 99.9543% (0.98  10.0   2.94 105.74) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  13.43 +/- 2.29   0.275% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.37, residual support = 3.84:
          HA    GLU-  25 - HD21  ASN   28   4.76 +/- 0.31  67.068% * 96.8391% (1.00   1.37   3.86) =  99.463%  kept
          HA    ILE   19 - HD21  ASN   28  11.47 +/- 2.85  15.993% *  1.3359% (0.95   0.02   0.02) =   0.327%  kept
          HA    SER   82 - HD21  ASN   28  20.13 +/-10.30  16.101% *  0.7995% (0.57   0.02   0.02) =   0.197%  kept
          HA    CYS   53 - HD21  ASN   28  23.31 +/- 3.87   0.838% *  1.0255% (0.73   0.02   0.02) =   0.013%
    Distance limit 4.43 A violated in 0 structures by 0.22 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 5.9, residual support = 101.4:
      O   HA    ASN   28 - HN    ASN   28   2.70 +/- 0.04  76.696% * 85.5040% (0.84  10.0   5.98 105.74) =  95.874%  kept
          HA    THR   26 - HN    ASN   28   4.28 +/- 0.27  20.059% * 14.0550% (0.65   1.0   4.24   0.43) =   4.122%  kept
          HA1   GLY  101 - HN    ASN   28  17.00 +/- 5.09   1.062% *  0.1021% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ASN   28  11.42 +/- 0.66   1.053% *  0.0988% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASN   28  21.22 +/- 4.05   0.491% *  0.0888% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ASN   28  24.48 +/- 4.45   0.194% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  23.42 +/- 6.93   0.325% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  25.13 +/- 3.57   0.121% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.12, residual support = 99.7:
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.04  52.230% * 90.4766% (0.97  10.0   5.29 107.21) =  91.856%  kept
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.02  45.161% *  9.2758% (0.10  10.0   3.12  14.42) =   8.143%  kept
          HA    ALA   91 - HN    TRP   27  22.21 +/- 6.35   0.336% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.30 +/- 3.64   0.223% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  13.63 +/- 3.67   0.919% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  26.53 +/- 3.54   0.070% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  22.58 +/- 5.26   0.202% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.81 +/- 1.00   0.296% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.24 +/- 3.98   0.118% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  14.93 +/- 1.93   0.444% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   3.03 +/- 0.20  94.192% * 99.0057% (0.99   4.46  22.69) =  99.992%  kept
          HA    ASP-  62 - HN    TRP   27  19.16 +/- 4.40   0.841% *  0.4324% (0.97   0.02   0.02) =   0.004%
          HA    SER  117 - HN    TRP   27  23.32 +/- 5.58   0.590% *  0.3253% (0.73   0.02   0.02) =   0.002%
          HA    SER   82 - HN    TRP   27  21.48 +/- 9.16   1.368% *  0.0785% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  20.79 +/- 3.85   0.559% *  0.0534% (0.12   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  24.28 +/- 5.61   0.393% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.00 +/- 1.45   1.837% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  23.11 +/- 1.04   0.219% *  0.0402% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  21.72 +/- 5.00 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.46 A violated in 20 structures by 17.27 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 4.64, residual support = 33.5:
      O   HB    THR   26 - HN    THR   26   2.17 +/- 0.17  79.094% * 21.3631% (0.15  10.0   4.16  34.78) =  54.299%  kept
      O   HA    GLU-  25 - HN    THR   26   3.59 +/- 0.03  18.140% * 78.3875% (0.57  10.0   5.22  32.09) =  45.696%  kept
          HA    ILE   19 - HN    THR   26   9.20 +/- 2.15   1.950% *  0.0472% (0.34   1.0   0.02   0.02) =   0.003%
          HA    SER   82 - HN    THR   26  22.53 +/- 9.59   0.439% *  0.1381% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ASP-  62 - HN    THR   26  20.78 +/- 4.90   0.305% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  24.56 +/- 3.98   0.071% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.797, support = 3.06, residual support = 6.39:
          HA    THR   23 - HN    GLU-  25   3.90 +/- 0.29  45.942% * 59.6134% (0.98   2.80   6.40) =  59.813%  kept
          HB    THR   23 - HN    GLU-  25   3.93 +/- 0.63  46.465% * 39.5559% (0.53   3.46   6.40) =  40.140%  kept
          HA    LEU   80 - HN    GLU-  25  17.65 +/- 9.82   5.524% *  0.2986% (0.69   0.02   0.02) =   0.036%
          HA    ASP-  78 - HN    GLU-  25  19.79 +/- 6.50   0.812% *  0.4112% (0.95   0.02   0.02) =   0.007%
          HA    ASP- 105 - HN    GLU-  25  22.34 +/- 5.49   1.257% *  0.1209% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.65 A violated in 0 structures by 0.02 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   2.70 +/- 0.02  95.038% * 99.7793% (0.87  10.0   5.86 127.38) =  99.996%  kept
          HA    ILE   19 - HN    GLU-  25  10.92 +/- 2.72   3.297% *  0.0744% (0.65   1.0   0.02   0.02) =   0.003%
          HA    SER   82 - HN    GLU-  25  21.27 +/-10.28   1.506% *  0.1032% (0.90   1.0   0.02   0.02) =   0.002%
          HA    CYS   53 - HN    GLU-  25  24.57 +/- 4.01   0.159% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.712, support = 5.37, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.29 +/- 0.21  69.114% * 90.9193% (0.73  10.0   5.38  25.75) =  97.215%  kept
          HB    THR   23 - HN    VAL   24   3.80 +/- 0.59  22.959% *  7.3364% (0.22   1.0   5.26  25.75) =   2.606%  kept
          HA    LEU   80 - HN    VAL   24  15.48 +/- 9.71   7.191% *  1.6016% (0.34   1.0   0.75   3.77) =   0.178%  kept
          HA    ASP-  78 - HN    VAL   24  17.36 +/- 6.53   0.454% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  16.77 +/- 4.54   0.281% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.775, support = 3.43, residual support = 19.3:
      O   HA    THR   23 - HN    THR   23   2.80 +/- 0.17  65.674% * 37.3274% (0.61  10.0   3.05  19.30) =  56.870%  kept
      O   HB    THR   23 - HN    THR   23   3.71 +/- 0.21  30.223% * 61.4059% (1.00  10.0   3.95  19.30) =  43.053%  kept
          HA    LEU   80 - HN    THR   23  16.42 +/- 9.17   2.734% *  1.1909% (0.95   1.0   0.41   0.25) =   0.076%
          HA    ASP- 105 - HN    THR   23  21.36 +/- 5.14   0.790% *  0.0568% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    THR   23  17.67 +/- 6.58   0.579% *  0.0190% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 2.93:
          HA    ALA   20 - HN    THR   23   5.44 +/- 0.72  93.123% * 99.0014% (0.73   2.28   2.94) =  99.926%  kept
          HA    LEU   71 - HN    THR   23  14.95 +/- 2.32   6.877% *  0.9986% (0.84   0.02   0.02) =   0.074%
    Distance limit 4.00 A violated in 10 structures by 1.44 A, kept.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.15, residual support = 13.0:
          HB    THR   26 - HN    THR   23   3.82 +/- 0.42  91.626% * 95.5129% (0.99   2.15  13.00) =  99.834%  kept
          HA    ASP-  62 - HN    THR   23  18.61 +/- 5.15   3.297% *  3.6804% (0.97   0.09   0.02) =   0.138%  kept
          HA    SER  117 - HN    THR   23  23.55 +/- 6.63   3.233% *  0.6499% (0.73   0.02   0.02) =   0.024%
          HA    SER   82 - HN    THR   23  20.95 +/- 8.54   1.844% *  0.1567% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.22 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.94, residual support = 105.7:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  98.730% * 99.7763% (0.98  10.0   2.94 105.74) =  99.999%  kept
          HZ2   TRP   87 - HD22  ASN   28  19.33 +/- 7.76   0.713% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  15.14 +/- 3.86   0.278% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  17.86 +/- 3.79   0.216% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.79 +/- 3.19   0.062% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.21, residual support = 32.5:
        T HN    ASN   28 - HN    GLU-  29   2.83 +/- 0.07  90.753% * 99.0428% (0.76 10.00   5.21  32.54) =  99.926%  kept
          HN    GLU-  25 - HN    GLU-  29   6.50 +/- 0.36   7.836% *  0.8325% (0.73  1.00   0.18   0.02) =   0.073%
          HN    ASP-  44 - HN    GLU-  29  16.20 +/- 3.85   0.713% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  18.23 +/- 3.74   0.699% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.25, residual support = 52.3:
        T HN    LEU   31 - HN    GLN   30   2.57 +/- 0.14  97.113% * 98.4622% (0.73 10.00   7.25  52.29) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   30  26.69 +/- 2.69   0.103% *  1.3086% (0.97 10.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   30  19.43 +/- 3.28   0.357% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  25.45 +/- 6.18   0.200% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.50 +/- 2.60   1.432% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  26.48 +/- 2.76   0.102% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.66 +/- 1.94   0.248% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.31 +/- 2.17   0.118% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  23.36 +/- 3.96   0.200% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.61 +/- 2.64   0.128% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.88, residual support = 44.0:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.18  96.160% * 99.0995% (0.98 10.00   5.88  44.03) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  28.27 +/- 2.59   0.106% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   8.84 +/- 0.58   3.031% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.83 +/- 3.18   0.407% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  28.17 +/- 2.74   0.104% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  26.80 +/- 6.46   0.192% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 45.2:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.603% * 99.4510% (0.87  10.0   1.00  45.23) =  99.999%  kept
          HE22  GLN   17 - HE21  GLN   32  19.51 +/- 4.28   0.127% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  21.34 +/- 6.47   0.211% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  34.49 +/- 6.74   0.021% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  28.78 +/- 5.29   0.039% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 45.2:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  98.435% * 98.9152% (0.83  10.0 10.00   1.00  45.23) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  10.39 +/- 2.08   0.717% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  19.51 +/- 4.28   0.125% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  34.49 +/- 6.74   0.020% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  28.15 +/- 7.72   0.053% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  23.82 +/- 4.06   0.062% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  19.57 +/- 2.19   0.084% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.09 +/- 2.77   0.088% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  29.89 +/- 2.66   0.021% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  30.92 +/- 3.46   0.023% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  16.80 +/- 6.08   0.203% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  24.73 +/- 2.89   0.040% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  27.04 +/- 5.02   0.040% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  24.67 +/- 5.88   0.051% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  28.02 +/- 7.23   0.037% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 5.68, residual support = 49.4:
          HN    GLU-  36 - HN    ASN   35   2.59 +/- 0.27  85.109% * 76.0331% (0.90   5.87  51.65) =  95.611%  kept
          HN    THR   39 - HN    ASN   35   5.74 +/- 0.76  12.727% * 23.3106% (0.97   1.67   0.02) =   4.383%  kept
          HN    LYS+ 102 - HN    ASN   35  12.75 +/- 2.81   1.116% *  0.2098% (0.73   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    ASN   35  12.52 +/- 0.58   0.833% *  0.1188% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  25.59 +/- 5.26   0.140% *  0.2832% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  28.78 +/- 3.75   0.075% *  0.0446% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.42 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  54.66) = 100.000%  kept
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 54.7:
      O   HA    ASN   35 - HN    ASN   35   2.78 +/- 0.07  88.092% * 99.5029% (0.98  10.0   4.55  54.66) =  99.992%  kept
          HA    LYS+  99 - HN    ASN   35   9.64 +/- 2.21   3.659% *  0.0910% (0.90   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    ASN   35   8.56 +/- 1.11   4.946% *  0.0494% (0.49   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    ASN   35  19.74 +/- 7.45   0.634% *  0.1013% (1.00   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ASN   35  15.63 +/- 4.25   1.241% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  13.65 +/- 2.85   1.040% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.65 +/- 2.14   0.111% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  27.19 +/- 2.86   0.105% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  24.38 +/- 3.16   0.171% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.41, residual support = 160.0:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  97.864% * 99.6989% (0.90  10.0   2.41 160.02) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   7.55 +/- 1.57   1.788% *  0.1102% (0.99   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HE22  GLN   30  15.63 +/- 3.00   0.282% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.28 +/- 5.71   0.066% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.41, residual support = 160.0:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.721% * 99.8775% (0.92  10.0 10.00   2.41 160.02) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  15.27 +/- 3.07   0.225% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.96 +/- 4.74   0.054% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.559, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.99 +/- 2.30  16.162% *  6.4793% (0.25   0.02   0.02) =  26.675%  kept
          HA    GLN   90 - HN    GLN   30  25.49 +/- 5.69   3.547% * 25.0767% (0.97   0.02   0.02) =  22.657%  kept
          HA    ALA  110 - HN    GLN   30  24.63 +/- 2.10   2.150% * 25.9267% (1.00   0.02   0.02) =  14.201%  kept
          HA    PHE   55 - HN    GLN   30  27.52 +/- 3.03   1.781% * 21.7040% (0.84   0.02   0.02) =   9.845%  kept
          HA    ALA   91 - HN    GLN   30  24.32 +/- 5.57   5.815% *  5.7850% (0.22   0.02   0.02) =   8.569%  kept
          HA    VAL  107 - HN    GLN   30  21.25 +/- 2.48   3.576% *  8.8635% (0.34   0.02   0.02) =   8.075%  kept
          HA    VAL   42 - HN    LYS+  99   8.50 +/- 1.03  45.500% *  0.4257% (0.02   0.02   0.02) =   4.934%  kept
          HA    VAL  107 - HN    LYS+  99  13.96 +/- 0.54  11.137% *  0.5823% (0.02   0.02   0.02) =   1.652%  kept
          HA    ALA  110 - HN    LYS+  99  20.42 +/- 0.93   3.616% *  1.7034% (0.07   0.02   0.02) =   1.569%  kept
          HA    GLN   90 - HN    LYS+  99  24.69 +/- 2.28   2.157% *  1.6475% (0.06   0.02   0.02) =   0.905%  kept
          HA    PHE   55 - HN    LYS+  99  26.10 +/- 2.10   1.785% *  1.4259% (0.05   0.02   0.02) =   0.648%  kept
          HA    ALA   91 - HN    LYS+  99  22.86 +/- 1.67   2.773% *  0.3801% (0.01   0.02   0.02) =   0.268%  kept
    Distance limit 4.34 A violated in 20 structures by 3.83 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.791, support = 4.69, residual support = 36.9:
          HN    ALA   34 - HN    LYS+  33   2.40 +/- 0.20  58.428% * 79.2487% (0.90   4.59  40.78) =  84.826%  kept
          HN    GLN   32 - HN    LYS+  33   2.73 +/- 0.19  41.418% * 19.9973% (0.20   5.24  15.12) =  15.173%  kept
          HN    LEU   80 - HN    LYS+  33  23.19 +/- 5.88   0.118% *  0.3720% (0.97   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  33  28.44 +/- 2.36   0.037% *  0.3820% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.16 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  99.689% * 99.5403% (0.73  10.0   2.00  54.66) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.76 +/- 1.76   0.063% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.06 +/- 2.83   0.080% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.96 +/- 1.30   0.080% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.85 +/- 5.56   0.026% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  21.59 +/- 2.85   0.062% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 51.6:
        T HN    ASN   35 - HN    GLU-  36   2.59 +/- 0.27  95.350% * 99.7986% (0.99 10.00   5.87  51.65) =  99.995%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.33 +/- 2.27   1.957% *  0.1363% (0.14 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    GLU-  36  19.10 +/- 5.61   2.693% *  0.0651% (0.65  1.00   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.44, support = 4.09, residual support = 12.0:
          HN    GLU-  36 - HN    SER   37   2.57 +/- 0.22  68.739% * 31.2884% (0.25   4.47  18.82) =  51.981%  kept
          HN    THR   39 - HN    SER   37   3.47 +/- 0.28  29.774% * 66.7155% (0.65   3.68   4.58) =  48.010%  kept
          HN    TRP   27 - HN    SER   37  15.21 +/- 1.00   0.356% *  0.5558% (0.99   0.02   0.02) =   0.005%
          HN    LYS+ 102 - HN    SER   37  12.62 +/- 2.37   0.769% *  0.0759% (0.14   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    SER   37  22.25 +/- 1.69   0.125% *  0.3852% (0.69   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  26.57 +/- 4.23   0.086% *  0.3401% (0.61   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  29.64 +/- 2.86   0.053% *  0.4286% (0.76   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  27.14 +/- 5.57   0.099% *  0.2105% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.34 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 = 0.908, support = 5.04, residual support = 27.0:
          HN    THR   39 - HN    LYS+  38   2.73 +/- 0.16  66.464% * 80.3384% (0.95   5.37  29.75) =  89.961%  kept
          HN    GLU-  36 - HN    LYS+  38   3.54 +/- 0.25  31.801% * 18.7291% (0.57   2.09   2.54) =  10.035%  kept
          HN    LYS+ 102 - HN    LYS+  38  12.51 +/- 2.23   0.890% *  0.1186% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.38 +/- 0.93   0.405% *  0.2416% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  26.26 +/- 4.26   0.106% *  0.2918% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  21.86 +/- 1.92   0.152% *  0.1078% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  29.42 +/- 2.75   0.059% *  0.1300% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  26.79 +/- 5.84   0.122% *  0.0428% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.41 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   3.56 +/- 0.04  60.751% * 82.0451% (0.38  10.0   4.69  51.65) =  93.401%  kept
          HA    SER   37 - HN    GLU-  36   5.10 +/- 0.21  20.966% * 16.6723% (0.38   1.0   4.06  18.82) =   6.550%  kept
          HA    LEU   40 - HN    GLU-  36   9.25 +/- 1.18   4.792% *  0.2186% (1.00   1.0   0.02   0.02) =   0.020%
          HA    SER   13 - HN    GLU-  36  16.22 +/- 4.87   2.494% *  0.2068% (0.95   1.0   0.02   0.02) =   0.010%
          HA    GLU-  15 - HN    GLU-  36  14.27 +/- 3.59   1.584% *  0.2068% (0.95   1.0   0.02   0.02) =   0.006%
          HA    GLN   17 - HN    GLU-  36  16.04 +/- 3.55   3.654% *  0.0820% (0.38   1.0   0.02   0.02) =   0.006%
          HA    LYS+  99 - HN    GLU-  36  10.26 +/- 2.37   4.548% *  0.0545% (0.25   1.0   0.02   0.02) =   0.005%
          HA    LEU  123 - HN    GLU-  36  20.56 +/- 7.56   0.722% *  0.1150% (0.53   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLU-  36  25.65 +/- 3.00   0.196% *  0.2110% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  26.17 +/- 1.73   0.159% *  0.0980% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.02 +/- 1.94   0.133% *  0.0899% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.05, residual support = 86.2:
      O   HA    GLU-  36 - HN    GLU-  36   2.79 +/- 0.05  98.999% * 99.7892% (0.69  10.0   6.05  86.25) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  20.38 +/- 2.80   0.312% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  21.02 +/- 8.03   0.571% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  28.64 +/- 4.55   0.118% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.49, residual support = 29.7:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.01  87.196% * 99.4774% (0.97  10.0   4.49  29.68) =  99.990%  kept
          HA    GLN   17 - HN    SER   37  15.81 +/- 4.28   3.065% *  0.0995% (0.97   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    SER   37   7.76 +/- 0.96   5.466% *  0.0542% (0.53   1.0   0.02   0.75) =   0.003%
          HA    GLU-  15 - HN    SER   37  14.12 +/- 4.43   1.877% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    SER   37  16.44 +/- 4.92   1.203% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.53 +/- 0.78   0.897% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.41 +/- 1.18   0.134% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  24.85 +/- 2.52   0.160% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.8:
      O   HA    GLU-  36 - HN    SER   37   3.54 +/- 0.07  99.060% * 99.6452% (0.34  10.0   4.29  18.82) =  99.998%  kept
          HA    LYS+  66 - HN    SER   37  19.20 +/- 2.17   0.716% *  0.2819% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HN    SER   37  28.27 +/- 3.69   0.225% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.94, residual support = 21.5:
      O   HA    SER   37 - HN    LYS+  38   3.41 +/- 0.07  81.808% * 94.9472% (0.73  10.0   4.97  21.57) =  99.467%  kept
          HA    LEU   40 - HN    LYS+  38   7.12 +/- 0.41   9.280% *  4.4019% (0.84   1.0   0.81   0.99) =   0.523%  kept
          HA    GLU-  15 - HN    LYS+  38  14.25 +/- 3.88   2.210% *  0.1262% (0.97   1.0   0.02   0.02) =   0.004%
          HA    GLN   17 - HN    LYS+  38  15.83 +/- 4.11   2.259% *  0.0949% (0.73   1.0   0.02   0.02) =   0.003%
          HA    SER   13 - HN    LYS+  38  16.60 +/- 4.07   1.239% *  0.1262% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    LYS+  38  13.16 +/- 0.56   1.445% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  24.42 +/- 2.79   0.267% *  0.1237% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  19.49 +/- 7.57   1.104% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.08 +/- 0.91   0.208% *  0.1047% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.77 +/- 1.82   0.180% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.09, residual support = 2.54:
          HA    GLU-  36 - HN    LYS+  38   4.31 +/- 0.29  95.539% * 97.9633% (0.97   2.09   2.54) =  99.978%  kept
          HA    ALA  124 - HN    LYS+  38  20.12 +/- 8.03   2.338% *  0.4721% (0.49   0.02   0.02) =   0.012%
          HA    LYS+  66 - HN    LYS+  38  18.86 +/- 1.78   1.331% *  0.3308% (0.34   0.02   0.02) =   0.005%
          HA    LYS+  81 - HN    LYS+  38  28.08 +/- 3.25   0.394% *  0.8698% (0.90   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    LYS+  38  28.83 +/- 3.10   0.399% *  0.3640% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 38.1:
      O   HA    THR   39 - HN    THR   39   2.89 +/- 0.04  96.577% * 99.4345% (1.00  10.0   3.92  38.12) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  12.44 +/- 1.87   1.690% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   39  16.95 +/- 0.60   0.485% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  21.34 +/- 4.60   0.435% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  23.75 +/- 1.87   0.184% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.16 +/- 2.27   0.206% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  23.10 +/- 2.07   0.225% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  30.77 +/- 1.88   0.084% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  28.71 +/- 3.14   0.114% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 4.35, residual support = 24.8:
      O   HA    THR   39 - HN    LEU   40   2.24 +/- 0.06  97.692% * 99.4345% (1.00  10.0   4.35  24.80) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  11.19 +/- 1.97   1.138% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   40  13.82 +/- 0.65   0.426% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.80 +/- 2.29   0.156% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  21.40 +/- 2.03   0.119% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  20.14 +/- 2.28   0.162% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.82 +/- 4.03   0.180% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  27.37 +/- 2.18   0.057% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  26.36 +/- 2.85   0.070% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 5.31, residual support = 104.3:
      O   HA    LEU   40 - HN    LEU   40   2.88 +/- 0.06  76.366% * 95.7887% (1.00  10.0   5.32 104.57) =  99.760%  kept
          HA    SER   37 - HN    LEU   40   8.06 +/- 0.38   3.604% *  2.5697% (0.38   1.0   1.43   0.75) =   0.126%  kept
          HA    LYS+  99 - HN    LEU   40   7.75 +/- 1.99   6.560% *  1.1633% (0.25   1.0   0.97   7.33) =   0.104%  kept
          HA    GLU-  15 - HN    LEU   40  13.79 +/- 5.19   2.127% *  0.0906% (0.95   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    LEU   40   8.11 +/- 1.04   4.373% *  0.0360% (0.38   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    LEU   40  13.95 +/- 5.99   3.845% *  0.0360% (0.38   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    LEU   40  17.01 +/- 4.17   0.949% *  0.0906% (0.95   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LEU   40  16.64 +/- 6.89   1.453% *  0.0504% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  19.49 +/- 2.19   0.287% *  0.0924% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  19.81 +/- 0.90   0.240% *  0.0429% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.52 +/- 1.67   0.196% *  0.0394% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.49, residual support = 75.2:
      O   HA    VAL   41 - HN    VAL   41   2.92 +/- 0.02  98.304% * 99.4222% (0.22  10.0   4.49  75.23) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.09 +/- 0.46   0.882% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  20.90 +/- 1.23   0.279% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.03 +/- 2.18   0.535% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.998, support = 5.15, residual support = 21.0:
      O   HA    LEU   40 - HN    VAL   41   2.26 +/- 0.05  84.576% * 97.7307% (1.00  10.0   5.15  21.05) =  99.779%  kept
          HA    LYS+  99 - HN    VAL   41   5.61 +/- 1.62  10.366% *  1.7446% (0.25   1.0   1.43   0.02) =   0.218%  kept
          HA    ASN   35 - HN    VAL   41   9.47 +/- 1.88   1.698% *  0.0367% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  15.32 +/- 4.29   0.468% *  0.0924% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   41  10.39 +/- 0.77   0.917% *  0.0367% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.76 +/- 5.44   0.751% *  0.0367% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.50 +/- 4.14   0.268% *  0.0924% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  16.45 +/- 6.48   0.464% *  0.0514% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  18.52 +/- 1.71   0.163% *  0.0943% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.37 +/- 0.83   0.196% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.67 +/- 1.25   0.134% *  0.0402% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.52, residual support = 27.0:
        T HN    LEU   98 - HN    VAL   41   4.53 +/- 1.39 100.000% *100.0000% (0.97 10.00   5.52  27.01) = 100.000%  kept
    Distance limit 4.22 A violated in 4 structures by 0.70 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.5, residual support = 5.05:
          HA    PHE   72 - HN    VAL   42   5.06 +/- 2.03 100.000% *100.0000% (0.22   1.50   5.05) = 100.000%  kept
    Distance limit 4.26 A violated in 5 structures by 1.27 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.25, residual support = 27.5:
      O   HA    VAL   41 - HN    VAL   42   2.23 +/- 0.04  98.574% * 99.4222% (0.22  10.0   5.25  27.48) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.69 +/- 0.48   0.913% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   42  17.39 +/- 1.26   0.219% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  16.63 +/- 2.37   0.294% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 89.9:
      O   HA    VAL   42 - HN    VAL   42   2.91 +/- 0.03  93.994% * 99.6568% (0.87  10.0   5.45  89.89) =  99.997%  kept
          HA    GLN   17 - HN    VAL   42  14.43 +/- 6.86   2.982% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   42  13.09 +/- 0.71   1.060% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.26 +/- 1.70   0.500% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.71 +/- 1.73   0.286% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  19.87 +/- 2.03   0.334% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.08 +/- 0.60   0.845% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.04, residual support = 41.2:
      O   HA    VAL   42 - HN    VAL   43   2.22 +/- 0.04  96.714% * 99.7026% (1.00  10.0   5.04  41.24) =  99.998%  kept
          HA    GLN   17 - HN    VAL   43  16.40 +/- 6.65   1.326% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   43  11.23 +/- 0.66   0.779% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.70 +/- 0.71   0.230% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  13.88 +/- 1.78   0.513% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.48 +/- 1.69   0.182% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.81 +/- 1.68   0.255% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.455, support = 2.14, residual support = 3.09:
          HA    LYS+  74 - HN    ASP-  44   5.77 +/- 2.67  57.916% * 38.0430% (0.28   2.65   4.49) =  65.646%  kept
          HA    MET   92 - HN    ASP-  44  11.49 +/- 1.99  18.531% * 55.2097% (0.87   1.23   0.48) =  30.482%  kept
          HA    VAL   41 - HN    ASP-  44   8.19 +/- 0.69  20.693% *  6.2050% (0.20   0.61   0.02) =   3.826%  kept
          HA    HIS  122 - HN    ASP-  44  16.18 +/- 4.02   2.859% *  0.5423% (0.53   0.02   0.02) =   0.046%
    Distance limit 3.77 A violated in 7 structures by 1.21 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.9, residual support = 16.4:
      O   HA    VAL   43 - HN    ASP-  44   2.25 +/- 0.13  94.162% * 99.8182% (0.87  10.0   3.90  16.37) =  99.996%  kept
          HA    ASN   69 - HN    ASP-  44  13.01 +/- 2.49   3.447% *  0.0698% (0.61   1.0   0.02   0.02) =   0.003%
          HA    LEU   71 - HN    ASP-  44   9.30 +/- 1.39   1.870% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASP-  44  14.85 +/- 3.59   0.522% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.78, residual support = 39.2:
      O   HA    ASP-  44 - HN    ASP-  44   2.88 +/- 0.06  91.051% * 98.9185% (0.49  10.0   3.78  39.18) =  99.989%  kept
          HB    THR   77 - HN    ASP-  44   9.60 +/- 2.45   4.319% *  0.0835% (0.41   1.0   0.02   0.02) =   0.004%
          HA    LEU  104 - HN    ASP-  44  14.69 +/- 1.98   1.466% *  0.1396% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP-  44  16.79 +/- 2.13   0.541% *  0.2028% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.53 +/- 1.30   1.229% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  20.88 +/- 4.72   0.367% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  23.85 +/- 4.91   0.255% *  0.2032% (1.00   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  16.74 +/- 2.01   0.527% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.51 +/- 5.25   0.246% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 3.41, residual support = 28.2:
        T HN    THR   94 - HN    PHE   45   2.93 +/- 0.71  96.898% * 99.8815% (0.84 10.00   3.41  28.22) =  99.996%  kept
          HN    GLU-  79 - HN    PHE   45  10.40 +/- 1.68   3.102% *  0.1185% (0.99  1.00   0.02   0.02) =   0.004%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.58, residual support = 79.7:
          QD    PHE   45 - HN    PHE   45   2.22 +/- 0.67  98.433% * 98.5297% (0.53   5.58  79.67) =  99.991%  kept
          HD2   HIS  122 - HN    PHE   45  14.24 +/- 2.80   0.818% *  0.6482% (0.97   0.02   0.02) =   0.005%
          HE22  GLN  116 - HN    PHE   45  16.69 +/- 1.48   0.413% *  0.6353% (0.95   0.02   0.02) =   0.003%
          HE22  GLN   17 - HN    PHE   45  21.92 +/- 5.61   0.336% *  0.1867% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   4.21 +/- 1.28 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.66 A violated in 3 structures by 0.36 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.93, residual support = 79.7:
      O   HA    PHE   45 - HN    PHE   45   2.89 +/- 0.04  95.961% * 99.9134% (0.99  10.0   3.93  79.67) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.50 +/- 0.67   1.579% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.26 +/- 1.76   1.892% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.54 +/- 3.24   0.568% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.06, residual support = 17.7:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.03  91.201% * 97.3234% (1.00  10.0   4.06  17.68) =  99.900%  kept
          HB    THR   77 - HN    PHE   45   7.58 +/- 2.37   4.129% *  2.0962% (0.99   1.0   0.43  10.46) =   0.097%
          HA    ILE  103 - HN    PHE   45  13.64 +/- 1.57   0.551% *  0.0921% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    PHE   45  14.43 +/- 2.10   0.495% *  0.0965% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  12.44 +/- 1.78   0.663% *  0.0590% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45  10.54 +/- 3.25   1.726% *  0.0170% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  15.15 +/- 1.92   0.382% *  0.0436% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.81 +/- 1.64   0.390% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.55 +/- 0.78   0.206% *  0.0512% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  28.23 +/- 5.04   0.074% *  0.0971% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  23.89 +/- 4.17   0.105% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  26.77 +/- 4.55   0.078% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.222, support = 4.38, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.35 +/- 0.59  91.736% * 94.3973% (0.22   4.38  12.41) =  99.901%  kept
          HD2   HIS  122 - HN    THR   46  17.34 +/- 2.27   1.974% *  1.8310% (0.95   0.02   0.02) =   0.042%
          HE22  GLN  116 - HN    THR   46  18.91 +/- 1.73   1.389% *  1.8680% (0.97   0.02   0.02) =   0.030%
          HE22  GLN   17 - HN    THR   46  23.35 +/- 6.22   0.980% *  1.1740% (0.61   0.02   0.02) =   0.013%
          HE22  GLN   90 - HN    THR   46  13.72 +/- 1.55   3.370% *  0.2987% (0.15   0.02   0.02) =   0.012%
          HE22  GLN   32 - HN    THR   46  26.07 +/- 3.83   0.551% *  0.4309% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.71, residual support = 3.74:
          HA    ASP-  76 - HN    THR   46   6.08 +/- 4.42  79.775% * 98.8002% (0.53   2.72   3.76) =  99.693%  kept
          HA    LEU   67 - HN    THR   46  15.20 +/- 2.27  20.225% *  1.1998% (0.87   0.02   0.02) =   0.307%  kept
    Distance limit 4.11 A violated in 11 structures by 2.16 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.94, residual support = 12.4:
      O   HA    PHE   45 - HN    THR   46   2.27 +/- 0.09  96.185% * 99.9017% (0.76  10.0   3.94  12.41) =  99.998%  kept
          HA    ASP-  78 - HN    THR   46   8.79 +/- 3.50   3.078% *  0.0491% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   41 - HN    THR   46  14.09 +/- 0.66   0.415% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  18.04 +/- 4.71   0.321% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.2:
      O   HA    THR   46 - HN    THR   46   2.88 +/- 0.06  91.959% * 99.4016% (0.57  10.0   3.25  34.23) =  99.993%  kept
          HA    VAL   42 - HN    THR   46  11.46 +/- 0.50   1.488% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    GLN   90 - HN    THR   46   9.93 +/- 1.45   2.909% *  0.0599% (0.34   1.0   0.02   0.02) =   0.002%
          HA    ALA  110 - HN    THR   46  11.65 +/- 2.24   2.114% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    THR   46  13.85 +/- 1.54   0.942% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  21.23 +/- 7.20   0.444% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  24.88 +/- 0.82   0.144% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.46, residual support = 11.2:
          HN    THR   77 - HN    THR   46   5.07 +/- 4.13 100.000% *100.0000% (1.00   3.46  11.21) = 100.000%  kept
    Distance limit 4.78 A violated in 3 structures by 1.34 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 2.3, residual support = 10.8:
      O   HA    ALA   47 - HN    ALA   47   2.91 +/- 0.03  64.445% * 96.8065% (0.90  10.0   2.32  10.81) =  98.794%  kept
          HA    CYS   50 - HN    ALA   47   5.23 +/- 1.81  25.696% *  2.9393% (0.73   1.0   0.75   6.78) =   1.196%  kept
          HA    TRP   49 - HN    ALA   47   6.90 +/- 0.82   6.831% *  0.0568% (0.53   1.0   0.02  15.99) =   0.006%
          HA    VAL  108 - HN    ALA   47  12.05 +/- 2.04   1.749% *  0.0864% (0.80   1.0   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    ALA   47  13.65 +/- 2.16   0.914% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  19.36 +/- 4.83   0.364% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 11.5:
      O   HA    THR   46 - HN    ALA   47   2.51 +/- 0.18  94.143% * 99.4016% (0.57  10.0   3.07  11.51) =  99.995%  kept
          HA    GLN   90 - HN    ALA   47  10.05 +/- 2.13   2.216% *  0.0599% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    ALA   47  11.44 +/- 1.69   1.424% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  14.94 +/- 0.70   0.480% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  11.63 +/- 2.46   1.483% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  23.49 +/- 6.93   0.183% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.23 +/- 1.14   0.070% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.1, residual support = 14.2:
        T HN    TRP   49 - HN    SER   48   2.64 +/- 0.14  80.386% * 93.5571% (0.84 10.00   4.14  14.47) =  98.437%  kept
          HN    CYS   50 - HN    SER   48   4.68 +/- 0.88  18.726% *  6.3747% (0.61  1.00   1.88   0.02) =   1.562%  kept
          HN    VAL   83 - HN    SER   48  14.37 +/- 2.42   0.680% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  22.40 +/- 4.72   0.209% *  0.0460% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.22, residual support = 6.3:
      O   HA    ALA   47 - HN    SER   48   2.30 +/- 0.09  86.503% * 88.1979% (0.90  10.0   2.22   6.25) =  98.976%  kept
          HA    TRP   49 - HN    SER   48   5.16 +/- 0.13   7.765% *  8.0803% (0.53   1.0   3.12  14.47) =   0.814%  kept
          HA    CYS   50 - HN    SER   48   6.38 +/- 0.77   4.545% *  3.5420% (0.73   1.0   0.99   0.02) =   0.209%  kept
          HA    VAL  108 - HN    SER   48  14.83 +/- 2.51   0.476% *  0.0787% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  16.44 +/- 2.84   0.323% *  0.0676% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  20.05 +/- 6.08   0.389% *  0.0335% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.9, residual support = 85.6:
          HD1   TRP   49 - HN    TRP   49   2.51 +/- 0.79  92.161% * 98.2877% (0.92   4.90  85.66) =  99.979%  kept
          QE    PHE   95 - HN    TRP   49  12.30 +/- 1.49   1.849% *  0.2813% (0.65   0.02   0.02) =   0.006%
          HN    LEU   67 - HN    TRP   49  18.37 +/- 4.66   1.014% *  0.4263% (0.98   0.02   0.02) =   0.005%
          HD2   HIS   22 - HN    TRP   49  22.22 +/- 6.83   1.236% *  0.3482% (0.80   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    TRP   49  12.06 +/- 1.31   2.319% *  0.1084% (0.25   0.02   0.02) =   0.003%
          HN    THR   23 - HN    TRP   49  21.67 +/- 5.88   0.715% *  0.2987% (0.69   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    TRP   49  21.35 +/- 4.38   0.549% *  0.0861% (0.20   0.02   0.02) =   0.001%
          HD21  ASN   35 - HN    TRP   49  30.48 +/- 4.59   0.157% *  0.1632% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.14, residual support = 14.5:
        T HN    SER   48 - HN    TRP   49   2.64 +/- 0.14 100.000% *100.0000% (0.84 10.00   4.14  14.47) = 100.000%  kept
    Distance limit 3.79 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 = 0.94, support = 2.24, residual support = 6.8:
      O   HA    CYS   50 - HN    CYS   50   2.43 +/- 0.30  56.994% * 51.7804% (0.98  10.0   1.98   7.69) =  64.993%  kept
      O   HA    TRP   49 - HN    CYS   50   3.20 +/- 0.51  34.055% * 46.2460% (0.87  10.0   2.73   5.13) =  34.684%  kept
          HA    ALA   47 - HN    CYS   50   5.06 +/- 1.07   7.940% *  1.8435% (0.57   1.0   1.22   6.78) =   0.322%  kept
          HA1   GLY  109 - HN    CYS   50  15.96 +/- 3.45   0.419% *  0.0515% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  15.18 +/- 3.03   0.412% *  0.0239% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  22.20 +/- 4.89   0.100% *  0.0366% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.02 +/- 3.66   0.081% *  0.0182% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.859, support = 4.55, residual support = 80.1:
      O   HA    TRP   49 - HN    TRP   49   2.83 +/- 0.14  59.237% * 79.1297% (0.87  10.0   4.68  85.66) =  92.531%  kept
          HA    ALA   47 - HN    TRP   49   3.86 +/- 0.32  25.179% *  7.9525% (0.57   1.0   3.08  15.99) =   3.953%  kept
          HA    CYS   50 - HN    TRP   49   4.74 +/- 0.45  14.022% * 12.6951% (0.98   1.0   2.84   5.13) =   3.514%  kept
          HA1   GLY  109 - HN    TRP   49  16.82 +/- 3.26   0.486% *  0.0880% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    TRP   49  15.68 +/- 2.85   0.613% *  0.0409% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  21.61 +/- 5.60   0.246% *  0.0627% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.61 +/- 3.86   0.216% *  0.0311% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.31, residual support = 85.7:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  95.421% * 99.6863% (0.92  10.0   2.31  85.66) =  99.997%  kept
          HN    LEU   67 - HE1   TRP   49  17.80 +/- 6.27   1.806% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE1   TRP   49  22.64 +/- 6.69   0.818% *  0.1070% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HE1   TRP   49  11.64 +/- 1.67   1.363% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  21.85 +/- 6.03   0.472% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  29.24 +/- 6.07   0.119% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 1.37, residual support = 1.35:
      O   HA    CYS   50 - HN    GLY   51   2.75 +/- 0.36  77.138% * 94.9852% (0.98  10.0   1.38   1.37) =  99.018%  kept
          HA    TRP   49 - HN    GLY   51   5.71 +/- 1.05  15.693% *  4.5915% (0.87   1.0   0.75   0.02) =   0.974%  kept
          HA    ALA   47 - HN    GLY   51   7.62 +/- 1.20   5.420% *  0.0797% (0.57   1.0   0.02   0.02) =   0.006%
          HA1   GLY  109 - HN    GLY   51  15.95 +/- 3.96   0.828% *  0.1358% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL  108 - HN    GLY   51  15.74 +/- 3.32   0.658% *  0.0631% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY   51  23.38 +/- 4.40   0.165% *  0.0967% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.56 +/- 3.55   0.099% *  0.0480% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 2.75, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.66 +/- 0.31  92.378% * 99.5416% (0.92  10.0   2.75  10.15) =  99.995%  kept
          HA    ALA   57 - HN    GLY   51  10.40 +/- 1.37   2.087% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    GLY   51  12.66 +/- 4.04   1.853% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLY   51  18.15 +/- 4.96   1.675% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    GLY   51  16.26 +/- 3.38   0.607% *  0.0824% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLY   51  14.45 +/- 1.61   0.807% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  27.55 +/- 2.28   0.102% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  21.57 +/- 2.24   0.232% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.11 +/- 3.31   0.177% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  34.45 +/- 7.39   0.084% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.19, residual support = 31.8:
        T HN    ARG+  54 - HN    CYS   53   2.68 +/- 0.13  98.431% * 99.1159% (0.98 10.00   6.19  31.76) =  99.990%  kept
        T HN    ASP-  62 - HN    CYS   53  12.42 +/- 1.81   1.362% *  0.7343% (0.73 10.00   0.02   0.02) =   0.010%
          HN    LEU   31 - HN    CYS   53  25.53 +/- 2.58   0.129% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.38 +/- 1.43   0.078% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 6.19, residual support = 31.8:
        T HN    CYS   53 - HN    ARG+  54   2.68 +/- 0.13  96.684% * 99.6035% (0.85 10.00   6.19  31.76) =  99.997%  kept
        T HN    CYS   53 - HN    ASP-  62  12.42 +/- 1.81   1.338% *  0.1864% (0.16 10.00   0.02   0.02) =   0.003%
          HN    LEU   80 - HN    ARG+  54  17.54 +/- 2.77   0.567% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  18.56 +/- 3.42   0.490% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.84 +/- 2.14   0.092% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  26.14 +/- 3.77   0.133% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.87 +/- 2.37   0.302% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  20.61 +/- 4.21   0.394% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.511, support = 0.02, residual support = 0.02:
          HN    TRP   87 - HN    ARG+  54  19.19 +/- 3.69  16.110% * 29.7440% (0.69   0.02   0.02) =  38.647%  kept
          HD21  ASN   69 - HN    ARG+  54  23.08 +/- 3.71   8.266% * 31.3037% (0.72   0.02   0.02) =  20.869%  kept
          HD21  ASN   69 - HN    ASP-  62  14.29 +/- 1.72  32.737% *  5.8573% (0.14   0.02   0.02) =  15.465%  kept
          HN    GLN   17 - HN    ARG+  54  26.01 +/- 4.57   5.808% * 23.1904% (0.54   0.02   0.02) =  10.863%  kept
          HN    GLN   17 - HN    ASP-  62  17.05 +/- 5.12  25.160% *  4.3392% (0.10   0.02   0.02) =   8.805%  kept
          HN    TRP   87 - HN    ASP-  62  22.04 +/- 4.00  11.919% *  5.5654% (0.13   0.02   0.02) =   5.350%  kept
    Distance limit 3.93 A violated in 20 structures by 8.26 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 3.9, residual support = 20.9:
          HN    PHE   55 - HN    ILE   56   2.59 +/- 0.25  91.625% * 93.4647% (0.95   3.91  20.94) =  99.784%  kept
          HN    ASP-  62 - HN    ILE   56   9.05 +/- 1.32   3.123% *  5.8522% (0.31   0.75   0.02) =   0.213%  kept
          HN    ALA   88 - HN    ILE   56  19.98 +/- 3.47   0.366% *  0.4386% (0.87   0.02   0.02) =   0.002%
          HN    ALA   88 - HZ2   TRP   87   8.64 +/- 0.28   2.703% *  0.0190% (0.04   0.02   5.08) =   0.001%
          HN    LEU   31 - HN    ILE   56  24.29 +/- 2.39   0.157% *  0.1898% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  20.47 +/- 7.30   1.418% *  0.0082% (0.02   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.22 +/- 3.48   0.268% *  0.0208% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.94 +/- 3.33   0.340% *  0.0068% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 4.97, residual support = 31.1:
          HN    ALA   57 - HN    ILE   56   3.41 +/- 0.62  88.635% * 94.8965% (0.87   4.98  31.20) =  99.688%  kept
          HE21  GLN  116 - HN    ILE   56  12.17 +/- 3.38   5.723% *  4.4727% (0.80   0.25   0.02) =   0.303%  kept
          HE21  GLN   90 - HN    ILE   56  18.15 +/- 2.70   1.105% *  0.3937% (0.90   0.02   0.02) =   0.005%
          HN    ALA  120 - HN    ILE   56  14.53 +/- 1.42   1.426% *  0.1805% (0.41   0.02   0.02) =   0.003%
          HE21  GLN   90 - HZ2   TRP   87  15.21 +/- 1.95   1.402% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.61 +/- 3.78   0.829% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  24.76 +/- 4.57   0.399% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  23.97 +/- 4.89   0.480% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.33 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.158, support = 4.98, residual support = 122.5:
      O   HA    ILE   56 - HN    ILE   56   2.77 +/- 0.21  83.343% * 87.7797% (0.15  10.0   5.01 123.21) =  99.441%  kept
          HA    PRO   58 - HN    ILE   56   7.65 +/- 0.48   4.312% *  8.9645% (0.95   1.0   0.33   0.02) =   0.525%  kept
          HA    THR   46 - HN    ILE   56   9.16 +/- 2.02   4.313% *  0.4555% (0.80   1.0   0.02   0.02) =   0.027%
          HA    LEU   40 - HN    ILE   56  21.55 +/- 1.55   0.190% *  0.4752% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  22.70 +/- 5.39   0.212% *  0.4131% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  25.58 +/- 3.62   0.126% *  0.5490% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  28.06 +/- 3.91   0.113% *  0.5490% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HZ2   TRP   87  26.36 +/- 8.50   2.180% *  0.0238% (0.04   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  16.53 +/- 1.43   0.438% *  0.1126% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  18.87 +/- 1.85   0.315% *  0.1267% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  29.26 +/- 1.93   0.076% *  0.4131% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  19.25 +/- 5.61   0.586% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.81 +/- 1.68   0.606% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  25.24 +/- 8.69   0.526% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  14.79 +/- 4.96   1.531% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  22.16 +/- 4.19   0.282% *  0.0234% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  28.79 +/- 7.80   0.257% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  25.85 +/- 5.96   0.164% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.51 +/- 3.67   0.308% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  27.69 +/- 5.04   0.121% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 4.95, residual support = 31.0:
          HN    ILE   56 - HN    ALA   57   3.41 +/- 0.62  83.041% * 87.6848% (0.98   4.98  31.20) =  99.224%  kept
          HN    LYS+ 111 - HN    ALA   57  11.02 +/- 2.03   4.706% * 11.3135% (0.90   0.70   0.02) =   0.725%  kept
          HN    LEU   63 - HN    ALA   57   8.12 +/- 0.74   9.416% *  0.3313% (0.92   0.02   0.02) =   0.043%
          HN    ALA   84 - HN    ALA   57  19.43 +/- 4.24   1.363% *  0.3219% (0.90   0.02   0.02) =   0.006%
          HD21  ASN   28 - HN    ALA   57  22.68 +/- 3.81   0.500% *  0.1108% (0.31   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   57  20.61 +/- 3.78   0.767% *  0.0629% (0.18   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   57  28.47 +/- 4.01   0.208% *  0.1747% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.29 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.37, residual support = 20.3:
        T HN    PHE   60 - HN    PHE   59   2.67 +/- 0.31  91.368% * 97.7864% (0.47 10.00   4.37  20.32) =  99.977%  kept
        T HN    THR  118 - HN    PHE   59   9.19 +/- 0.58   2.652% *  0.6051% (0.29 10.00   0.02  12.35) =   0.018%
        T HN    GLU-  15 - HN    PHE   59  22.38 +/- 3.25   0.210% *  1.5803% (0.76 10.00   0.02   0.02) =   0.004%
          HN    GLN  116 - HN    PHE   59   7.49 +/- 1.13   5.770% *  0.0282% (0.14  1.00   0.02   0.50) =   0.002%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.258, support = 4.79, residual support = 56.5:
      O   HA    PHE   59 - HN    PHE   59   2.81 +/- 0.08  72.061% * 86.5274% (0.24  10.0   4.96  58.13) =  95.705%  kept
          HA    ILE   56 - HN    PHE   59   4.65 +/- 1.10  22.452% * 12.4046% (0.69   1.0   0.99  20.17) =   4.275%  kept
          HA    ASP- 113 - HN    PHE   59   9.47 +/- 2.09   4.064% *  0.2514% (0.69   1.0   0.02   0.02) =   0.016%
          HA    LEU  123 - HN    PHE   59  13.32 +/- 1.20   0.725% *  0.2245% (0.62   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    PHE   59  20.08 +/- 1.94   0.219% *  0.2779% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  23.70 +/- 3.14   0.156% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  17.69 +/- 1.86   0.323% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.45, residual support = 24.1:
      O   HA    ALA   57 - HN    ALA   57   2.67 +/- 0.22  92.340% * 99.2309% (0.76  10.0   4.45  24.14) =  99.992%  kept
          HB    THR   77 - HN    ALA   57  14.33 +/- 3.63   2.624% *  0.0788% (0.61   1.0   0.02   0.02) =   0.002%
          HA1   GLY   51 - HN    ALA   57  10.91 +/- 0.90   1.574% *  0.1273% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   57  11.19 +/- 2.24   1.850% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   57  18.66 +/- 3.34   0.419% *  0.1287% (0.99   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ALA   57  21.88 +/- 5.01   0.435% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  29.09 +/- 7.20   0.368% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  22.45 +/- 1.85   0.174% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.68 +/- 1.92   0.216% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 4.56, residual support = 31.1:
      O   HA    ILE   56 - HN    ALA   57   2.83 +/- 0.44  76.267% * 90.7677% (0.99  10.0   4.53  31.20) =  97.661%  kept
          HA    PRO   58 - HN    ALA   57   4.75 +/- 0.40  18.776% *  8.8160% (0.34   1.0   5.64  25.51) =   2.335%  kept
          HA    ASP- 113 - HN    ALA   57  10.57 +/- 2.46   3.535% *  0.0518% (0.57   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    ALA   57  16.47 +/- 1.74   0.495% *  0.0914% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  22.17 +/- 1.53   0.194% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  19.85 +/- 1.64   0.291% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.99 +/- 2.76   0.140% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  23.43 +/- 3.67   0.169% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  26.07 +/- 4.25   0.132% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 5.39, residual support = 41.8:
        T HN    PHE   60 - HN    ALA   61   2.71 +/- 0.22  95.014% * 97.7864% (0.61 10.00   5.39  41.82) =  99.979%  kept
        T HN    THR  118 - HN    ALA   61  11.31 +/- 1.45   2.363% *  0.6051% (0.38 10.00   0.02   0.02) =   0.015%
        T HN    GLU-  15 - HN    ALA   61  20.94 +/- 4.00   0.287% *  1.5803% (0.98 10.00   0.02   0.02) =   0.005%
          HN    GLN  116 - HN    ALA   61  10.18 +/- 1.49   2.335% *  0.0282% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.552, support = 4.15, residual support = 28.9:
          QD    PHE   60 - HN    ALA   61   3.46 +/- 0.93  48.489% * 49.2430% (0.57   4.77  41.82) =  68.443%  kept
          HN    PHE   59 - HN    ALA   61   4.24 +/- 0.50  32.101% * 24.4004% (0.41   3.25   0.89) =  22.453%  kept
          QE    PHE   59 - HN    ALA   61   6.71 +/- 1.22  12.169% * 25.9078% (0.80   1.77   0.89) =   9.037%  kept
          HN    LYS+  66 - HN    ALA   61   7.42 +/- 0.73   6.352% *  0.3578% (0.98   0.02   0.02) =   0.065%
          HN    LYS+  81 - HN    ALA   61  19.15 +/- 4.14   0.889% *  0.0910% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.16 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 = 0.922, support = 1.03, residual support = 0.982:
          HA    PRO   58 - HN    ALA   61   4.36 +/- 1.02  56.452% * 66.0205% (0.97   1.08   0.97) =  92.140%  kept
          HA    THR   46 - HN    ALA   61  10.06 +/- 2.51   7.899% * 19.9381% (0.45   0.70   0.32) =   3.894%  kept
          HA    ILE   56 - HN    ALA   61   6.75 +/- 1.21  27.821% *  5.4018% (0.41   0.21   2.11) =   3.715%  kept
          HA    GLN   17 - HN    ALA   61  16.78 +/- 6.28   1.634% *  3.0619% (0.38   0.13   0.02) =   0.124%  kept
          HA    LEU   40 - HN    ALA   61  16.27 +/- 1.48   1.423% *  1.2625% (1.00   0.02   0.02) =   0.044%
          HA    LEU  123 - HN    ALA   61  14.80 +/- 1.28   1.621% *  0.6642% (0.53   0.02   0.02) =   0.027%
          HA    GLU-  15 - HN    ALA   61  19.74 +/- 4.18   0.720% *  1.1943% (0.95   0.02   0.02) =   0.021%
          HA    SER   13 - HN    ALA   61  22.53 +/- 3.79   0.572% *  1.1943% (0.95   0.02   0.02) =   0.017%
          HA    ASN   35 - HN    ALA   61  22.20 +/- 2.42   0.606% *  0.4738% (0.38   0.02   0.02) =   0.007%
          HA    LYS+  99 - HN    ALA   61  19.14 +/- 1.95   0.825% *  0.3148% (0.25   0.02   0.02) =   0.006%
          HA    SER   37 - HN    ALA   61  23.37 +/- 1.66   0.427% *  0.4738% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.05 A violated in 0 structures by 0.25 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.484, support = 1.58, residual support = 1.15:
          HA    ALA   57 - HN    ALA   61   4.07 +/- 1.60  63.950% * 47.8804% (0.41   1.75   1.35) =  83.231%  kept
          HA    ASP-  44 - HN    ALA   61   8.97 +/- 1.83  13.761% * 43.2236% (0.87   0.75   0.17) =  16.168%  kept
          HB    THR   77 - HN    ALA   61  13.68 +/- 2.65   5.057% *  1.2266% (0.92   0.02   0.02) =   0.169%  kept
          HA1   GLY   51 - HN    ALA   61  13.66 +/- 1.49   3.713% *  0.9649% (0.73   0.02   0.02) =   0.097%
          HA    SER   85 - HN    ALA   61  21.93 +/- 4.78   2.782% *  1.2266% (0.92   0.02   0.02) =   0.093%
          HA    ILE  103 - HN    ALA   61  18.48 +/- 1.81   2.339% *  1.3025% (0.98   0.02   0.02) =   0.083%
          HA    GLU-  79 - HN    ALA   61  16.98 +/- 2.73   1.879% *  1.1917% (0.90   0.02   0.02) =   0.061%
          HA    THR   39 - HN    ALA   61  18.63 +/- 1.77   1.313% *  1.1099% (0.84   0.02   0.02) =   0.040%
          HA    MET   11 - HN    ALA   61  26.06 +/- 5.82   0.948% *  1.1099% (0.84   0.02   0.02) =   0.029%
          HA    ALA   12 - HN    ALA   61  24.46 +/- 4.69   1.701% *  0.2958% (0.22   0.02   0.02) =   0.014%
          HA    ASP-  86 - HN    ALA   61  22.93 +/- 4.26   1.546% *  0.2630% (0.20   0.02   0.02) =   0.011%
          HA    GLU-  14 - HN    ALA   61  21.75 +/- 3.65   1.010% *  0.2050% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.58 A violated in 2 structures by 0.39 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.3:
        T HN    ASP-  62 - HN    LEU   63   2.62 +/- 0.23  96.863% * 99.7221% (0.98 10.00   5.85  42.26) =  99.998%  kept
          HN    LEU   31 - HN    LEU   63  17.02 +/- 3.11   0.943% *  0.0962% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ARG+  54 - HN    LEU   63  13.22 +/- 1.30   0.864% *  0.0939% (0.92  1.00   0.02   0.02) =   0.001%
          HN    PHE   55 - HN    LEU   63  12.83 +/- 1.15   0.926% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  19.07 +/- 2.41   0.405% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.88, residual support = 54.8:
        T HN    ALA   64 - HN    LEU   63   2.71 +/- 0.25 100.000% *100.0000% (0.97 10.00   6.88  54.84) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.84, residual support = 29.3:
        T HN    LYS+  65 - HN    ALA   64   2.63 +/- 0.21 100.000% *100.0000% (0.97 10.00   4.84  29.28) = 100.000%  kept
    Distance limit 3.64 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 = 6.87, residual support = 54.8:
          HN    LEU   63 - HN    ALA   64   2.71 +/- 0.25  95.982% * 99.0122% (0.99   6.88  54.84) =  99.992%  kept
          HN    ILE   56 - HN    ALA   64  11.72 +/- 1.42   1.452% *  0.2749% (0.95   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HN    ALA   64  15.64 +/- 1.57   0.648% *  0.1763% (0.61   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA   64  16.92 +/- 3.52   0.616% *  0.1763% (0.61   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  19.42 +/- 3.47   0.528% *  0.1763% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  19.48 +/- 3.32   0.474% *  0.1195% (0.41   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  21.50 +/- 3.57   0.301% *  0.0647% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.84, residual support = 29.3:
        T HN    ALA   64 - HN    LYS+  65   2.63 +/- 0.21 100.000% *100.0000% (0.67 10.00   4.84  29.28) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.675, support = 6.08, residual support = 30.0:
          HN    LYS+  66 - HN    LYS+  65   2.67 +/- 0.21  84.311% * 92.9717% (0.68   6.12  30.19) =  99.192%  kept
          QD    PHE   60 - HN    LYS+  65   6.16 +/- 1.03   9.542% *  6.5758% (0.39   0.75   0.02) =   0.794%  kept
          QE    PHE   59 - HN    LYS+  65   8.72 +/- 0.80   2.702% *  0.2480% (0.55   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+  65   8.65 +/- 0.47   2.692% *  0.1273% (0.28   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    LYS+  65  20.10 +/- 4.42   0.753% *  0.0772% (0.17   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 1.1, residual support = 4.15:
          HA    ASP-  62 - HN    LYS+  65   3.80 +/- 0.37  95.426% * 96.5471% (0.67   1.10   4.15) =  99.940%  kept
          HB    THR   26 - HN    LYS+  65  17.90 +/- 4.39   1.688% *  1.8084% (0.68   0.02   0.02) =   0.033%
          HA    SER  117 - HN    LYS+  65  16.04 +/- 1.31   1.520% *  1.3249% (0.50   0.02   0.02) =   0.022%
          HA    SER   82 - HN    LYS+  65  23.27 +/- 5.11   1.366% *  0.3195% (0.12   0.02   0.02) =   0.005%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.12, residual support = 30.2:
        T HN    LYS+  65 - HN    LYS+  66   2.67 +/- 0.21 100.000% *100.0000% (0.97 10.00   6.12  30.19) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 118.9:
      O   HA    LYS+  66 - HN    LYS+  66   2.90 +/- 0.04  98.221% * 99.9389% (0.97  10.0   5.22 118.89) = 100.000%  kept
          HA    LYS+  81 - HN    LYS+  66  21.98 +/- 4.89   1.494% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  66  21.40 +/- 2.66   0.285% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.0777, support = 2.98, residual support = 50.7:
          HD22  ASN   28 - HE3   TRP   27   5.16 +/- 0.21  95.206% * 94.9377% (0.08   2.98  50.86) =  99.732%  kept
          HD22  ASN   28 - HN    LEU   67  17.74 +/- 3.64   4.794% *  5.0623% (0.61   0.02   0.02) =   0.268%  kept
    Distance limit 4.54 A violated in 0 structures by 0.61 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.99, residual support = 59.2:
      O   HA    LEU   67 - HN    LEU   67   2.52 +/- 0.27  96.578% * 99.9623% (1.00  10.0   5.99  59.16) = 100.000%  kept
          HA    ASP-  76 - HN    LEU   67  13.84 +/- 2.10   1.147% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  14.03 +/- 2.50   0.812% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  13.58 +/- 4.32   1.463% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 13.8:
      O   HA    LYS+  66 - HN    LEU   67   3.52 +/- 0.12  93.609% * 99.9186% (0.97  10.0   4.91  13.85) =  99.999%  kept
          HA    LYS+  81 - HN    LEU   67  21.84 +/- 4.33   1.653% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  19.75 +/- 2.64   0.636% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  16.79 +/- 2.96   1.203% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  14.57 +/- 0.87   1.388% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  18.96 +/- 6.45   1.511% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 25.2:
        T HN    VAL   70 - HN    ASN   69   2.38 +/- 0.57  97.863% * 99.9644% (0.87 10.00   5.26  25.17) =  99.999%  kept
          HN    LYS+  33 - HN    ASN   69  15.54 +/- 3.98   2.137% *  0.0356% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.35, residual support = 59.2:
      O   HA    ASN   69 - HN    ASN   69   2.78 +/- 0.17  97.987% * 99.8231% (0.76  10.0   5.35  59.15) =  99.999%  kept
          HA    VAL   43 - HN    ASN   69  12.32 +/- 1.64   1.674% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  20.12 +/- 2.57   0.339% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.11, residual support = 59.2:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.711% * 99.9103% (0.52  10.0 10.00   3.11  59.15) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.69 +/- 2.73   0.229% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  23.86 +/- 4.85   0.061% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.11, residual support = 59.2:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  98.461% * 99.7566% (0.52  10.0   3.11  59.15) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  14.18 +/- 6.97   0.794% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HD22  ASN   69  26.03 +/- 6.40   0.596% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  26.90 +/- 4.94   0.150% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.94, residual support = 48.3:
          QE    PHE   72 - HN    VAL   70   4.31 +/- 0.94  96.457% * 97.7986% (0.45   1.94  48.31) =  99.917%  kept
          HD22  ASN   28 - HN    VAL   70  15.99 +/- 3.03   3.543% *  2.2014% (0.98   0.02   0.02) =   0.083%
    Distance limit 4.53 A violated in 0 structures by 0.23 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 25.2:
        T HN    ASN   69 - HN    VAL   70   2.38 +/- 0.57  98.610% * 99.9392% (0.87 10.00   5.26  25.17) = 100.000%  kept
          HN    ASN   28 - HN    VAL   70  16.41 +/- 2.81   0.674% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLY  101 - HN    VAL   70  15.64 +/- 2.91   0.716% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 1.02, residual support = 1.02:
          HA    PRO   68 - HN    VAL   70   4.37 +/- 0.52 100.000% *100.0000% (0.99   1.02   1.02) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.22 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 79.4:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  86.489% * 99.2525% (0.84  10.0   3.89  79.45) =  99.986%  kept
          HA    VAL   18 - HN    VAL   70  12.06 +/- 6.70   4.418% *  0.1147% (0.97   1.0   0.02   0.02) =   0.006%
          HA    LYS+  33 - HN    VAL   70  14.96 +/- 3.55   1.998% *  0.1186% (1.00   1.0   0.02   0.02) =   0.003%
          HA    GLU-  29 - HN    VAL   70  16.88 +/- 3.63   1.418% *  0.1165% (0.98   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   70  14.77 +/- 2.71   0.906% *  0.0993% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    VAL   70  11.56 +/- 1.92   2.406% *  0.0235% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    VAL   70  15.59 +/- 3.23   1.038% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  19.54 +/- 4.30   0.511% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.14 +/- 3.41   0.192% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  26.20 +/- 4.28   0.381% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  21.50 +/- 2.40   0.243% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 138.8:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.05  95.216% * 99.9402% (1.00  10.0   6.62 138.77) =  99.999%  kept
          HA    VAL   43 - HN    LEU   71   9.36 +/- 1.36   3.370% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  13.77 +/- 3.49   1.414% *  0.0375% (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 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 5.9, residual support = 34.1:
      O   HA    VAL   70 - HN    LEU   71   2.25 +/- 0.08  83.562% * 95.5198% (1.00  10.0   5.92  34.22) =  99.671%  kept
          HA    VAL   18 - HN    LEU   71  10.93 +/- 6.50   6.342% *  4.0854% (0.69   1.0   1.25   0.02) =   0.324%  kept
          HB2   SER   37 - HN    LEU   71   9.41 +/- 2.00   2.182% *  0.0465% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.36 +/- 2.98   1.202% *  0.0829% (0.87   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LEU   71  11.92 +/- 8.19   5.025% *  0.0189% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  15.39 +/- 3.78   0.747% *  0.0955% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.26 +/- 2.97   0.686% *  0.0694% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    LEU   71  23.52 +/- 2.84   0.085% *  0.0579% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  20.29 +/- 3.39   0.169% *  0.0238% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.26, residual support = 3.02:
          HA    VAL   41 - HN    LEU   71   6.09 +/- 1.80  67.967% * 98.7740% (1.00   2.26   3.03) =  99.675%  kept
          HA    HIS  122 - HN    LEU   71  11.93 +/- 5.39  25.591% *  0.7307% (0.84   0.02   0.02) =   0.278%  kept
          HA    PHE   45 - HN    LEU   71  14.60 +/- 1.28   6.442% *  0.4953% (0.57   0.02   0.02) =   0.047%
    Distance limit 4.10 A violated in 12 structures by 1.81 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.672, support = 2.13, residual support = 1.56:
          HN    VAL   42 - HN    LEU   71   5.83 +/- 1.69  50.898% * 36.1674% (0.61   2.28   1.97) =  54.523%  kept
          HN    LEU   73 - HN    LEU   71   7.41 +/- 0.21  22.848% * 41.2324% (0.61   2.60   1.65) =  27.903%  kept
          HN    ILE   19 - HN    LEU   71  11.10 +/- 5.51  26.254% * 22.6002% (0.98   0.88   0.13) =  17.574%  kept
    Distance limit 4.63 A violated in 0 structures by 0.58 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 5.6, residual support = 90.3:
          QD    PHE   72 - HN    PHE   72   2.46 +/- 0.64  95.546% * 89.5083% (0.45   5.62  90.59) =  99.657%  kept
          HD22  ASN   69 - HN    PHE   72   9.74 +/- 0.97   2.861% * 10.0322% (0.73   0.39   0.02) =   0.334%  kept
          QE    PHE   45 - HN    PHE   72  10.99 +/- 1.50   1.594% *  0.4594% (0.65   0.02   0.02) =   0.009%
    Distance limit 3.86 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 = 5.05, residual support = 90.6:
      O   HA    PHE   72 - HN    PHE   72   2.91 +/- 0.04 100.000% *100.0000% (0.53  10.0   5.05  90.59) = 100.000%  kept
    Distance limit 4.28 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 = 5.73, residual support = 20.1:
      O   HA    LEU   71 - HN    PHE   72   2.31 +/- 0.16  92.759% * 99.9402% (1.00  10.0   5.74  20.08) =  99.998%  kept
          HA    VAL   43 - HN    PHE   72   7.26 +/- 1.62   5.290% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    PHE   72  11.26 +/- 5.15   1.951% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 0.606, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  15.47 +/- 2.29  19.599% * 29.8815% (0.73   0.02   0.02) =  35.420%  kept
          HA    ASP-  78 - HN    PHE   72  17.99 +/- 1.44  11.244% * 39.7133% (0.97   0.02   0.02) =  27.008%  kept
          HA    PHE   45 - HN    PHE   72  12.02 +/- 1.24  37.283% *  7.2068% (0.18   0.02   0.02) =  16.251%  kept
          HB    THR   23 - HN    PHE   72  16.24 +/- 3.08  19.464% *  9.1616% (0.22   0.02   0.02) =  10.785%  kept
          HA    LEU   80 - HN    PHE   72  17.88 +/- 2.02  12.410% * 14.0368% (0.34   0.02   0.02) =  10.536%  kept
    Distance limit 4.50 A violated in 20 structures by 6.20 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 0.78, residual support = 1.93:
          QE    PHE   60 - HN    LEU   73   7.44 +/- 3.59  42.587% * 38.4739% (0.49   1.05   2.78) =  61.532%  kept
          HD21  ASN   28 - HN    LEU   73  11.56 +/- 3.69  23.411% * 22.2057% (0.98   0.30   1.14) =  19.522%  kept
          HZ2   TRP   87 - HN    LEU   73  17.12 +/- 4.24  10.721% * 24.1915% (0.99   0.32   0.02) =   9.740%  kept
          HN    LEU   63 - HN    LEU   73  10.14 +/- 1.83  16.502% * 14.6644% (0.41   0.47   0.02) =   9.088%  kept
          HN    ILE   56 - HN    LEU   73  16.01 +/- 3.99   6.778% *  0.4646% (0.31   0.02   0.02) =   0.118%  kept
    Distance limit 4.62 A violated in 12 structures by 1.91 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.47, residual support = 172.2:
      O   HA    LEU   73 - HN    LEU   73   2.88 +/- 0.05 100.000% *100.0000% (0.95  10.0   6.47 172.23) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.61, residual support = 44.9:
      O   HA    PHE   72 - HN    LEU   73   2.57 +/- 0.25 100.000% *100.0000% (0.53  10.0   5.61  44.90) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.676, support = 2.03, residual support = 2.1:
          HA    LEU   71 - HN    LEU   73   6.29 +/- 0.17  24.813% * 61.9922% (0.84   2.23   1.65) =  52.977%  kept
          HA    VAL   43 - HN    LEU   73   6.07 +/- 2.66  38.247% * 32.9704% (0.53   1.88   2.81) =  43.429%  kept
          HA    ALA   20 - HN    LEU   73   9.37 +/- 6.42  27.975% *  3.4714% (0.14   0.77   0.02) =   3.345%  kept
          HA    ASN   69 - HN    LEU   73  11.62 +/- 0.73   4.641% *  1.4343% (0.28   0.16   0.02) =   0.229%  kept
          HA    HIS   22 - HN    LEU   73  12.17 +/- 3.44   4.324% *  0.1317% (0.20   0.02   0.02) =   0.020%
    Distance limit 4.39 A violated in 1 structures by 0.41 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.128, support = 3.89, residual support = 8.86:
        T HN    CYS   21 - HN    LYS+  74   7.45 +/- 7.43  49.340% * 95.8247% (0.12 10.00   3.95   9.01) =  98.361%  kept
        T HN    ILE  119 - HN    LYS+  74  16.12 +/- 3.35  22.214% *  3.0978% (0.40 10.00   0.02   0.02) =   1.432%  kept
          HN    SER   37 - HN    LYS+  74  16.66 +/- 1.49   8.511% *  0.5176% (0.67  1.00   0.02   0.02) =   0.092%
          HN    ILE   89 - HN    LYS+  74  18.09 +/- 2.09   9.903% *  0.4381% (0.57  1.00   0.02   0.02) =   0.090%
          HN    LYS+  38 - HN    LYS+  74  16.54 +/- 1.35  10.031% *  0.1218% (0.16  1.00   0.02   0.02) =   0.025%
    Distance limit 4.26 A violated in 6 structures by 2.03 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.573, support = 4.32, residual support = 19.2:
        T HN    ILE   19 - HN    LYS+  74   9.26 +/- 8.10  36.357% * 72.8875% (0.54 10.00   3.35   7.89) =  66.451%  kept
          HN    LEU   73 - HN    LYS+  74   4.26 +/- 0.36  49.826% * 26.7653% (0.64  1.00   6.26  41.69) =  33.442%  kept
          HN    VAL   42 - HN    LYS+  74   8.30 +/- 2.55  13.028% *  0.3284% (0.64  1.00   0.08   0.02) =   0.107%  kept
          HN    LYS+ 106 - HN    LYS+  74  17.58 +/- 2.53   0.789% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.71, residual support = 41.7:
      O   HA    LEU   73 - HN    LYS+  74   2.61 +/- 0.14 100.000% *100.0000% (0.68  10.0   5.71  41.69) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.11, residual support = 186.8:
      O   HA    LYS+  74 - HN    LYS+  74   2.88 +/- 0.03  93.505% * 99.4309% (0.20  10.0   6.11 186.77) =  99.991%  kept
          HA    VAL   41 - HN    LYS+  74   9.70 +/- 2.62   4.606% *  0.0708% (0.14   1.0   0.02   0.02) =   0.004%
          HA    MET   92 - HN    LYS+  74  15.54 +/- 2.77   1.010% *  0.3102% (0.61   1.0   0.02   0.02) =   0.003%
          HA    HIS  122 - HN    LYS+  74  17.06 +/- 3.33   0.878% *  0.1882% (0.37   1.0   0.02   0.02) =   0.002%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.651, support = 3.07, residual support = 4.91:
          HA    ALA   20 - HN    LYS+  74   7.49 +/- 8.13  62.635% * 83.3525% (0.68   3.30   5.35) =  89.354%  kept
          HA    LEU   71 - HN    LYS+  74   7.90 +/- 1.57  37.365% * 16.6475% (0.37   1.21   1.18) =  10.646%  kept
    Distance limit 3.79 A violated in 3 structures by 0.46 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.26, residual support = 31.7:
      O   HA    LYS+  74 - HN    VAL   75   2.20 +/- 0.02  98.623% * 99.7992% (0.61  10.0   6.26  31.73) =  99.998%  kept
          HA    MET   92 - HN    VAL   75  12.64 +/- 2.41   1.111% *  0.1642% (1.00   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    VAL   75  17.33 +/- 2.92   0.266% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 35.8:
      O   HA    ASP-  76 - HN    ASP-  76   2.89 +/- 0.05  98.749% * 99.5538% (0.22  10.0   3.72  35.85) =  99.994%  kept
          HA    LEU   67 - HN    ASP-  76  14.08 +/- 2.60   1.251% *  0.4462% (1.00   1.0   0.02   0.02) =   0.006%
    Distance limit 4.04 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   2.20 +/- 0.02  96.396% * 99.5919% (0.65  10.0   3.97  19.62) =  99.998%  kept
          HA    LYS+ 111 - HN    VAL  108   8.07 +/- 1.12   2.392% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  16.05 +/- 3.60   0.643% *  0.1058% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    VAL  108  13.89 +/- 1.20   0.415% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  108  21.05 +/- 3.03   0.153% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 5.55, residual support = 28.2:
        T HN    ASP-  78 - HN    THR   77   2.61 +/- 0.17  90.664% * 96.7273% (0.98 10.00   5.56  28.28) =  99.692%  kept
          HN    VAL   75 - HN    THR   77   6.01 +/- 0.79   8.318% *  3.2554% (0.61  1.00   1.09   0.73) =   0.308%  kept
          HN    LYS+ 112 - HN    THR   77  16.52 +/- 3.69   1.018% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.56, residual support = 28.3:
        T HN    THR   77 - HN    ASP-  78   2.61 +/- 0.17 100.000% *100.0000% (1.00 10.00   5.56  28.28) = 100.000%  kept
    Distance limit 3.79 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 = 20.7:
        T HN    GLU-  79 - HN    ASP-  78   2.53 +/- 0.13  97.694% * 99.9158% (0.99 10.00   3.87  20.70) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78   9.96 +/- 2.28   2.306% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.87, residual support = 20.7:
        T HN    ASP-  78 - HN    GLU-  79   2.53 +/- 0.13  97.201% * 99.3780% (0.56 10.00   3.87  20.70) =  99.982%  kept
          HN    VAL   75 - HN    GLU-  79   8.32 +/- 0.48   2.799% *  0.6220% (0.56  1.00   0.13   0.02) =   0.018%
    Distance limit 3.08 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 = 4.4, residual support = 56.3:
      O   HA    GLU-  79 - HN    GLU-  79   2.60 +/- 0.25  85.402% * 94.5684% (0.60  10.0   4.42  56.62) =  99.369%  kept
          HB    THR   77 - HN    GLU-  79   5.43 +/- 0.45  10.316% *  4.9460% (0.37   1.0   1.71   0.02) =   0.628%  kept
          HA    ALA   57 - HN    GLU-  79  15.84 +/- 4.31   1.089% *  0.0729% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLU-  79  11.39 +/- 1.45   1.229% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.07 +/- 0.86   0.910% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  16.09 +/- 3.19   0.505% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    GLU-  79  21.85 +/- 1.85   0.167% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.06 +/- 2.40   0.209% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.30 +/- 7.38   0.173% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0824, support = 3.85, residual support = 20.7:
      O   HA    ASP-  78 - HN    GLU-  79   3.53 +/- 0.10  87.994% * 98.7485% (0.08  10.0   3.85  20.70) =  99.906%  kept
          HA    PHE   45 - HN    GLU-  79   8.29 +/- 2.90  10.747% *  0.7232% (0.60   1.0   0.02   0.02) =   0.089%
          HA    VAL   41 - HN    GLU-  79  16.63 +/- 1.63   0.947% *  0.3839% (0.32   1.0   0.02   0.02) =   0.004%
          HA    HIS  122 - HN    GLU-  79  24.22 +/- 2.70   0.313% *  0.1444% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.2:
      O   HA    ASP-  76 - HN    THR   77   2.33 +/- 0.05  99.397% * 99.8354% (0.53  10.0   4.53  11.17) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  15.54 +/- 2.51   0.603% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 1.16, residual support = 3.09:
          HA    ALA   47 - HN    THR   77   7.73 +/- 4.68  42.161% * 88.7642% (0.57   1.20   3.19) =  96.996%  kept
          HA    CYS   50 - HN    THR   77  11.58 +/- 3.96  14.989% *  2.5678% (0.98   0.02   0.02) =   0.998%  kept
          HA    CYS   21 - HN    THR   77  14.98 +/- 5.38  14.639% *  1.7995% (0.69   0.02   0.02) =   0.683%  kept
          HA    TRP   49 - HN    THR   77  12.53 +/- 4.15   9.138% *  2.2724% (0.87   0.02   0.02) =   0.538%  kept
          HA1   GLY  109 - HN    THR   77  16.49 +/- 3.36   6.294% *  2.5282% (0.97   0.02   0.02) =   0.412%  kept
          HA    VAL  108 - HN    THR   77  13.87 +/- 3.13  10.628% *  1.1745% (0.45   0.02   0.02) =   0.324%  kept
          HA    LYS+ 102 - HN    THR   77  21.74 +/- 2.30   2.152% *  0.8936% (0.34   0.02   0.02) =   0.050%
    Distance limit 4.50 A violated in 12 structures by 2.22 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.354, support = 1.04, residual support = 9.21:
          HA    THR   46 - HN    THR   77   6.76 +/- 3.58  46.671% * 41.4575% (0.25   1.19  11.21) =  81.850%  kept
          HA    VAL   42 - HN    THR   77  12.96 +/- 1.45   6.946% * 50.8894% (0.87   0.42   0.20) =  14.953%  kept
          HA    GLN   90 - HN    THR   77  10.50 +/- 2.16  13.655% *  1.9202% (0.69   0.02   0.02) =   1.109%  kept
          HA    PHE   55 - HN    THR   77  15.93 +/- 2.85   8.239% *  2.4248% (0.87   0.02   0.02) =   0.845%  kept
          HA    ALA  110 - HN    THR   77  14.56 +/- 3.57  11.438% *  1.5826% (0.57   0.02   0.02) =   0.766%  kept
          HA    GLN   17 - HN    THR   77  20.28 +/- 8.27  12.090% *  0.8628% (0.31   0.02   0.02) =   0.441%  kept
          HA    SER   37 - HN    THR   77  25.02 +/- 1.42   0.961% *  0.8628% (0.31   0.02   0.02) =   0.035%
    Distance limit 4.40 A violated in 9 structures by 1.44 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.763, support = 4.02, residual support = 37.4:
      O   HB    THR   77 - HN    THR   77   3.28 +/- 0.36  75.964% * 97.2696% (0.76  10.0   4.02  37.47) =  99.676%  kept
          HA    GLU-  79 - HN    THR   77   6.43 +/- 0.73  11.816% *  1.9421% (0.28   1.0   1.10   0.02) =   0.310%  kept
          HA    ASP-  44 - HN    THR   77   8.34 +/- 1.99   5.936% *  0.1063% (0.84   1.0   0.02   0.02) =   0.009%
          HA    SER   85 - HN    THR   77  13.04 +/- 1.31   1.458% *  0.0973% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.41 +/- 1.11   1.049% *  0.1019% (0.80   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    THR   77  27.61 +/- 6.86   0.382% *  0.1104% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  18.96 +/- 2.10   0.463% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    THR   77  14.28 +/- 3.57   1.586% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  26.15 +/- 6.34   0.279% *  0.1063% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  24.03 +/- 5.76   0.319% *  0.0924% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  21.08 +/- 2.38   0.399% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  20.18 +/- 1.74   0.350% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 5.3, residual support = 41.0:
        T HN    LEU   80 - HN    LYS+  81   3.64 +/- 0.55  81.719% * 94.5636% (0.65 10.00   5.33  41.33) =  99.134%  kept
          HN    SER   85 - HN    LYS+  81   6.51 +/- 0.40  16.186% *  4.1370% (0.45  1.00   1.26   0.02) =   0.859%  kept
        T HN    ALA   34 - HN    LYS+  81  24.65 +/- 5.96   0.357% *  1.1171% (0.76 10.00   0.02   0.02) =   0.005%
          HN    CYS   53 - HN    LYS+  81  17.59 +/- 3.13   1.242% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
          HN    GLN   32 - HN    LYS+  81  23.86 +/- 7.44   0.496% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 19.9:
        T HN    SER   82 - HN    LYS+  81   2.69 +/- 0.15  97.371% * 99.8569% (1.00 10.00   4.78  19.91) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  10.93 +/- 1.09   1.692% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    LYS+  81  26.50 +/- 9.97   0.588% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  23.61 +/- 4.52   0.217% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  25.29 +/- 3.09   0.133% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.691, support = 5.77, residual support = 40.6:
      O   HA    LEU   80 - HN    LYS+  81   2.45 +/- 0.22  81.220% * 90.4255% (0.69  10.0   5.84  41.33) =  98.238%  kept
          HA    ASP-  78 - HN    LYS+  81   5.89 +/- 1.49  14.049% *  9.3396% (0.95   1.0   1.50   0.44) =   1.755%  kept
          HA    THR   23 - HN    LYS+  81  17.36 +/- 9.55   2.904% *  0.1290% (0.98   1.0   0.02   0.02) =   0.005%
          HB    THR   23 - HN    LYS+  81  19.07 +/- 9.63   1.707% *  0.0693% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  24.26 +/- 3.59   0.121% *  0.0366% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.4, residual support = 111.1:
      O   HA    LYS+  81 - HN    LYS+  81   2.77 +/- 0.06  97.446% * 99.7055% (0.99  10.0   5.40 111.15) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  19.60 +/- 4.04   1.268% *  0.0730% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  81  20.42 +/- 8.21   0.889% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  30.02 +/- 4.73   0.097% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  32.86 +/- 4.54   0.075% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  22.15 +/- 2.54   0.224% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.18, residual support = 34.7:
      O   HA    SER   82 - HN    SER   82   2.77 +/- 0.04  96.359% * 98.7108% (0.25  10.0   4.18  34.71) =  99.989%  kept
          HA    GLU-  25 - HN    SER   82  20.84 +/-10.47   1.949% *  0.3170% (0.80   1.0   0.02   0.02) =   0.006%
          HA    CYS   53 - HN    SER   82  19.19 +/- 3.22   0.403% *  0.3880% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    SER   82  22.74 +/- 8.51   0.395% *  0.3820% (0.97   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    SER   82  22.68 +/- 9.54   0.754% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  25.63 +/- 3.14   0.140% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.323, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  24.01 +/- 4.24  40.793% * 67.5049% (0.41   0.02   0.02) =  58.870%  kept
          HB    THR   23 - HN    SER   82  20.21 +/- 9.73  59.207% * 32.4951% (0.20   0.02   0.02) =  41.130%  kept
    Distance limit 4.38 A violated in 20 structures by 13.34 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 = 19.1:
        T HN    VAL   83 - HN    SER   82   2.70 +/- 0.13  99.471% * 99.9274% (1.00 10.00   5.62  19.09) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  17.46 +/- 3.43   0.529% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 4.78, residual support = 19.9:
          HN    LYS+  81 - HN    SER   82   2.69 +/- 0.15  97.029% * 99.3724% (1.00   4.78  19.91) =  99.994%  kept
          QD    PHE   60 - HN    SER   82  16.94 +/- 3.68   1.109% *  0.3335% (0.80   0.02   0.02) =   0.004%
          HE3   TRP   27 - HN    SER   82  18.70 +/- 7.61   1.142% *  0.0927% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  22.97 +/- 4.55   0.340% *  0.1285% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  20.12 +/- 3.62   0.380% *  0.0729% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.49, residual support = 39.3:
        T HN    ALA   84 - HN    VAL   83   2.64 +/- 0.09  98.753% * 99.6823% (0.75 10.00   7.49  39.31) =  99.999%  kept
          HN    LYS+ 111 - HN    VAL   83  20.17 +/- 3.14   0.286% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  19.86 +/- 3.50   0.327% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  26.73 +/- 8.41   0.278% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.81 +/- 3.98   0.356% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 19.1:
        T HN    SER   82 - HN    VAL   83   2.70 +/- 0.13  96.259% * 99.8569% (0.75 10.00   5.62  19.09) =  99.998%  kept
          HN    GLN   90 - HN    VAL   83   9.86 +/- 1.15   2.387% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    VAL   83  26.42 +/- 9.74   0.784% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  21.27 +/- 5.51   0.417% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  24.50 +/- 2.94   0.153% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.81 +/- 0.12  97.816% * 99.8725% (0.99 10.00   3.77  20.68) =  99.999%  kept
          HN    THR   94 - HN    ALA   84  11.77 +/- 1.82   1.592% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  24.17 +/- 6.85   0.356% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  24.78 +/- 5.35   0.236% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.49, residual support = 39.3:
        T HN    VAL   83 - HN    ALA   84   2.64 +/- 0.09  99.267% * 99.9274% (1.00 10.00   7.49  39.31) =  99.999%  kept
          HN    CYS   50 - HN    ALA   84  15.40 +/- 3.21   0.733% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.8, support = 2.24, residual support = 5.51:
          HA    LYS+  81 - HN    ALA   84   3.26 +/- 0.31  95.055% * 95.6548% (0.80   2.24   5.52) =  99.962%  kept
          HA    ARG+  54 - HN    ALA   84  18.83 +/- 4.09   2.040% *  1.0307% (0.97   0.02   0.02) =   0.023%
          HA    ASN   28 - HN    ALA   84  20.87 +/- 7.74   1.419% *  0.5198% (0.49   0.02   0.02) =   0.008%
          HA    LEU  115 - HN    ALA   84  20.39 +/- 2.22   0.455% *  0.4788% (0.45   0.02   0.02) =   0.002%
          HA    ALA  124 - HN    ALA   84  32.44 +/- 3.98   0.115% *  1.0656% (1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - HN    ALA   84  30.06 +/- 4.26   0.159% *  0.7336% (0.69   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    ALA   84  25.18 +/- 4.44   0.296% *  0.3296% (0.31   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   84  24.99 +/- 5.79   0.461% *  0.1870% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.533, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  18.34 +/- 2.98  26.500% * 27.0775% (0.70   0.02   0.02) =  39.614%  kept
          HA    GLU-  25 - HN    VAL   83  20.74 +/- 9.63  24.488% * 13.1508% (0.34   0.02   0.02) =  17.779%  kept
          HA    ILE   19 - HN    VAL   83  22.16 +/- 7.88  15.479% * 20.1488% (0.52   0.02   0.02) =  17.218%  kept
          HA    THR   26 - HN    VAL   83  22.38 +/- 8.76  12.640% * 21.2999% (0.55   0.02   0.02) =  14.864%  kept
          HA    GLU- 114 - HN    VAL   83  24.17 +/- 3.08  10.237% * 11.0089% (0.28   0.02   0.02) =   6.222%  kept
          HA1   GLY  101 - HN    VAL   83  24.32 +/- 6.94  10.657% *  7.3142% (0.19   0.02   0.02) =   4.303%  kept
    Distance limit 4.37 A violated in 20 structures by 9.06 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 = 5.03:
        T HN    SER   85 - HN    VAL   83   4.38 +/- 0.08  56.092% * 97.9507% (0.58 10.00   2.59   5.10) =  98.792%  kept
          HN    LEU   80 - HN    VAL   83   5.03 +/- 0.87  40.706% *  1.6395% (0.26  1.00   0.75   0.02) =   1.200%  kept
        T HN    CYS   53 - HN    VAL   83  18.27 +/- 3.03   1.087% *  0.2245% (0.13 10.00   0.02   0.02) =   0.004%
          HN    GLN   32 - HN    VAL   83  23.17 +/- 7.90   1.323% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  23.86 +/- 6.31   0.792% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.46 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 = 0.866, support = 4.15, residual support = 10.1:
          HN    SER   82 - HN    ALA   84   3.93 +/- 0.15  81.905% * 95.0514% (0.87   4.19  10.21) =  99.048%  kept
          HN    GLN   90 - HN    ALA   84   7.41 +/- 1.14  16.319% *  4.5631% (0.69   0.25   0.02) =   0.947%  kept
          HN    ILE  103 - HN    ALA   84  21.55 +/- 4.47   0.799% *  0.2549% (0.49   0.02   0.02) =   0.003%
          HN    GLY   16 - HN    ALA   84  27.17 +/- 9.14   0.978% *  0.1306% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.45 +/- 0.12  99.117% * 97.4523% (0.80   3.33  13.43) =  99.996%  kept
          HN    GLN   30 - HN    SER   85  24.26 +/- 7.12   0.220% *  0.6345% (0.87   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  25.31 +/- 5.08   0.153% *  0.5311% (0.73   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  30.54 +/- 7.31   0.117% *  0.6345% (0.87   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  24.52 +/- 7.94   0.251% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  99 - HN    SER   85  23.93 +/- 3.79   0.143% *  0.4732% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.81 +/- 0.12  93.875% * 97.8179% (0.90   3.77  20.68) =  99.985%  kept
          HN    ILE   56 - HN    SER   85  20.02 +/- 4.05   0.593% *  0.5672% (0.98   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    SER   85  20.79 +/- 9.04   1.765% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HN    SER   85   9.64 +/- 0.91   2.792% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HN    LEU   63 - HN    SER   85  22.63 +/- 4.45   0.459% *  0.5342% (0.92   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    SER   85  19.77 +/- 2.45   0.311% *  0.5190% (0.90   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    SER   85  29.25 +/- 7.85   0.205% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 5.09:
        T HN    VAL   83 - HN    SER   85   4.38 +/- 0.08  95.103% * 99.9526% (0.87 10.00   2.59   5.10) =  99.998%  kept
          HN    CYS   50 - HN    SER   85  16.60 +/- 3.85   4.897% *  0.0474% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.15 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.82 +/- 0.03  77.100% * 92.5441% (0.99  10.0   3.65  18.03) =  98.601%  kept
          HA    ASP-  86 - HN    SER   85   4.92 +/- 0.12  14.701% *  6.8475% (0.45   1.0   3.27  13.43) =   1.391%  kept
          HB    THR   77 - HN    SER   85   9.68 +/- 2.07   3.221% *  0.0925% (0.99   1.0   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    SER   85  10.10 +/- 0.88   1.923% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    SER   85  15.11 +/- 1.95   0.585% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    SER   85  19.05 +/- 4.31   0.898% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  22.12 +/- 3.87   0.233% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.69 +/- 5.56   0.866% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  34.06 +/- 8.47   0.135% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  26.25 +/- 2.76   0.108% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.12 +/- 7.70   0.103% *  0.0454% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  30.94 +/- 7.41   0.127% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.583, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    SER   85  18.29 +/- 3.42  22.074% * 14.2963% (0.61   0.02   0.02) =  29.761%  kept
          HA    THR   26 - HN    SER   85  25.17 +/- 7.96   8.143% * 23.1039% (0.98   0.02   0.02) =  17.742%  kept
          HA    GLU- 114 - HN    SER   85  24.42 +/- 2.55   8.125% * 17.1158% (0.73   0.02   0.02) =  13.115%  kept
          HA1   GLY  101 - HN    SER   85  26.01 +/- 5.75   7.233% * 13.3446% (0.57   0.02   0.02) =   9.103%  kept
          HA    ASN   28 - HN    SER   85  22.58 +/- 8.13  14.372% *  5.2476% (0.22   0.02   0.02) =   7.112%  kept
          HA    ILE   19 - HN    SER   85  24.94 +/- 7.04   9.318% *  8.0401% (0.34   0.02   0.02) =   7.065%  kept
          HA    LEU  115 - HN    SER   85  21.88 +/- 2.42  11.032% *  5.8774% (0.25   0.02   0.02) =   6.114%  kept
          HA    GLU-  25 - HN    SER   85  23.38 +/- 9.06  14.492% *  4.1279% (0.18   0.02   0.02) =   5.641%  kept
          HA    ALA   34 - HN    SER   85  26.97 +/- 4.57   5.211% *  8.8463% (0.38   0.02   0.02) =   4.347%  kept
    Distance limit 3.92 A violated in 20 structures by 9.94 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.45 +/- 0.12  98.913% * 99.7141% (0.99 10.00   3.33  13.43) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  25.94 +/- 5.80   0.147% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  25.33 +/- 7.44   0.226% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  13.38 +/- 1.77   0.715% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.936, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.74 +/- 0.11  95.111% * 73.8807% (0.95   3.71  22.70) =  98.440%  kept
          HE3   TRP   87 - HN    ASP-  86   7.70 +/- 0.38   4.393% * 25.3107% (0.31   3.90  22.70) =   1.557%  kept
          HD21  ASN   69 - HN    ASP-  86  26.58 +/- 4.51   0.264% *  0.3886% (0.92   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    ASP-  86  28.25 +/- 8.61   0.233% *  0.4200% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 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 +/- 0.03  60.798% * 79.5813% (0.87  10.0   4.16  42.45) =  91.489%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.02  28.172% * 14.1556% (0.15  10.0   3.26  13.43) =   7.541%  kept
          HA    TRP   87 - HN    ASP-  86   5.25 +/- 0.08   8.595% *  5.9605% (0.28   1.0   4.67  22.70) =   0.969%  kept
          HB    THR   77 - HN    ASP-  86  10.51 +/- 1.90   1.485% *  0.0142% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  23.49 +/- 4.24   0.136% *  0.0885% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  30.82 +/- 7.55   0.125% *  0.0847% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  14.99 +/- 1.90   0.439% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  33.13 +/- 7.87   0.103% *  0.0766% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  34.14 +/- 8.59   0.146% *  0.0204% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.74 +/- 0.11  98.533% * 98.4399% (1.00   3.71  22.70) =  99.995%  kept
          HN    GLN   30 - HN    TRP   87  24.01 +/- 6.33   0.345% *  0.5305% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    TRP   87  24.49 +/- 7.03   0.358% *  0.3861% (0.73   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    TRP   87  30.47 +/- 7.09   0.237% *  0.2798% (0.53   0.02   0.02) =   0.001%
          HN    LYS+  99 - HN    TRP   87  22.02 +/- 4.35   0.320% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  24.10 +/- 4.65   0.207% *  0.1996% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.813, support = 4.06, residual support = 67.7:
      O   HA    TRP   87 - HN    TRP   87   2.93 +/- 0.02  64.556% * 78.1363% (0.90  10.0   4.16  74.38) =  87.003%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.04  34.685% * 21.7248% (0.25  10.0   3.39  22.70) =  12.997%  kept
          HA    LEU  104 - HN    TRP   87  22.26 +/- 4.00   0.213% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  22.63 +/- 3.30   0.188% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  30.89 +/- 7.06   0.187% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  33.30 +/- 7.50   0.171% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.295, support = 1.89, residual support = 74.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  87.620% * 73.5200% (0.28  10.0   1.87  74.38) =  96.255%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.770% * 25.5867% (0.73   1.0   2.49  74.38) =   3.735%  kept
          HN    ALA   91 - HE1   TRP   87  10.96 +/- 0.94   1.316% *  0.2800% (0.99   1.0   0.02   0.02) =   0.006%
          HN    TRP   27 - HE1   TRP   87  20.16 +/- 6.80   0.717% *  0.2534% (0.90   1.0   0.02   0.02) =   0.003%
          HN    ALA   61 - HE1   TRP   87  18.72 +/- 3.15   0.359% *  0.2727% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  23.10 +/- 4.86   0.218% *  0.0872% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.695, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HE1   TRP   87  15.99 +/- 8.07  53.779% * 80.1831% (0.80   0.02   0.02) =  82.480%  kept
          HZ    PHE   72 - HE1   TRP   87  17.35 +/- 3.18  46.221% * 19.8169% (0.20   0.02   0.02) =  17.520%  kept
    Distance limit 4.30 A violated in 16 structures by 8.79 A, eliminated.
    Peak unassigned.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.314, support = 2.94, residual support = 4.77:
      O   HA    TRP   87 - HN    ALA   88   3.26 +/- 0.10  32.121% * 88.7494% (0.28  10.0   3.09   5.08) =  93.726%  kept
          HA    ASP-  86 - HN    ALA   88   4.05 +/- 0.30  18.556% * 10.1485% (0.87   1.0   0.73   0.02) =   6.191%  kept
          HA    SER   85 - HN    ALA   88   2.90 +/- 0.33  46.946% *  0.0493% (0.15   1.0   0.02   0.02) =   0.076%
          HB    THR   77 - HN    ALA   88  10.86 +/- 2.13   1.244% *  0.0493% (0.15   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  15.02 +/- 2.44   0.698% *  0.0632% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    ALA   88  23.40 +/- 3.53   0.109% *  0.3080% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  32.34 +/- 6.89   0.089% *  0.2947% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ALA   88  34.65 +/- 7.50   0.096% *  0.2666% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ALA   88  35.64 +/- 8.32   0.142% *  0.0711% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.846, residual support = 16.4:
          HA    TRP   87 - HN    ILE   89   4.24 +/- 0.24  75.565% * 76.8602% (0.61   0.89  17.50) =  93.901%  kept
          HA    ASP-  86 - HN    ILE   89   6.50 +/- 0.38  22.164% * 16.8693% (0.53   0.22   0.02) =   6.045%  kept
          HA    LEU  104 - HN    ILE   89  22.38 +/- 3.15   0.630% *  2.7042% (0.95   0.02   0.02) =   0.028%
          HA    GLU-  14 - HN    ILE   89  31.52 +/- 6.22   0.408% *  1.7339% (0.61   0.02   0.02) =   0.011%
          HA    ALA   12 - HN    ILE   89  33.87 +/- 6.87   0.433% *  1.3915% (0.49   0.02   0.02) =   0.010%
          HA    PHE   59 - HN    ILE   89  21.61 +/- 3.05   0.801% *  0.4411% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.74, residual support = 31.9:
          HN    ALA   91 - HN    GLN   90   2.68 +/- 0.52  95.951% * 95.3975% (0.92   6.75  31.98) =  99.871%  kept
          HE3   TRP   87 - HN    GLN   90   9.57 +/- 0.85   2.831% *  4.0674% (0.97   0.28   0.02) =   0.126%  kept
          HN    ALA   61 - HN    GLN   90  18.05 +/- 2.99   0.665% *  0.2956% (0.97   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    GLN   90  23.20 +/- 5.72   0.403% *  0.1858% (0.61   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    GLN   90  28.56 +/- 7.08   0.150% *  0.0536% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 5.34, residual support = 90.0:
      O   HA    GLN   90 - HN    GLN   90   2.62 +/- 0.29  82.957% * 68.5512% (0.34  10.0   5.49  94.81) =  92.283%  kept
          HA    ALA   91 - HN    GLN   90   4.93 +/- 0.39  15.338% * 30.9950% (0.87   1.0   3.56  31.98) =   7.715%  kept
          HA    VAL  107 - HN    GLN   90  16.84 +/- 1.36   0.364% *  0.1939% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    GLN   90  13.89 +/- 2.01   0.697% *  0.0901% (0.45   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    GLN   90  23.02 +/- 5.26   0.229% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  17.65 +/- 2.97   0.415% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 94.8:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.960% * 99.0596% (0.92  10.0 10.00   1.00  94.81) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  34.24 +/- 6.75   0.021% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  32.77 +/- 6.47   0.019% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 94.8:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.264% * 99.4024% (0.76  10.0   1.00  94.81) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   7.90 +/- 0.97   1.252% *  0.0646% (0.25   1.0   0.02   3.33) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  13.11 +/- 5.30   1.112% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.09 +/- 3.05   0.065% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  34.55 +/- 6.02   0.019% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  26.54 +/- 6.03   0.048% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  17.72 +/- 1.66   0.102% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  34.24 +/- 6.75   0.021% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  27.98 +/- 2.45   0.025% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  29.22 +/- 3.98   0.029% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  28.91 +/- 4.88   0.033% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.54 +/- 5.66   0.031% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.68 +/- 0.52  90.755% * 99.6698% (0.95 10.00   6.75  31.98) =  99.997%  kept
          HN    GLY  109 - HN    ALA   91  11.28 +/- 1.95   1.874% *  0.0554% (0.53  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.11 +/- 1.67   2.395% *  0.0235% (0.22  1.00   0.02   0.02) =   0.001%
        T HN    GLN   90 - HN    TRP   27  23.20 +/- 5.72   0.377% *  0.1232% (0.12 10.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    ALA   91  22.16 +/- 2.90   0.220% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  19.60 +/- 9.34   3.552% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.65 +/- 4.12   0.561% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  23.11 +/- 3.22   0.266% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.533, support = 0.02, residual support = 4.4:
          HA    LEU   73 - HN    ALA   91  17.85 +/- 2.84  32.936% * 89.0027% (0.65   0.02   0.02) =  79.898%  kept
          HA    LEU   73 - HN    TRP   27  10.68 +/- 4.63  67.064% * 10.9973% (0.08   0.02  21.83) =  20.102%  kept
    Distance limit 4.49 A violated in 19 structures by 5.08 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 3.38, residual support = 25.5:
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.02  45.039% * 89.2967% (1.00  10.0   3.12  14.42) =  88.067%  kept
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.04  52.089% * 10.4606% (0.12  10.0   5.29 107.21) =  11.931%  kept
          HA    PRO   52 - HN    ALA   91  13.63 +/- 3.67   0.917% *  0.0305% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ALA   91  15.81 +/- 1.00   0.296% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    ALA   91  22.58 +/- 5.26   0.201% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  12.43 +/- 2.23   0.725% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  22.21 +/- 6.35   0.335% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.30 +/- 3.64   0.222% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  26.53 +/- 3.54   0.070% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.58 +/- 2.96   0.107% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 14.6:
          HN    ALA   91 - HN    MET   92   4.18 +/- 0.31  82.516% * 98.2778% (0.99   3.66  14.60) =  99.938%  kept
          HE3   TRP   87 - HN    MET   92  12.12 +/- 1.52   3.893% *  0.3939% (0.73   0.02   0.02) =   0.019%
          HN    ALA   61 - HN    MET   92  14.50 +/- 2.93   2.791% *  0.5235% (0.97   0.02   0.02) =   0.018%
          HD1   TRP   87 - HN    MET   92  10.12 +/- 2.42   9.234% *  0.1508% (0.28   0.02   0.02) =   0.017%
          HN    TRP   27 - HN    MET   92  21.64 +/- 5.59   1.177% *  0.4865% (0.90   0.02   0.02) =   0.007%
          HN    THR   39 - HN    MET   92  25.58 +/- 2.31   0.390% *  0.1674% (0.31   0.02   0.02) =   0.001%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.51, residual support = 62.5:
      O   HA    MET   92 - HN    MET   92   2.84 +/- 0.06  88.886% * 99.1845% (0.25  10.0   4.52  62.47) =  99.986%  kept
          HA    PHE   45 - HN    MET   92   7.30 +/- 1.84  10.519% *  0.0992% (0.25   1.0   0.02   0.18) =   0.012%
          HA    VAL   41 - HN    MET   92  18.24 +/- 2.11   0.425% *  0.3185% (0.80   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    MET   92  23.47 +/- 1.91   0.171% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.66, residual support = 14.6:
      O   HA    ALA   91 - HN    MET   92   2.38 +/- 0.21  96.658% * 99.6892% (0.80  10.0   3.66  14.60) =  99.998%  kept
          HA    PRO   52 - HN    MET   92  12.54 +/- 3.03   1.056% *  0.0855% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  12.83 +/- 0.88   0.735% *  0.0805% (0.65   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    MET   92  21.12 +/- 5.18   0.288% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  12.24 +/- 2.18   1.263% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.4, residual support = 28.1:
        T HN    PHE   45 - HN    THR   94   2.93 +/- 0.71  88.044% * 97.6795% (0.95 10.00   3.41  28.22) =  99.678%  kept
          HN    ALA  110 - HN    THR   94   7.42 +/- 1.65  11.956% *  2.3205% (1.00  1.00   0.45   0.02) =   0.322%  kept
    Distance limit 4.31 A violated in 0 structures by 0.01 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   9.20 +/- 0.67 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.42 A violated in 20 structures by 4.79 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 = 15.5:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.03  97.716% * 99.9112% (0.22  10.0   4.08  15.52) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.32 +/- 2.61   2.284% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.94, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.06 +/- 0.16  77.273% * 54.6147% (1.00   0.02   0.02) =  86.103%  kept
          HA    LYS+  74 - HN    THR   94  10.25 +/- 1.43  19.234% * 33.1992% (0.61   0.02   0.02) =  13.028%  kept
          HA    HIS  122 - HN    THR   94  18.18 +/- 2.61   3.494% * 12.1862% (0.22   0.02   0.02) =   0.869%  kept
    Distance limit 3.82 A violated in 20 structures by 2.17 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 = 41.8:
          HN    VAL  107 - HN    PHE   95   3.56 +/- 0.47  98.086% * 99.0525% (0.97   2.00  41.84) =  99.981%  kept
          HN    GLY   51 - HN    PHE   95  15.49 +/- 2.44   1.914% *  0.9475% (0.92   0.02   0.02) =   0.019%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   2.83 +/- 0.61  93.756% * 99.3372% (0.87   3.86  73.48) =  99.980%  kept
          HN    ALA   47 - HN    PHE   95  11.07 +/- 1.45   2.440% *  0.5148% (0.87   0.02   0.02) =   0.013%
          QE    PHE   72 - HN    PHE   95   9.86 +/- 1.81   3.804% *  0.1480% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.02 100.000% *100.0000% (1.00  10.0   4.33  73.48) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.9:
      O   HA    THR   94 - HN    PHE   95   2.32 +/- 0.19  97.293% * 99.8515% (0.65  10.0   3.16  14.87) =  99.998%  kept
          HA    LYS+  74 - HN    PHE   95  11.83 +/- 1.74   1.105% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.28 +/- 0.30   1.602% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.98, residual support = 11.9:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.03 100.000% *100.0000% (0.95  10.0   3.98  11.94) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.4:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  93.832% * 99.9800% (0.94  10.0   4.09 115.38) =  99.999%  kept
          HA    PHE   72 - HN    MET   96   8.67 +/- 1.99   6.168% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.89, residual support = 59.1:
        T HN    ASP- 105 - HN    PHE   97   3.57 +/- 0.55  98.915% * 99.9802% (1.00 10.00   4.89  59.06) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  18.56 +/- 3.04   1.085% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.07, residual support = 62.2:
          QD    PHE   97 - HN    PHE   97   3.00 +/- 0.85  95.862% * 98.9862% (0.80   4.07  62.25) =  99.978%  kept
          HZ3   TRP   87 - HN    PHE   97  15.31 +/- 5.93   2.195% *  0.5272% (0.87   0.02   0.02) =   0.012%
          HE3   TRP   49 - HN    PHE   97  21.21 +/- 3.75   1.943% *  0.4866% (0.80   0.02   0.02) =   0.010%
    Distance limit 3.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.0, residual support = 11.0:
          HA    LYS+ 106 - HN    PHE   97   3.43 +/- 0.57 100.000% *100.0000% (0.98   3.00  10.99) = 100.000%  kept
    Distance limit 4.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.3:
      O   HA    MET   96 - HN    PHE   97   2.24 +/- 0.07  98.687% * 99.9800% (0.99  10.0   6.07  44.33) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  10.54 +/- 1.91   1.313% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.52, residual support = 27.0:
        T HN    VAL   41 - HN    LEU   98   4.53 +/- 1.39 100.000% *100.0000% (0.69 10.00   5.52  27.01) = 100.000%  kept
    Distance limit 4.02 A violated in 4 structures by 0.80 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.98, residual support = 76.3:
      O   HA    LEU   98 - HN    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.80  10.0   4.98  76.30) = 100.000%  kept
    Distance limit 4.24 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 = 3.35, residual support = 10.6:
      O   HA    PHE   97 - HN    LEU   98   2.22 +/- 0.05 100.000% *100.0000% (0.98  10.0   3.35  10.64) = 100.000%  kept
    Distance limit 3.18 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 = 0.496, support = 1.63, residual support = 5.89:
          HA    LEU   40 - HN    LEU   98   6.11 +/- 1.56  34.996% * 68.2572% (0.53   2.07   9.25) =  62.353%  kept
          HA    VAL   42 - HN    LEU   98   4.45 +/- 1.01  56.426% * 25.3896% (0.45   0.90   0.33) =  37.396%  kept
          HA    SER   37 - HN    LEU   98  13.78 +/- 1.60   2.174% *  1.2116% (0.97   0.02   0.02) =   0.069%
          HA    GLN   17 - HN    LEU   98  16.90 +/- 4.75   2.024% *  1.2116% (0.97   0.02   0.02) =   0.064%
          HA    THR   46 - HN    LEU   98  16.33 +/- 1.73   1.727% *  1.2444% (0.99   0.02   0.02) =   0.056%
          HA    GLU-  15 - HN    LEU   98  17.94 +/- 3.44   1.187% *  0.9117% (0.73   0.02   0.02) =   0.028%
          HA    PRO   58 - HN    LEU   98  18.30 +/- 1.53   0.836% *  0.8624% (0.69   0.02   0.02) =   0.019%
          HA    SER   13 - HN    LEU   98  21.19 +/- 3.83   0.630% *  0.9117% (0.73   0.02   0.02) =   0.015%
    Distance limit 4.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.833, support = 1.15, residual support = 1.38:
          HN    LYS+ 102 - HN    LYS+  99   3.68 +/- 0.69  64.007% * 58.1744% (0.95   0.84   1.54) =  85.351%  kept
          HN    ASP- 105 - HN    LYS+  99   6.30 +/- 0.57  16.092% * 39.2261% (0.18   3.04   0.48) =  14.469%  kept
          HN    GLU-  36 - HN    LYS+  99  12.33 +/- 2.27   3.310% *  1.1793% (0.80   0.02   0.02) =   0.089%
          HN    THR   39 - HN    LYS+  99  10.24 +/- 1.83   5.527% *  0.5527% (0.38   0.02   0.02) =   0.070%
          HN    GLU-  36 - HN    GLN   30   9.81 +/- 0.84   4.074% *  0.0775% (0.05   0.02   0.02) =   0.007%
          HD1   TRP   87 - HN    LYS+  99  20.61 +/- 4.63   0.517% *  0.6055% (0.41   0.02   0.02) =   0.007%
          HN    LYS+ 102 - HN    GLN   30  15.58 +/- 3.66   1.404% *  0.0915% (0.06   0.02   0.02) =   0.003%
          HN    THR   39 - HN    GLN   30  11.25 +/- 1.29   2.658% *  0.0363% (0.02   0.02   0.02) =   0.002%
          HN    ASP- 105 - HN    GLN   30  16.50 +/- 3.06   1.793% *  0.0169% (0.01   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    GLN   30  22.51 +/- 6.19   0.619% *  0.0398% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.33 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.38, residual support = 18.6:
      O   HA    LEU   98 - HN    LYS+  99   2.34 +/- 0.09  99.410% * 99.9934% (0.99  10.0   4.38  18.60) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.30 +/- 2.53   0.590% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.25, residual support = 173.1:
      O   HA    LYS+  99 - HN    LYS+  99   2.90 +/- 0.03  87.198% * 99.5300% (0.80  10.0   5.25 173.11) =  99.995%  kept
          HA    ASN   35 - HN    LYS+  99  11.48 +/- 2.88   3.558% *  0.0804% (0.65   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    LYS+  99  18.90 +/- 5.98   0.644% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.60 +/- 1.63   0.225% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  19.00 +/- 2.40   0.369% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.57 +/- 2.30   0.216% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  12.79 +/- 2.88   1.845% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.36 +/- 0.85   2.060% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  20.21 +/- 7.24   2.375% *  0.0040% (0.03   1.0   0.02   0.52) =   0.000%
          HA    TRP   87 - HN    LYS+  99  21.97 +/- 4.87   0.343% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.17 +/- 3.78   0.559% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  25.84 +/- 3.60   0.161% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.31 +/- 2.82   0.189% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  25.10 +/- 6.01   0.257% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.43 +/- 0.72  86.562% * 99.9864% (1.00 10.00   3.61  14.94) =  99.998%  kept
          HN    LEU   40 - HN    GLU- 100   8.23 +/- 2.07  13.438% *  0.0136% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.82, residual support = 39.8:
      O   HA    LYS+  99 - HN    GLU- 100   2.24 +/- 0.06  88.324% * 99.5956% (0.99  10.0   6.82  39.84) =  99.994%  kept
          HA    ASN   35 - HN    GLU- 100   8.56 +/- 2.73   3.899% *  0.0928% (0.92   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    GLU- 100   6.69 +/- 2.22   7.263% *  0.0199% (0.20   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU- 100  19.65 +/- 6.23   0.238% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.21 +/- 1.98   0.077% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.82 +/- 2.26   0.071% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.70 +/- 2.42   0.127% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.93 +/- 0.86  87.101% * 98.8249% (0.95   3.13  12.52) =  99.954%  kept
          HN    GLU-  36 - HN    GLY  101  11.16 +/- 2.46   4.189% *  0.5339% (0.80   0.02   0.02) =   0.026%
          HN    THR   39 - HN    GLY  101   9.95 +/- 1.94   4.854% *  0.2503% (0.38   0.02   0.02) =   0.014%
          HN    ASP- 105 - HN    GLY  101   9.73 +/- 0.52   3.493% *  0.1168% (0.18   0.02   0.02) =   0.005%
          HD1   TRP   87 - HN    GLY  101  22.90 +/- 5.46   0.364% *  0.2741% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.979, support = 0.834, residual support = 1.53:
          HN    LYS+  99 - HN    LYS+ 102   3.68 +/- 0.69  89.601% * 94.4987% (0.98   0.84   1.54) =  99.861%  kept
          HE1   HIS  122 - HN    LYS+ 102  16.97 +/- 5.71   3.310% *  2.1840% (0.95   0.02   0.02) =   0.085%
          HN    GLU-  14 - HN    LYS+ 102  22.97 +/- 5.33   0.963% *  1.9285% (0.84   0.02   0.02) =   0.022%
          HN    ASN   35 - HN    LYS+ 102  12.75 +/- 2.81   3.679% *  0.3562% (0.15   0.02   0.02) =   0.015%
          HN    GLN   30 - HN    LYS+ 102  15.58 +/- 3.66   2.021% *  0.5757% (0.25   0.02   0.02) =   0.014%
          HN    ASP-  86 - HN    LYS+ 102  24.34 +/- 5.17   0.426% *  0.4569% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.29 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.93 +/- 0.86  97.746% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  11.87 +/- 2.52   2.254% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 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   3.43 +/- 0.72 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 1.43, residual support = 1.4:
          HA    LYS+  99 - HN    GLY  101   4.34 +/- 0.73  74.308% * 94.6250% (0.99   1.43   1.40) =  99.749%  kept
          HA    ASN   35 - HN    GLY  101  10.62 +/- 2.90   9.417% *  1.2330% (0.92   0.02   0.02) =   0.165%  kept
          HA    LEU   40 - HN    GLY  101   8.91 +/- 2.08  13.667% *  0.2643% (0.20   0.02   0.02) =   0.051%
          HA    LEU  123 - HN    GLY  101  21.39 +/- 6.30   1.069% *  1.0696% (0.80   0.02   0.02) =   0.016%
          HA    ASP- 113 - HN    GLY  101  25.08 +/- 1.84   0.435% *  1.1979% (0.90   0.02   0.02) =   0.007%
          HA    ILE   56 - HN    GLY  101  26.01 +/- 2.34   0.426% *  1.1979% (0.90   0.02   0.02) =   0.007%
          HA    PHE   59 - HN    GLY  101  22.30 +/- 2.40   0.678% *  0.4123% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.80 A violated in 0 structures by 0.07 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   2.63 +/- 0.19  93.324% * 99.5220% (1.00  10.0   2.86  15.43) =  99.994%  kept
          HA    ALA   34 - HN    GLY  101  10.42 +/- 1.90   3.419% *  0.0963% (0.97   1.0   0.02   0.02) =   0.004%
          HA    ASN   28 - HN    GLY  101  14.32 +/- 4.04   1.984% *  0.0833% (0.84   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    GLY  101  18.19 +/- 4.20   0.511% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.74 +/- 1.66   0.236% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  22.03 +/- 2.38   0.180% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  21.88 +/- 6.89   0.245% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.51 +/- 3.19   0.102% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 6.51, residual support = 37.4:
          HN    LEU  104 - HN    ILE  103   4.43 +/- 0.34  97.270% * 99.3848% (0.49   6.51  37.42) =  99.983%  kept
          HN    PHE   72 - HN    ILE  103  15.42 +/- 1.80   2.730% *  0.6152% (0.98   0.02   0.02) =   0.017%
    Distance limit 4.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 23.5:
      O   HA    LYS+ 102 - HN    ILE  103   2.31 +/- 0.12  98.835% * 99.7796% (0.97  10.0   5.98  23.51) =  99.999%  kept
          HA    CYS   21 - HN    ILE  103  20.20 +/- 3.83   0.344% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  26.92 +/- 4.10   0.185% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.58 +/- 4.03   0.236% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.80 +/- 0.98   0.194% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.44 +/- 3.08   0.206% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.99, residual support = 138.5:
      O   HA    ILE  103 - HN    ILE  103   2.68 +/- 0.17  92.169% * 99.2916% (0.98  10.0   6.99 138.50) =  99.994%  kept
          HA    THR   39 - HN    ILE  103  13.32 +/- 3.08   4.188% *  0.0846% (0.84   1.0   0.02   0.02) =   0.004%
          HA    ASP-  44 - HN    ILE  103  14.22 +/- 1.43   0.707% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ILE  103  28.91 +/- 7.23   0.330% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.31 +/- 2.62   0.254% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  22.95 +/- 4.12   0.239% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  23.17 +/- 3.18   0.182% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  27.62 +/- 6.84   0.540% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.38 +/- 3.47   0.135% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  21.06 +/- 5.69   0.494% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  24.26 +/- 5.31   0.587% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.62 +/- 2.12   0.173% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 7.0, residual support = 35.8:
        T HN    ASP- 105 - HN    LEU  104   2.47 +/- 0.59  99.746% * 99.9802% (1.00 10.00   7.00  35.78) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  21.88 +/- 3.69   0.254% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.94, residual support = 11.4:
          HA    LEU   98 - HN    LEU  104   2.99 +/- 1.22 100.000% *100.0000% (0.80   3.94  11.38) = 100.000%  kept
    Distance limit 3.95 A violated in 2 structures by 0.23 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.58, residual support = 37.4:
      O   HA    ILE  103 - HN    LEU  104   2.36 +/- 0.16  96.751% * 99.2645% (0.95  10.0   6.58  37.42) =  99.998%  kept
          HA    ASP-  44 - HN    LEU  104  12.38 +/- 1.52   0.758% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  12.78 +/- 1.83   1.037% *  0.0552% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    LEU  104  19.45 +/- 2.23   0.194% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  23.43 +/- 3.25   0.130% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  28.03 +/- 5.53   0.123% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  22.01 +/- 4.80   0.216% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  22.87 +/- 2.63   0.125% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  26.67 +/- 5.01   0.149% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.04 +/- 3.64   0.188% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.25 +/- 3.28   0.138% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.65 +/- 2.13   0.192% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.89, residual support = 59.1:
        T HN    PHE   97 - HN    ASP- 105   3.57 +/- 0.55  95.726% * 99.7623% (0.73 10.00   4.89  59.06) =  99.996%  kept
          HN    LEU  115 - HN    ASP- 105  12.99 +/- 1.47   2.514% *  0.0998% (0.73  1.00   0.02   0.02) =   0.003%
          HN    ASN   35 - HN    ASP- 105  15.85 +/- 2.06   1.448% *  0.0382% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    ASP- 105  27.36 +/- 4.73   0.312% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.0, residual support = 35.8:
        T HN    LEU  104 - HN    ASP- 105   2.47 +/- 0.59  99.021% * 99.9822% (0.87 10.00   7.00  35.78) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.50 +/- 1.78   0.979% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.17, residual support = 135.6:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.90 +/- 0.05 100.000% *100.0000% (0.95  10.0   5.17 135.64) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 23.8:
      O   HA    ASP- 105 - HN    LYS+ 106   2.47 +/- 0.10  97.673% * 99.6913% (0.92  10.0   3.49  23.78) =  99.998%  kept
          HB    THR   23 - HN    LYS+ 106  23.31 +/- 5.39   0.979% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    LYS+ 106  22.46 +/- 5.48   1.009% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    LYS+ 106  22.23 +/- 3.93   0.183% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  21.68 +/- 2.28   0.157% *  0.0333% (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 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 41.9:
      O   HA    ASP- 105 - HN    ASP- 105   2.87 +/- 0.04  96.177% * 99.6913% (0.92  10.0   4.34  41.90) =  99.997%  kept
          HA    THR   23 - HN    ASP- 105  20.94 +/- 5.23   2.062% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP- 105  21.71 +/- 4.89   1.240% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    ASP- 105  22.15 +/- 4.11   0.300% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  22.25 +/- 1.92   0.221% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.384, support = 5.78, residual support = 31.2:
      O   HA    LEU  104 - HN    ASP- 105   3.38 +/- 0.45  59.960% * 77.0938% (0.34  10.0   6.25  35.78) =  86.022%  kept
          HA    ILE  103 - HN    ASP- 105   4.28 +/- 0.47  34.911% * 21.4940% (0.65   1.0   2.94   3.18) =  13.964%  kept
          HA    ASP-  44 - HN    ASP- 105  11.37 +/- 1.22   1.853% *  0.1888% (0.84   1.0   0.02   0.02) =   0.007%
          HB    THR   77 - HN    ASP- 105  18.56 +/- 2.01   0.422% *  0.1727% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    ASP- 105  21.74 +/- 4.27   0.388% *  0.1810% (0.80   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  14.03 +/- 1.69   0.956% *  0.0503% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  23.52 +/- 3.27   0.277% *  0.1641% (0.73   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP- 105  22.84 +/- 2.87   0.252% *  0.1727% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  27.15 +/- 4.68   0.210% *  0.1888% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  28.50 +/- 5.26   0.178% *  0.1960% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ASP- 105  22.47 +/- 2.14   0.234% *  0.0628% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.70 +/- 3.43   0.361% *  0.0349% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 5.54:
          QD    PHE   97 - HN    VAL  107   4.62 +/- 0.91  89.519% * 99.0099% (0.87   2.25   5.54) =  99.928%  kept
          HZ3   TRP   87 - HN    VAL  107  14.99 +/- 5.21   7.191% *  0.8124% (0.80   0.02   0.02) =   0.066%
          HE3   TRP   49 - HN    VAL  107  18.99 +/- 3.51   3.289% *  0.1777% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.53 A violated in 2 structures by 0.36 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.3:
      O   HA    LYS+ 106 - HN    VAL  107   2.23 +/- 0.15 100.000% *100.0000% (0.98  10.0   4.58  26.28) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.65, residual support = 60.1:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.01  94.173% * 99.7406% (0.95  10.0   3.65  60.11) =  99.997%  kept
          HA    ALA   91 - HN    VAL  107  14.38 +/- 0.88   0.835% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107   9.06 +/- 0.94   3.596% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  17.71 +/- 2.67   0.644% *  0.0997% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  107  17.04 +/- 2.87   0.753% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.84, residual support = 59.1:
          QD    PHE   97 - HN    ASP- 105   3.43 +/- 0.78  92.819% * 99.6165% (0.87   5.85  59.06) =  99.981%  kept
          HZ3   TRP   87 - HN    ASP- 105  17.43 +/- 6.25   4.954% *  0.3146% (0.80   0.02   0.02) =   0.017%
          HE3   TRP   49 - HN    ASP- 105  23.54 +/- 4.64   2.228% *  0.0688% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.312, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   4.83 +/- 1.51  76.344% * 19.2756% (0.26   0.02   0.02) =  68.273%  kept
          HA    MET   92 - HN    GLY  109   7.86 +/- 2.20  20.844% * 25.3346% (0.34   0.02   0.02) =  24.500%  kept
          HA    LYS+  74 - HN    GLY  109  16.40 +/- 2.25   2.812% * 55.3898% (0.74   0.02   0.02) =   7.227%  kept
    Distance limit 4.47 A violated in 2 structures by 0.58 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 2.21, residual support = 8.4:
      O   HA1   GLY  109 - HN    GLY  109   2.80 +/- 0.22  34.166% * 65.3020% (0.73  10.0   1.76   9.29) =  50.349%  kept
      O   HA    VAL  108 - HN    GLY  109   2.25 +/- 0.05  63.893% * 34.4336% (0.34  10.0   2.66   7.50) =  49.648%  kept
          HA    CYS   50 - HN    GLY  109  14.51 +/- 3.93   0.829% *  0.0753% (0.74   1.0   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    GLY  109  12.83 +/- 2.64   0.648% *  0.0435% (0.43   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    GLY  109  16.88 +/- 2.83   0.259% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  22.40 +/- 3.22   0.102% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.36 +/- 0.88   0.102% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.01, residual support = 9.0:
          HN    LYS+ 111 - HN    ALA  110   3.44 +/- 0.55  88.847% * 84.8093% (0.90   3.04   9.08) =  99.004%  kept
          HN    ILE   56 - HN    ALA  110  10.41 +/- 2.64   5.497% * 13.4534% (0.98   0.44   1.56) =   0.972%  kept
          HN    LEU   63 - HN    ALA  110  15.40 +/- 2.69   1.567% *  0.5747% (0.92   0.02   0.02) =   0.012%
          HN    ALA   84 - HN    ALA  110  16.76 +/- 2.74   1.005% *  0.5583% (0.90   0.02   0.02) =   0.007%
          HZ2   TRP   87 - HN    ALA  110  16.62 +/- 5.30   2.336% *  0.1090% (0.18   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    ALA  110  23.34 +/- 4.24   0.549% *  0.1922% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  29.35 +/- 2.89   0.200% *  0.3030% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.692, support = 2.02, residual support = 6.09:
      O   HA1   GLY  109 - HN    ALA  110   3.44 +/- 0.36  53.446% * 93.8843% (0.69  10.0   2.07   6.38) =  95.449%  kept
          HA    VAL  108 - HN    ALA  110   4.11 +/- 0.92  41.339% *  5.7753% (0.80   1.0   1.06   0.02) =   4.542%  kept
          HA    CYS   50 - HN    ALA  110  14.00 +/- 3.56   2.486% *  0.0992% (0.73   1.0   0.02   0.02) =   0.005%
          HA    ALA   47 - HN    ALA  110  12.91 +/- 2.52   1.713% *  0.1226% (0.90   1.0   0.02   0.02) =   0.004%
          HA    TRP   49 - HN    ALA  110  16.62 +/- 2.45   0.654% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  22.66 +/- 3.31   0.362% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 9.57:
      O   HA    ALA  110 - HN    ALA  110   2.48 +/- 0.27  90.045% * 98.1886% (0.18  10.0   2.74   9.58) =  99.945%  kept
          HA    VAL  107 - HN    ALA  110   6.85 +/- 1.01   7.041% *  0.5304% (0.95   1.0   0.02   0.02) =   0.042%
          HA    ALA   91 - HN    ALA  110  10.91 +/- 2.10   1.419% *  0.5594% (1.00   1.0   0.02   0.02) =   0.009%
          HA    PRO   52 - HN    ALA  110  12.02 +/- 3.13   1.346% *  0.1912% (0.34   1.0   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    ALA  110  22.61 +/- 2.76   0.148% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.33, residual support = 28.5:
        T HN    LYS+ 112 - HN    LYS+ 111   4.39 +/- 0.13  88.772% * 99.8172% (0.99 10.00   5.33  28.51) =  99.997%  kept
          HN    LYS+  74 - HN    LYS+ 111  18.46 +/- 3.22   1.960% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  12.93 +/- 1.48   4.042% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  17.35 +/- 3.16   4.827% *  0.0155% (0.15  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    LYS+ 111  33.68 +/- 6.76   0.399% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.22 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.08:
        T HN    ALA  110 - HN    LYS+ 111   3.44 +/- 0.55  96.385% * 99.9053% (1.00 10.00   3.04   9.08) =  99.996%  kept
          HN    PHE   45 - HN    LYS+ 111  10.91 +/- 1.24   3.615% *  0.0947% (0.95  1.00   0.02   0.02) =   0.004%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.809, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  10.55 +/- 1.44  45.775% * 58.2608% (1.00   0.02   0.02) =  70.543%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.50 +/- 1.47  36.150% * 19.8732% (0.34   0.02   0.02) =  19.003%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.47 +/- 1.42  18.075% * 21.8659% (0.38   0.02   0.02) =  10.455%  kept
    Distance limit 4.55 A violated in 20 structures by 4.75 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.08:
      O   HA    ALA  110 - HN    LYS+ 111   2.83 +/- 0.23  87.013% * 99.3312% (0.45  10.0   3.04   9.08) =  99.973%  kept
          HA    VAL  107 - HN    LYS+ 111   6.75 +/- 1.66   9.513% *  0.2138% (0.97   1.0   0.02   0.02) =   0.024%
          HA    ALA   91 - HN    LYS+ 111  13.37 +/- 1.63   0.966% *  0.1922% (0.87   1.0   0.02   0.02) =   0.002%
          HA    PHE   55 - HN    LYS+ 111  11.34 +/- 1.79   1.774% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LYS+ 111  16.22 +/- 1.43   0.518% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  22.89 +/- 2.50   0.216% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.08, residual support = 28.5:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.32 +/- 0.20  97.288% * 99.8075% (0.53  10.0   7.08  28.51) =  99.997%  kept
          HA    VAL  108 - HN    LYS+ 112   9.29 +/- 0.60   1.730% *  0.1074% (0.57   1.0   0.02   0.02) =   0.002%
          HA    ALA   47 - HN    LYS+ 112  15.17 +/- 2.43   0.982% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.38, residual support = 22.6:
        T HN    GLU- 114 - HN    ASP- 113   2.62 +/- 0.19  81.773% * 94.1465% (0.81 10.00   4.42  22.81) =  99.005%  kept
          HN    GLN  116 - HN    ASP- 113   4.83 +/- 0.31  13.556% *  5.6879% (0.76  1.00   1.27   1.92) =   0.992%  kept
          HN    THR  118 - HN    ASP- 113   8.33 +/- 0.47   2.694% *  0.0644% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  10.79 +/- 1.65   1.740% *  0.0409% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  20.51 +/- 3.38   0.238% *  0.0604% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.42, residual support = 22.8:
        T HN    ASP- 113 - HN    GLU- 114   2.62 +/- 0.19 100.000% *100.0000% (1.00 10.00   4.42  22.81) = 100.000%  kept
    Distance limit 3.12 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 = 3.91, residual support = 43.6:
      O   HA    GLU- 114 - HN    GLU- 114   2.81 +/- 0.05  83.579% * 88.7486% (0.97  10.0   3.90  44.07) =  97.945%  kept
          HA    LEU  115 - HN    GLU- 114   5.10 +/- 0.15  14.207% * 10.9484% (0.53   1.0   4.53  21.40) =   2.054%  kept
          HA    CYS   53 - HN    GLU- 114  12.38 +/- 2.36   1.640% *  0.0284% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLU- 114  26.93 +/- 4.27   0.137% *  0.0870% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.52 +/- 1.47   0.131% *  0.0798% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  24.78 +/- 1.90   0.129% *  0.0632% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  24.58 +/- 3.69   0.177% *  0.0448% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 3.65:
          HA    LYS+ 111 - HN    ASP- 113   3.72 +/- 0.36  85.755% * 99.1978% (0.74   2.18   3.65) =  99.949%  kept
          HA    PRO   52 - HN    ASP- 113  12.79 +/- 3.06   7.867% *  0.3574% (0.29   0.02   0.02) =   0.033%
          HA    VAL  108 - HN    ASP- 113  10.20 +/- 0.64   4.541% *  0.2613% (0.21   0.02   0.02) =   0.014%
          HA    ALA   47 - HN    ASP- 113  17.18 +/- 2.29   1.837% *  0.1835% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.48, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.77 +/- 0.06  92.765% * 99.6702% (0.85  10.0   3.48  14.43) =  99.995%  kept
          HA    ILE   56 - HN    ASP- 113   8.68 +/- 1.99   4.366% *  0.0606% (0.52   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    ASP- 113  10.78 +/- 1.19   1.986% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  17.25 +/- 0.72   0.394% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  22.38 +/- 1.36   0.184% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  27.91 +/- 3.04   0.101% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  22.15 +/- 2.41   0.205% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.933, support = 8.12, residual support = 85.6:
        T HN    GLN  116 - HN    LEU  115   2.72 +/- 0.17  41.902% * 83.7765% (0.99 10.00   8.72  98.87) =  82.920%  kept
          HN    GLU- 114 - HN    LEU  115   2.56 +/- 0.16  49.798% * 14.3557% (0.65  1.00   5.25  21.40) =  16.886%  kept
          HN    THR  118 - HN    LEU  115   5.09 +/- 0.40   6.599% *  1.0806% (0.95  1.00   0.27   0.02) =   0.168%  kept
          HN    PHE   60 - HN    LEU  115   8.82 +/- 0.99   1.410% *  0.7507% (0.76  1.00   0.23   0.02) =   0.025%
          HN    LEU   71 - HN    LEU  115  17.29 +/- 3.17   0.236% *  0.0235% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.91 +/- 2.86   0.055% *  0.0130% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 8.72, residual support = 98.9:
        T HN    LEU  115 - HN    GLN  116   2.72 +/- 0.17  98.821% * 99.8619% (0.98 10.00   8.72  98.87) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  13.02 +/- 1.29   1.026% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  29.16 +/- 5.71   0.153% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.59, residual support = 28.7:
        T HN    SER  117 - HN    GLN  116   2.74 +/- 0.19  99.627% * 99.8966% (0.97 10.00   5.59  28.70) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  22.81 +/- 3.10   0.203% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  24.57 +/- 2.93   0.170% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.968, support = 4.16, residual support = 16.9:
        T HN    GLN  116 - HN    SER  117   2.74 +/- 0.19  44.402% * 50.0649% (0.99 10.00   5.59  28.70) =  50.064%  kept
        T HN    THR  118 - HN    SER  117   2.71 +/- 0.17  46.105% * 47.7822% (0.95 10.00   2.75   5.10) =  49.614%  kept
          HN    GLU- 114 - HN    SER  117   4.89 +/- 0.35   7.930% *  1.7450% (0.65  1.00   1.07   0.79) =   0.312%  kept
        T HN    PHE   60 - HN    SER  117   9.95 +/- 1.23   1.121% *  0.3860% (0.76 10.00   0.02   0.02) =   0.010%
          HN    LEU   71 - HN    SER  117  16.92 +/- 3.67   0.371% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.02 +/- 2.81   0.070% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.66, residual support = 119.7:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.822% * 99.8133% (0.95  10.0   2.66 119.68) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.64 +/- 1.61   0.802% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  15.95 +/- 1.74   0.146% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.23 +/- 6.68   0.231% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.65, residual support = 119.7:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  92.438% * 99.7477% (0.90  10.0 10.00   2.66 119.68) =  99.992%  kept
          HN    ALA  120 - HE22  GLN  116   6.17 +/- 2.16   5.815% *  0.1090% (0.98   1.0  1.00   0.02   0.20) =   0.007%
          HN    ALA   57 - HE22  GLN  116  11.11 +/- 3.35   1.381% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN  116  12.65 +/- 2.67   0.341% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  27.31 +/- 2.62   0.026% *  0.0309% (0.28   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 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.22, residual support = 1.91:
          HA    ASP- 113 - HN    GLN  116   3.77 +/- 0.38  74.372% * 94.8667% (1.00   1.22   1.92) =  99.665%  kept
          HA    PHE   59 - HN    GLN  116   7.45 +/- 1.18  12.898% *  0.9430% (0.61   0.02   0.50) =   0.172%  kept
          HA    ILE   56 - HN    GLN  116   8.42 +/- 1.63   9.236% *  0.9430% (0.61   0.02   0.02) =   0.123%  kept
          HA    LEU  123 - HN    GLN  116  12.92 +/- 0.66   2.084% *  0.7568% (0.49   0.02   0.02) =   0.022%
          HA    LYS+  99 - HN    GLN  116  19.18 +/- 1.79   0.657% *  1.2449% (0.80   0.02   0.02) =   0.012%
          HA    ASN   35 - HN    GLN  116  24.32 +/- 3.49   0.351% *  1.0058% (0.65   0.02   0.02) =   0.005%
          HA    TRP   87 - HN    GLN  116  22.80 +/- 2.23   0.402% *  0.2399% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.38 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 = 6.82, residual support = 119.7:
      O   HA    GLN  116 - HN    GLN  116   2.73 +/- 0.06  97.749% * 99.5202% (1.00  10.0   6.82 119.68) =  99.999%  kept
          HA    VAL   70 - HN    GLN  116  16.43 +/- 2.99   0.621% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLN  116  19.58 +/- 3.79   0.364% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  25.11 +/- 3.40   0.178% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  25.56 +/- 2.47   0.133% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  18.99 +/- 2.97   0.418% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  23.66 +/- 2.25   0.177% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  25.97 +/- 3.20   0.134% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  22.34 +/- 4.05   0.227% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.915, support = 7.11, residual support = 176.5:
      O   HA    LEU  115 - HN    LEU  115   2.79 +/- 0.05  66.340% * 60.5049% (1.00  10.0   7.80 224.55) =  76.326%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.57 +/- 0.05  31.736% * 39.2280% (0.65  10.0   4.86  21.40) =  23.673%  kept
          HA    ARG+  54 - HN    LEU  115  12.81 +/- 1.60   0.814% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU  115  22.75 +/- 3.58   0.224% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.45 +/- 1.59   0.306% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  22.79 +/- 1.75   0.130% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.12 +/- 1.39   0.122% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  25.09 +/- 4.00   0.149% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  21.63 +/- 2.81   0.180% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.66, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.75 +/- 0.05  98.419% * 99.4282% (0.38  10.0   3.66  15.43) =  99.996%  kept
          HA    ASP-  62 - HN    SER  117  13.74 +/- 1.72   1.069% *  0.2506% (0.95   1.0   0.02   0.02) =   0.003%
          HB    THR   26 - HN    SER  117  24.05 +/- 5.56   0.382% *  0.2025% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    SER  117  26.67 +/- 3.39   0.129% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.83, residual support = 53.3:
        T HN    ILE  119 - HN    ALA  120   2.70 +/- 0.15  98.254% * 99.2864% (0.83 10.00   5.83  53.32) =  99.993%  kept
        T HN    CYS   21 - HN    ALA  120  19.47 +/- 5.74   1.321% *  0.4963% (0.41 10.00   0.02   0.02) =   0.007%
          HN    SER   37 - HN    ALA  120  21.53 +/- 4.68   0.284% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  25.14 +/- 2.52   0.142% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.68, residual support = 53.6:
          HN    HIS  122 - HN    LYS+ 121   2.73 +/- 0.04  88.631% * 99.4497% (0.80   6.68  53.63) =  99.988%  kept
          QE    PHE   59 - HN    LYS+ 121   5.93 +/- 0.81   9.825% *  0.0743% (0.20   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+ 121  11.17 +/- 0.59   1.322% *  0.1807% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  23.85 +/- 5.69   0.222% *  0.2953% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.28 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 = 6.24, residual support = 38.7:
          HN    LEU  123 - HN    HIS  122   2.14 +/- 0.09  95.167% * 91.1904% (0.26   6.25  38.88) =  99.652%  kept
          HN    ALA  124 - HN    HIS  122   6.48 +/- 0.27   3.528% *  8.5486% (0.09   1.71   0.02) =   0.346%  kept
          HE21  GLN   17 - HN    HIS  122  18.02 +/- 5.32   1.144% *  0.1370% (0.12   0.02   0.02) =   0.002%
          HZ2   TRP   49 - HN    HIS  122  22.30 +/- 4.12   0.162% *  0.1240% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 6.25, residual support = 38.9:
          HN    HIS  122 - HN    LEU  123   2.14 +/- 0.09  96.751% * 99.1867% (0.87   6.25  38.88) =  99.993%  kept
          QE    PHE   59 - HN    LEU  123   7.73 +/- 1.17   2.604% *  0.1924% (0.53   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LEU  123  12.16 +/- 0.87   0.565% *  0.3280% (0.90   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    LEU  123  26.11 +/- 5.41   0.079% *  0.2929% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.11, residual support = 12.0:
      O   HA    LEU  123 - HN    ALA  124   2.26 +/- 0.04  95.961% * 99.5133% (1.00  10.0   4.11  12.00) =  99.998%  kept
          HA    SER   13 - HN    ALA  124  21.84 +/- 7.71   1.530% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  20.43 +/- 8.31   0.409% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  19.24 +/- 6.41   0.292% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  17.37 +/- 7.29   0.536% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.82 +/- 2.01   0.194% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  18.98 +/- 6.11   0.525% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.67 +/- 1.02   0.249% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.06 +/- 1.72   0.303% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.8, residual support = 9.12:
      O   HA    ALA  124 - HN    ALA  124   2.75 +/- 0.24  97.203% * 99.5715% (1.00  10.0   1.80   9.12) =  99.998%  kept
          HA    GLU-  36 - HN    ALA  124  22.22 +/- 8.43   0.423% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  22.37 +/- 7.08   0.582% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA  124  15.29 +/- 0.99   0.617% *  0.0496% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  19.27 +/- 7.43   0.654% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.57 +/- 2.07   0.206% *  0.1068% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  31.88 +/- 4.53   0.091% *  0.0886% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  24.19 +/- 6.88   0.223% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 38.9:
      O   HA    HIS  122 - HN    LEU  123   3.44 +/- 0.10  97.457% * 99.8702% (1.00  10.0   4.87  38.88) =  99.998%  kept
          HA    VAL   41 - HN    LEU  123  16.42 +/- 5.38   1.643% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU  123  20.06 +/- 2.24   0.549% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.80 +/- 1.34   0.351% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.24, residual support = 204.8:
      O   HA    LEU  123 - HN    LEU  123   2.87 +/- 0.06  92.092% * 99.5133% (1.00  10.0   6.24 204.81) =  99.995%  kept
          HA    LEU   40 - HN    LEU  123  14.85 +/- 6.47   1.964% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    LEU  123  19.28 +/- 7.12   0.832% *  0.0978% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    LEU  123  16.56 +/- 5.55   0.833% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    LEU  123  15.56 +/- 1.79   0.725% *  0.0989% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  13.32 +/- 0.88   0.971% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  13.54 +/- 1.42   1.029% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  21.71 +/- 6.35   0.864% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  18.70 +/- 4.51   0.690% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.62, residual support = 76.5:
          HD2   HIS  122 - HN    HIS  122   2.54 +/- 0.44  93.784% * 97.1933% (0.11   6.63  76.58) =  99.955%  kept
          HE22  GLN   17 - HN    HIS  122  18.83 +/- 5.45   3.013% *  0.9316% (0.35   0.02   0.02) =   0.031%
          HE22  GLN  116 - HN    HIS  122   9.83 +/- 2.24   2.594% *  0.3242% (0.12   0.02   0.02) =   0.009%
          HE22  GLN   32 - HN    HIS  122  22.92 +/- 7.09   0.542% *  0.8245% (0.31   0.02   0.02) =   0.005%
          HE22  GLN   90 - HN    HIS  122  30.57 +/- 2.13   0.068% *  0.7264% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 5.24, residual support = 76.6:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.01  98.143% * 99.8131% (0.30  10.0   5.24  76.58) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  14.83 +/- 5.21   1.402% *  0.1192% (0.35   1.0   0.02   0.02) =   0.002%
          HA    PHE   45 - HN    HIS  122  18.32 +/- 2.37   0.455% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.608, support = 5.21, residual support = 180.8:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.02  60.696% * 38.4533% (0.49  10.0   6.44 312.77) =  57.449%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.55 +/- 0.03  28.251% * 61.1842% (0.77  10.0   3.56   2.67) =  42.546%  kept
          QB    SER  117 - HN    LYS+ 121   5.55 +/- 0.79   9.335% *  0.0176% (0.22   1.0   0.02   0.02) =   0.004%
          HA2   GLY   16 - HN    LYS+ 121  18.93 +/- 3.91   0.304% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LYS+ 121  16.29 +/- 1.46   0.320% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.68 +/- 1.99   0.305% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  22.03 +/- 3.11   0.163% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  26.18 +/- 3.41   0.087% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.27 +/- 1.71   0.108% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  20.72 +/- 5.39   0.242% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  22.01 +/- 1.40   0.125% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  28.02 +/- 2.91   0.065% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.733, support = 3.57, residual support = 13.2:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.05  73.783% * 90.6786% (0.74  10.0   3.58  13.39) =  98.477%  kept
          HA    LYS+ 121 - HN    ALA  120   5.15 +/- 0.15  11.884% *  8.0438% (0.35   1.0   3.79   2.67) =   1.407%  kept
          QB    SER  117 - HN    ALA  120   5.14 +/- 0.25  12.057% *  0.6382% (0.12   1.0   0.83   5.30) =   0.113%  kept
          HA    LYS+  65 - HN    ALA  120  15.79 +/- 1.32   0.437% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    ALA  120  19.67 +/- 3.68   0.291% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.65 +/- 1.53   0.374% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  21.41 +/- 3.11   0.226% *  0.0641% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  26.12 +/- 3.30   0.114% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.77 +/- 1.56   0.188% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  22.21 +/- 4.76   0.221% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.85 +/- 1.80   0.162% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  22.56 +/- 3.04   0.179% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  27.84 +/- 2.61   0.083% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.339, support = 3.44, residual support = 119.7:
      O   HG3   GLN  116 - HE22  GLN  116   3.76 +/- 0.43  42.156% * 62.0774% (0.41  10.0   3.22 119.68) =  55.320%  kept
      O   HG2   GLN  116 - HE22  GLN  116   3.39 +/- 0.53  56.132% * 37.6518% (0.25  10.0   3.72 119.68) =  44.678%  kept
          HG2   GLU-  25 - HE22  GLN  116  28.70 +/- 7.12   0.374% *  0.1507% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   95 - HE22  GLN  116  12.87 +/- 1.78   1.169% *  0.0466% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   TRP   87 - HE22  GLN  116  24.58 +/- 2.53   0.169% *  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 = 0.763, support = 4.18, residual support = 12.0:
          HB2   LEU  123 - HN    ALA  124   4.15 +/- 0.21  80.253% * 96.1938% (0.76   4.19  12.00) =  99.886%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.38 +/- 0.41   7.242% *  0.4368% (0.73   0.02   0.02) =   0.041%
          QD    LYS+  38 - HN    ALA  124  18.73 +/- 8.73   5.523% *  0.5690% (0.95   0.02   0.02) =   0.041%
          QD    LYS+  65 - HN    ALA  124  16.23 +/- 3.22   2.049% *  0.4597% (0.76   0.02   0.02) =   0.012%
          QD    LYS+ 102 - HN    ALA  124  22.02 +/- 6.09   1.163% *  0.5690% (0.95   0.02   0.02) =   0.009%
          HG3   PRO   93 - HN    ALA  124  23.48 +/- 1.59   0.489% *  0.4817% (0.80   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    ALA  124  20.99 +/- 3.81   1.472% *  0.1500% (0.25   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    ALA  124  22.47 +/- 1.32   0.540% *  0.2928% (0.49   0.02   0.02) =   0.002%
          HB    VAL   83 - HN    ALA  124  30.17 +/- 4.21   0.246% *  0.5024% (0.84   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HN    ALA  124  21.55 +/- 2.54   0.685% *  0.1190% (0.20   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    ALA  124  26.22 +/- 1.49   0.336% *  0.2258% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.8, residual support = 9.12:
      O   QB    ALA  124 - HN    ALA  124   2.29 +/- 0.30  91.375% * 98.5463% (0.65  10.0   1.80   9.12) =  99.993%  kept
          HG3   LYS+  33 - HN    ALA  124  20.11 +/- 7.61   2.707% *  0.0822% (0.49   1.0   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    ALA  124  20.33 +/- 6.55   2.115% *  0.0296% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA  124  20.95 +/- 4.23   0.431% *  0.1093% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA  124  17.59 +/- 3.67   0.477% *  0.0957% (0.57   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  16.77 +/- 5.28   0.469% *  0.0957% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA  124  14.10 +/- 2.84   0.666% *  0.0634% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  20.64 +/- 5.68   0.232% *  0.1291% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  21.07 +/- 4.66   0.194% *  0.1466% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.24 +/- 1.29   0.181% *  0.1291% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  24.20 +/- 6.76   0.181% *  0.1161% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.97 +/- 1.80   0.129% *  0.1515% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.92 +/- 3.45   0.226% *  0.0822% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  20.99 +/- 7.17   0.483% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  26.51 +/- 3.23   0.077% *  0.1466% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.38 +/- 4.65   0.057% *  0.0470% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.974, support = 5.29, residual support = 25.4:
          HA    ALA  120 - HN    LEU  123   2.69 +/- 0.14  73.293% * 70.1350% (0.99   5.61  28.30) =  88.816%  kept
          HA    LYS+ 121 - HN    LEU  123   4.10 +/- 0.32  22.705% * 28.4821% (0.84   2.70   2.28) =  11.174%  kept
          QB    SER  117 - HN    LEU  123   8.71 +/- 0.66   2.353% *  0.1228% (0.49   0.02   0.02) =   0.005%
          HA2   GLY   16 - HN    LEU  123  17.52 +/- 4.61   0.496% *  0.1928% (0.76   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    LEU  123  15.87 +/- 2.43   0.452% *  0.1733% (0.69   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  19.38 +/- 2.14   0.214% *  0.2262% (0.90   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU  123  23.29 +/- 3.82   0.186% *  0.2434% (0.97   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU  123  24.62 +/- 1.78   0.105% *  0.1928% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  28.13 +/- 3.91   0.080% *  0.1928% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.69 +/- 1.51   0.116% *  0.0389% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 5.2, residual support = 36.8:
          HB3   HIS  122 - HN    LEU  123   3.73 +/- 0.59  74.218% * 79.5348% (0.99   5.41  38.88) =  94.220%  kept
          QE    LYS+ 121 - HN    LEU  123   6.84 +/- 0.88  17.899% * 20.1981% (0.76   1.78   2.28) =   5.770%  kept
          HG2   GLN   30 - HN    LEU  123  19.14 +/- 6.38   6.586% *  0.0825% (0.28   0.02   0.52) =   0.009%
          HB3   ASP-  78 - HN    LEU  123  25.86 +/- 3.04   0.315% *  0.1444% (0.49   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LEU  123  22.07 +/- 6.73   0.982% *  0.0402% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 204.6:
          HG    LEU  123 - HN    LEU  123   3.58 +/- 0.21  70.376% * 96.8015% (0.76   5.81 204.81) =  99.894%  kept
          HG3   PRO   68 - HN    LEU  123  13.48 +/- 5.99   8.913% *  0.3779% (0.87   0.02   0.02) =   0.049%
          HB3   ASP- 105 - HN    LEU  123  12.70 +/- 4.91   2.810% *  0.3330% (0.76   0.02   0.02) =   0.014%
          QB    LYS+  66 - HN    LEU  123  11.32 +/- 4.18   7.925% *  0.0862% (0.20   0.02   0.02) =   0.010%
          QB    LYS+  33 - HN    LEU  123  17.83 +/- 6.13   2.356% *  0.2819% (0.65   0.02   0.02) =   0.010%
          HB    ILE  103 - HN    LEU  123  18.52 +/- 5.55   1.030% *  0.3639% (0.84   0.02   0.02) =   0.005%
          HG12  ILE  103 - HN    LEU  123  17.79 +/- 5.67   1.575% *  0.2121% (0.49   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    LEU  123  15.55 +/- 3.43   1.393% *  0.1953% (0.45   0.02   0.02) =   0.004%
          HB    VAL   41 - HN    LEU  123  16.62 +/- 5.50   1.299% *  0.1486% (0.34   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU  123  21.39 +/- 2.08   0.388% *  0.3489% (0.80   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU  123  22.60 +/- 2.09   0.313% *  0.3330% (0.76   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU  123  15.48 +/- 2.04   1.206% *  0.0590% (0.14   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU  123  26.53 +/- 4.61   0.279% *  0.2121% (0.49   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU  123  29.29 +/- 1.84   0.136% *  0.2467% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 6.34, residual support = 200.6:
      O   HB2   LEU  123 - HN    LEU  123   2.45 +/- 0.44  83.146% * 85.2940% (0.76  10.0   6.40 204.81) =  97.912%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.23 +/- 0.22  10.712% * 14.0808% (0.73   1.0   3.47   2.28) =   2.082%  kept
          QD    LYS+  38 - HN    LEU  123  17.89 +/- 7.44   1.896% *  0.1056% (0.95   1.0   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    LEU  123  18.12 +/- 3.88   2.007% *  0.0278% (0.25   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LEU  123  14.84 +/- 2.28   0.606% *  0.0853% (0.76   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU  123  19.38 +/- 5.41   0.332% *  0.1056% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.67 +/- 1.50   0.228% *  0.0894% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.56 +/- 4.04   0.145% *  0.0932% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.69 +/- 1.21   0.242% *  0.0543% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  18.78 +/- 2.49   0.531% *  0.0221% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  22.16 +/- 1.38   0.155% *  0.0419% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.844, support = 6.62, residual support = 204.7:
          QD1   LEU  123 - HN    LEU  123   2.45 +/- 0.82  58.546% * 84.7430% (0.90   6.63 204.81) =  92.926%  kept
          QD2   LEU  123 - HN    LEU  123   3.77 +/- 0.71  26.152% * 14.3184% (0.15   6.52 204.81) =   7.014%  kept
          QD1   LEU   71 - HN    LEU  123  12.75 +/- 5.12   6.381% *  0.2555% (0.90   0.02   0.02) =   0.031%
          QG1   VAL   70 - HN    LEU  123   9.94 +/- 4.25   5.763% *  0.1957% (0.69   0.02   0.02) =   0.021%
          HB3   LEU  104 - HN    LEU  123  14.64 +/- 5.85   0.959% *  0.2823% (0.99   0.02   0.02) =   0.005%
          QG1   VAL   18 - HN    LEU  123  13.85 +/- 3.14   0.691% *  0.1613% (0.57   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU  123  11.21 +/- 2.87   1.508% *  0.0439% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 38.9:
          HB2   HIS  122 - HN    LEU  123   4.03 +/- 0.44  96.585% * 99.3358% (1.00   5.36  38.88) =  99.988%  kept
          HA    LYS+ 112 - HN    LEU  123  14.39 +/- 0.94   2.421% *  0.3321% (0.90   0.02   0.02) =   0.008%
          HB    THR   46 - HN    LEU  123  20.25 +/- 2.54   0.993% *  0.3321% (0.90   0.02   0.02) =   0.003%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.246, support = 7.0, residual support = 36.1:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.03  46.090% * 65.6437% (0.20  10.0   7.45  53.63) =  66.089%  kept
          HA    ALA  120 - HN    HIS  122   3.51 +/- 0.19  46.062% * 33.6937% (0.33   1.0   6.14   2.04) =  33.902%  kept
          QB    SER  117 - HN    HIS  122   7.81 +/- 0.66   4.525% *  0.0289% (0.09   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    HIS  122  15.10 +/- 2.20   0.736% *  0.1070% (0.33   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    HIS  122  17.33 +/- 4.29   0.679% *  0.1119% (0.34   1.0   0.02   0.02) =   0.002%
          HB    THR   94 - HN    HIS  122  17.52 +/- 2.29   0.424% *  0.0750% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    HIS  122  22.06 +/- 3.65   0.331% *  0.0886% (0.27   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    HIS  122  26.61 +/- 3.79   0.144% *  0.1119% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  19.62 +/- 6.13   0.566% *  0.0229% (0.07   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  23.59 +/- 1.61   0.161% *  0.0564% (0.17   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.48 +/- 1.46   0.185% *  0.0396% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  28.74 +/- 3.22   0.098% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.259, support = 6.16, residual support = 13.3:
          HA    ILE  119 - HN    HIS  122   3.68 +/- 0.27  70.907% * 59.1708% (0.27   6.34  15.36) =  80.287%  kept
          HA    THR  118 - HN    HIS  122   5.34 +/- 0.35  25.572% * 40.2705% (0.21   5.43   5.08) =  19.706%  kept
          HD3   PRO   58 - HN    HIS  122  13.46 +/- 1.12   1.533% *  0.0679% (0.10   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    HIS  122  18.26 +/- 2.27   0.772% *  0.1286% (0.19   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    HIS  122  25.29 +/- 3.21   0.306% *  0.1678% (0.24   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    HIS  122  18.73 +/- 1.97   0.619% *  0.0754% (0.11   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  25.54 +/- 3.10   0.291% *  0.1189% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.97, residual support = 76.6:
      O   HB2   HIS  122 - HN    HIS  122   3.44 +/- 0.42  88.966% * 99.5910% (0.11  10.0   5.97  76.58) =  99.989%  kept
          HA    LEU   63 - HN    HIS  122  10.08 +/- 3.02   8.094% *  0.0565% (0.06   1.0   0.02   0.02) =   0.005%
          HA    LYS+ 112 - HN    HIS  122  13.27 +/- 0.83   1.760% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
          HB2   HIS   22 - HN    HIS  122  22.52 +/- 6.05   1.179% *  0.1698% (0.19   1.0   0.02   0.02) =   0.002%
    Distance limit 3.90 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 = 0.322, support = 6.6, residual support = 75.7:
      O   HB3   HIS  122 - HN    HIS  122   2.87 +/- 0.44  81.459% * 82.8055% (0.33  10.0   6.61  76.58) =  96.053%  kept
          QE    LYS+ 121 - HN    HIS  122   5.74 +/- 0.70  16.187% * 17.1207% (0.21   1.0   6.29  53.63) =   3.946%  kept
          HG2   GLN   30 - HN    HIS  122  18.21 +/- 5.75   2.167% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  24.36 +/- 2.80   0.187% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.306, support = 7.22, residual support = 51.1:
          HB2   LYS+ 121 - HN    HIS  122   3.49 +/- 0.24  58.582% * 72.7938% (0.33   7.62  53.63) =  82.806%  kept
          HB2   LEU  123 - HN    HIS  122   4.30 +/- 0.50  33.860% * 26.1227% (0.17   5.31  38.88) =  17.175%  kept
          QD    LYS+  38 - HN    HIS  122  17.32 +/- 6.92   2.073% *  0.2002% (0.35   0.02   0.02) =   0.008%
          QD    LYS+  65 - HN    HIS  122  14.35 +/- 2.01   0.991% *  0.1949% (0.34   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HN    HIS  122  18.07 +/- 5.14   0.755% *  0.1467% (0.26   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HN    HIS  122  17.51 +/- 2.32   0.593% *  0.0830% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    HIS  122  18.21 +/- 1.51   0.443% *  0.1063% (0.19   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  24.88 +/- 4.10   0.219% *  0.2002% (0.35   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    HIS  122  13.12 +/- 1.23   1.234% *  0.0354% (0.06   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.61 +/- 1.26   0.479% *  0.0504% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.75 +/- 1.27   0.467% *  0.0312% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  20.50 +/- 1.40   0.305% *  0.0354% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.302, support = 6.63, residual support = 53.6:
          HB3   LYS+ 121 - HN    HIS  122   3.72 +/- 0.41  52.673% * 67.7055% (0.35   6.49  53.63) =  77.973%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.75 +/- 0.86  32.083% * 31.3364% (0.15   7.16  53.63) =  21.981%  kept
          QD    LYS+  66 - HN    HIS  122  12.02 +/- 4.24   6.768% *  0.1706% (0.28   0.02   0.02) =   0.025%
          HG    LEU  104 - HN    HIS  122  13.65 +/- 5.27   1.800% *  0.2088% (0.35   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HN    HIS  122  15.25 +/- 1.13   0.757% *  0.1966% (0.33   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HN    HIS  122  18.16 +/- 6.02   2.376% *  0.0592% (0.10   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    HIS  122  16.89 +/- 4.57   2.116% *  0.0592% (0.10   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    HIS  122  18.06 +/- 2.56   0.525% *  0.1910% (0.32   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    HIS  122  15.40 +/- 2.19   0.903% *  0.0727% (0.12   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.22, residual support = 38.8:
          QD1   LEU  123 - HN    HIS  122   3.37 +/- 0.93  57.426% * 98.4689% (0.31   6.23  38.88) =  99.762%  kept
          QD1   LEU   71 - HN    HIS  122  11.73 +/- 5.12  18.918% *  0.3159% (0.31   0.02   0.02) =   0.105%  kept
          QG1   VAL   70 - HN    HIS  122   9.10 +/- 3.96  15.968% *  0.3609% (0.35   0.02   0.02) =   0.102%  kept
          HB3   LEU   63 - HN    HIS  122  10.05 +/- 2.77   3.278% *  0.2356% (0.23   0.02   0.02) =   0.014%
          QG1   VAL   18 - HN    HIS  122  13.20 +/- 2.90   1.346% *  0.3634% (0.35   0.02   0.02) =   0.009%
          HB3   LEU  104 - HN    HIS  122  13.19 +/- 5.66   2.465% *  0.1916% (0.19   0.02   0.02) =   0.008%
          QG1   VAL  108 - HN    HIS  122  15.84 +/- 1.90   0.598% *  0.0638% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.547, support = 3.47, residual support = 7.09:
          HA    THR  118 - HN    LYS+ 121   3.27 +/- 0.27  62.009% * 37.7759% (0.49   3.04   7.35) =  51.752%  kept
          HA    ILE  119 - HN    LYS+ 121   3.98 +/- 0.15  35.627% * 61.2887% (0.61   3.92   6.81) =  48.240%  kept
          HD3   PRO   58 - HN    LYS+ 121  13.32 +/- 0.78   0.988% *  0.1138% (0.22   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    LYS+ 121  17.00 +/- 1.96   0.693% *  0.1263% (0.25   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    LYS+ 121  18.73 +/- 1.79   0.365% *  0.2152% (0.42   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    LYS+ 121  25.11 +/- 2.60   0.156% *  0.2810% (0.55   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    LYS+ 121  25.07 +/- 2.77   0.163% *  0.1991% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.755, support = 6.89, residual support = 309.8:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.51 +/- 0.52  82.867% * 93.4510% (0.76  10.0   6.93 312.77) =  99.038%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.28 +/- 0.90  12.451% *  6.0190% (0.39   1.0   2.50   2.28) =   0.958%  kept
          QD    LYS+  38 - HN    LYS+ 121  18.41 +/- 6.21   0.748% *  0.0979% (0.79   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  15.38 +/- 1.82   0.522% *  0.0953% (0.77   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+ 121  17.63 +/- 4.73   0.612% *  0.0717% (0.58   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LYS+ 121  17.37 +/- 1.37   0.377% *  0.0520% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  24.73 +/- 3.95   0.177% *  0.0979% (0.79   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  13.15 +/- 1.38   0.746% *  0.0173% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.28 +/- 2.43   0.315% *  0.0406% (0.33   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  15.59 +/- 1.51   0.465% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.69 +/- 1.57   0.462% *  0.0152% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.43 +/- 1.41   0.258% *  0.0173% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.04 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.543, support = 5.39, residual support = 239.5:
          HD2   LYS+ 121 - HN    LYS+ 121   3.59 +/- 0.91  37.521% * 81.8709% (0.64   5.97 312.77) =  76.373%  kept
          QB    ALA  120 - HN    LYS+ 121   2.87 +/- 0.09  56.604% * 16.7707% (0.22   3.52   2.67) =  23.601%  kept
          QG2   THR   26 - HN    LYS+ 121  17.70 +/- 4.53   0.750% *  0.3163% (0.74   0.02   0.02) =   0.006%
          QD    LYS+  66 - HN    LYS+ 121  13.46 +/- 3.99   1.386% *  0.1409% (0.33   0.02   0.02) =   0.005%
          HB3   LEU   40 - HN    LYS+ 121  13.93 +/- 5.16   1.106% *  0.1668% (0.39   0.02   0.02) =   0.005%
          HG    LEU  115 - HN    LYS+ 121   9.31 +/- 1.07   1.917% *  0.0953% (0.22   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HN    LYS+ 121  18.19 +/- 3.13   0.361% *  0.3419% (0.80   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    LYS+ 121  16.56 +/- 1.88   0.355% *  0.2973% (0.70   0.02   0.02) =   0.003%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 5.8, residual support = 308.6:
          HG2   LYS+ 121 - HN    LYS+ 121   3.93 +/- 0.37  65.008% * 94.5454% (0.77   5.86 312.77) =  98.635%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.29 +/- 0.31  17.407% *  4.6321% (0.16   1.40   6.81) =   1.294%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.97 +/- 1.86   6.946% *  0.3314% (0.79   0.02   0.02) =   0.037%
          HG13  ILE  103 - HN    LYS+ 121  15.60 +/- 5.21   6.433% *  0.2163% (0.52   0.02   0.02) =   0.022%
          QB    ALA   20 - HN    LYS+ 121  16.70 +/- 4.54   3.036% *  0.2163% (0.52   0.02   0.02) =   0.011%
          HB3   LEU   31 - HN    LYS+ 121  18.35 +/- 5.41   1.170% *  0.0586% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.693, support = 2.06, residual support = 2.26:
          QD1   LEU  123 - HN    LYS+ 121   4.68 +/- 0.62  44.391% * 87.4421% (0.72   2.11   2.28) =  95.087%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.38 +/- 0.68  18.471% *  9.5129% (0.12   1.33   2.28) =   4.304%  kept
          QD1   LEU   71 - HN    LYS+ 121  12.69 +/- 4.83  12.736% *  0.8287% (0.72   0.02   0.02) =   0.259%  kept
          QG1   VAL   70 - HN    LYS+ 121  10.19 +/- 3.49  11.716% *  0.6347% (0.55   0.02   0.02) =   0.182%  kept
          HB3   LEU  104 - HN    LYS+ 121  12.53 +/- 5.31   5.055% *  0.9159% (0.79   0.02   0.02) =   0.113%  kept
          QG1   VAL   18 - HN    LYS+ 121  14.05 +/- 3.15   2.968% *  0.5232% (0.45   0.02   0.02) =   0.038%
          HB3   LEU   63 - HN    LYS+ 121  11.06 +/- 2.46   4.663% *  0.1426% (0.12   0.02   0.02) =   0.016%
    Distance limit 4.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.14, residual support = 53.3:
          HB    ILE  119 - HN    ALA  120   2.92 +/- 0.29  92.400% * 97.5298% (0.90   5.14  53.32) =  99.980%  kept
          HG3   GLN   30 - HN    ALA  120  20.18 +/- 5.17   0.859% *  0.3659% (0.87   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    ALA  120  19.16 +/- 4.59   0.773% *  0.3792% (0.90   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    ALA  120  16.08 +/- 4.39   1.181% *  0.2346% (0.56   0.02   0.02) =   0.003%
          HB    VAL  108 - HN    ALA  120  15.88 +/- 1.83   0.703% *  0.3231% (0.77   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    ALA  120  12.69 +/- 1.21   1.374% *  0.1194% (0.28   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ALA  120  21.58 +/- 4.24   0.348% *  0.3860% (0.92   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA  120  15.68 +/- 1.64   0.735% *  0.1734% (0.41   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA  120  18.70 +/- 1.84   0.398% *  0.2956% (0.71   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ALA  120  19.40 +/- 4.09   0.816% *  0.0965% (0.23   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  19.18 +/- 2.88   0.414% *  0.0965% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.485, support = 4.0, residual support = 13.2:
      O   QB    ALA  120 - HN    ALA  120   2.04 +/- 0.09  88.363% * 82.4961% (0.49  10.0   4.01  13.39) =  98.484%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.72 +/- 1.21   7.053% * 15.3946% (0.49   1.0   3.73   2.67) =   1.467%  kept
          HG    LEU  115 - HN    ALA  120   7.98 +/- 1.18   2.171% *  1.5867% (0.49   1.0   0.38   0.02) =   0.047%
          HB3   LEU   40 - HN    ALA  120  15.13 +/- 4.85   0.509% *  0.1198% (0.71   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    ALA  120  18.27 +/- 4.56   0.391% *  0.1077% (0.63   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA  120  18.11 +/- 3.44   0.216% *  0.1447% (0.85   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  15.91 +/- 2.09   0.254% *  0.0951% (0.56   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  13.04 +/- 3.84   0.720% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  15.08 +/- 2.96   0.322% *  0.0242% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 6.0, residual support = 53.3:
          QG2   ILE  119 - HN    ALA  120   2.97 +/- 0.54  83.304% * 96.8233% (0.49   6.01  53.32) =  99.899%  kept
          QD2   LEU   71 - HN    ALA  120  13.03 +/- 4.61   7.269% *  0.5116% (0.77   0.02   0.02) =   0.046%
          QD2   LEU   40 - HN    ALA  120  11.90 +/- 3.85   2.665% *  0.4681% (0.71   0.02   0.02) =   0.015%
          QD1   ILE  103 - HN    ALA  120  14.42 +/- 4.28   2.189% *  0.4448% (0.67   0.02   0.02) =   0.012%
          QD1   LEU   67 - HN    ALA  120  12.51 +/- 2.35   1.881% *  0.4905% (0.74   0.02   0.02) =   0.011%
          QG2   ILE  103 - HN    ALA  120  13.02 +/- 3.33   1.403% *  0.5493% (0.83   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HN    ALA  120  18.27 +/- 3.49   0.743% *  0.5911% (0.89   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    ALA  120  16.85 +/- 1.58   0.546% *  0.1212% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 2.78, residual support = 15.4:
      O   QB    SER  117 - HN    SER  117   2.19 +/- 0.17  94.213% * 88.0075% (0.25  10.0   2.79  15.43) =  99.701%  kept
          HA    ALA  120 - HN    SER  117   7.67 +/- 0.48   2.454% *  9.8638% (0.95   1.0   0.59   5.30) =   0.291%  kept
          HA    LYS+ 121 - HN    SER  117   8.76 +/- 1.01   1.831% *  0.1998% (0.57   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    SER  117  14.19 +/- 1.00   0.374% *  0.2283% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  17.29 +/- 1.25   0.219% *  0.3258% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  19.96 +/- 2.62   0.188% *  0.2697% (0.76   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER  117  22.87 +/- 3.41   0.100% *  0.3406% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  24.04 +/- 2.79   0.087% *  0.3406% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.71 +/- 2.23   0.158% *  0.1718% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.36 +/- 2.37   0.211% *  0.1204% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  24.37 +/- 3.51   0.095% *  0.0698% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  25.02 +/- 2.06   0.070% *  0.0618% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.373, support = 5.5, residual support = 28.7:
          HG3   GLN  116 - HN    SER  117   4.76 +/- 0.75  36.384% * 69.2392% (0.49   5.38  28.70) =  60.763%  kept
          HG2   GLN  116 - HN    SER  117   4.09 +/- 1.09  54.522% * 29.8106% (0.20   5.69  28.70) =  39.203%  kept
          HB3   PHE   95 - HN    SER  117   9.26 +/- 1.35   8.331% *  0.1319% (0.25   0.02   0.02) =   0.027%
          HG2   GLU-  25 - HN    SER  117  27.22 +/- 6.20   0.284% *  0.5187% (0.98   0.02   0.02) =   0.004%
          HB3   TRP   87 - HN    SER  117  21.66 +/- 2.57   0.479% *  0.2996% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.24 A violated in 0 structures by 0.14 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 28.7:
          HB2   GLN  116 - HN    SER  117   3.42 +/- 0.38  93.076% * 98.7813% (0.97   4.92  28.70) =  99.974%  kept
          HB3   PHE   97 - HN    SER  117  11.72 +/- 2.50   3.066% *  0.4157% (1.00   0.02   0.02) =   0.014%
          HB2   PRO   58 - HN    SER  117  11.25 +/- 1.80   3.050% *  0.3019% (0.73   0.02   0.02) =   0.010%
          HB2   GLU- 100 - HN    SER  117  22.52 +/- 2.55   0.362% *  0.3728% (0.90   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    SER  117  22.08 +/- 2.17   0.446% *  0.1283% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.19 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 7.17, residual support = 119.0:
          HG2   GLN  116 - HN    GLN  116   3.41 +/- 0.70  92.136% * 93.1133% (0.73   7.21 119.68) =  99.425%  kept
          HB3   PHE   95 - HN    GLN  116   8.72 +/- 0.98   7.472% *  6.6282% (0.80   0.47   0.02) =   0.574%  kept
          HG2   GLU-  25 - HN    GLN  116  27.13 +/- 5.45   0.393% *  0.2584% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.39, residual support = 119.7:
      O   HB2   GLN  116 - HN    GLN  116   2.19 +/- 0.16  95.924% * 99.6757% (0.98  10.0   7.39 119.68) =  99.998%  kept
          HB2   PRO   58 - HN    GLN  116   9.46 +/- 2.05   3.021% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLN  116  12.44 +/- 1.86   0.729% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLN  116  23.55 +/- 1.75   0.088% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  20.80 +/- 2.16   0.130% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  23.53 +/- 2.89   0.108% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.781, support = 7.09, residual support = 82.4:
          HB2   LEU  115 - HN    GLN  116   3.37 +/- 0.55  58.754% * 64.4446% (0.80   7.57  98.87) =  83.036%  kept
          QB    GLU- 114 - HN    GLN  116   5.07 +/- 0.38  22.238% * 34.7189% (0.69   4.76   1.91) =  16.932%  kept
          HG3   PRO   58 - HN    GLN  116   9.58 +/- 1.77   3.998% *  0.1776% (0.84   0.02   0.02) =   0.016%
          HB2   LYS+ 111 - HN    GLN  116   6.99 +/- 1.07  11.407% *  0.0328% (0.15   0.02   0.02) =   0.008%
          HB    ILE   19 - HN    GLN  116  20.56 +/- 4.10   0.918% *  0.1625% (0.76   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLN  116  17.13 +/- 3.04   0.656% *  0.1776% (0.84   0.02   0.02) =   0.003%
          HB2   LEU   67 - HN    GLN  116  15.71 +/- 1.83   0.683% *  0.0874% (0.41   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN  116  26.72 +/- 5.35   0.306% *  0.0725% (0.34   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  19.38 +/- 4.36   0.447% *  0.0421% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.18 +/- 4.22   0.327% *  0.0421% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.93 +/- 2.41   0.266% *  0.0421% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.12 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.855, support = 8.43, residual support = 97.2:
          HB3   LEU  115 - HN    GLN  116   3.92 +/- 0.47  36.901% * 52.8362% (0.98   8.54  98.87) =  50.801%  kept
          HG    LEU  115 - HN    GLN  116   3.55 +/- 1.02  46.595% * 39.1701% (0.73   8.55  98.87) =  47.554%  kept
          QB    ALA  120 - HN    GLN  116   6.71 +/- 0.83   8.396% *  7.4487% (0.73   1.63   0.20) =   1.629%  kept
          HG    LEU   73 - HN    GLN  116  16.57 +/- 6.30   3.822% *  0.0715% (0.57   0.02   0.02) =   0.007%
          HG    LEU   67 - HN    GLN  116  16.58 +/- 2.53   1.025% *  0.1262% (1.00   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    GLN  116  16.56 +/- 2.61   0.571% *  0.1237% (0.98   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    GLN  116  13.89 +/- 2.61   1.232% *  0.0474% (0.38   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN  116  17.40 +/- 3.24   0.489% *  0.0614% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  15.78 +/- 2.12   0.753% *  0.0281% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    GLN  116  22.81 +/- 2.09   0.215% *  0.0867% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.8, residual support = 98.9:
          QD1   LEU  115 - HN    GLN  116   3.63 +/- 0.88  96.706% * 99.6395% (0.49   7.80  98.87) =  99.988%  kept
          QG1   VAL   75 - HN    GLN  116  13.10 +/- 1.49   3.294% *  0.3605% (0.69   0.02   0.02) =   0.012%
    Distance limit 4.54 A violated in 0 structures by 0.00 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   2.64 +/- 1.02  67.551% * 93.4530% (0.57  10.15  98.87) =  98.900%  kept
          QD1   LEU   63 - HN    GLN  116   8.67 +/- 1.95  11.767% *  5.5215% (0.90   0.38   0.02) =   1.018%  kept
          QD1   LEU   73 - HN    GLN  116  14.43 +/- 5.24  12.031% *  0.2916% (0.90   0.02   0.02) =   0.055%
          QD2   LEU   63 - HN    GLN  116   9.84 +/- 1.52   5.347% *  0.2716% (0.84   0.02   0.02) =   0.023%
          QD1   LEU  104 - HN    GLN  116  13.89 +/- 1.90   1.012% *  0.1004% (0.31   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    GLN  116  15.39 +/- 1.63   0.839% *  0.0904% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  19.49 +/- 2.78   0.415% *  0.1711% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  15.63 +/- 1.64   0.642% *  0.0502% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    GLN  116  19.67 +/- 3.32   0.395% *  0.0502% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.713, support = 2.02, residual support = 15.0:
          QD1   ILE  119 - HN    GLN  116   4.85 +/- 1.07  54.130% * 92.2995% (0.73   2.09  15.63) =  95.941%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.80 +/- 0.96  37.992% *  5.3144% (0.38   0.23   0.02) =   3.877%  kept
          QG2   VAL  108 - HN    GLN  116  10.62 +/- 0.91   5.674% *  1.2143% (1.00   0.02   0.02) =   0.132%  kept
          HB2   LEU  104 - HN    GLN  116  15.06 +/- 2.03   2.204% *  1.1718% (0.97   0.02   0.02) =   0.050%
    Distance limit 4.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.746, residual support = 2.11:
          HA    LYS+ 112 - HN    LEU  115   3.29 +/- 0.37  95.920% * 64.3814% (0.90   0.75   2.13) =  99.114%  kept
          HB2   HIS  122 - HN    LEU  115  13.69 +/- 0.85   1.497% * 33.9017% (1.00   0.35   0.02) =   0.815%  kept
          HB    THR   46 - HN    LEU  115  13.10 +/- 2.50   2.583% *  1.7168% (0.90   0.02   0.02) =   0.071%
    Distance limit 4.39 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 = 0.277, support = 4.65, residual support = 89.4:
          HB2   GLN  116 - HN    LEU  115   4.60 +/- 0.20  71.790% * 68.0546% (0.22   5.07  98.87) =  90.437%  kept
          HB2   PRO   58 - HN    LEU  115  10.72 +/- 2.58  17.143% * 29.8423% (0.80   0.62   0.02) =   9.470%  kept
          HG2   PRO   52 - HN    LEU  115  14.16 +/- 2.86   4.067% *  0.5404% (0.45   0.02   0.02) =   0.041%
          HB3   PHE   97 - HN    LEU  115  11.82 +/- 1.50   4.886% *  0.4111% (0.34   0.02   0.02) =   0.037%
          HG3   GLU-  25 - HN    LEU  115  28.07 +/- 5.12   0.692% *  0.7797% (0.65   0.02   0.02) =   0.010%
          HB2   GLU-  79 - HN    LEU  115  21.14 +/- 2.38   0.847% *  0.1860% (0.15   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    LEU  115  23.33 +/- 1.36   0.575% *  0.1860% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 0 structures by 0.20 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.789, support = 7.16, residual support = 204.3:
      O   HB2   LEU  115 - HN    LEU  115   2.32 +/- 0.37  57.828% * 80.3850% (0.80  10.0   7.34 224.55) =  90.045%  kept
          QB    GLU- 114 - HN    LEU  115   3.20 +/- 0.36  26.719% * 19.2200% (0.69   1.0   5.57  21.40) =   9.948%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.98 +/- 1.33  13.126% *  0.0155% (0.15   1.0   0.02   0.02) =   0.004%
          HG3   PRO   58 - HN    LEU  115  10.52 +/- 2.15   1.300% *  0.0839% (0.84   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    LEU  115  20.97 +/- 3.79   0.217% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  18.26 +/- 2.71   0.161% *  0.0839% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.51 +/- 1.97   0.240% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  26.76 +/- 4.84   0.089% *  0.0342% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  20.00 +/- 4.47   0.152% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  23.09 +/- 4.13   0.092% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.67 +/- 2.49   0.076% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 0.938, support = 7.52, residual support = 224.5:
      O   HB3   LEU  115 - HN    LEU  115   3.06 +/- 0.42  53.251% * 78.0709% (0.98  10.0   7.54 224.55) =  83.432%  kept
          HG    LEU  115 - HN    LEU  115   3.72 +/- 0.92  38.330% * 21.5273% (0.73   1.0   7.44 224.55) =  16.559%  kept
          HG    LEU   73 - HN    LEU  115  16.49 +/- 6.04   3.551% *  0.0451% (0.57   1.0   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    LEU  115   8.36 +/- 0.68   2.636% *  0.0578% (0.73   1.0   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    LEU  115  17.39 +/- 2.56   0.405% *  0.0796% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU  115  16.96 +/- 2.19   0.358% *  0.0781% (0.98   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU  115  15.21 +/- 2.45   0.584% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  17.76 +/- 2.70   0.339% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.04 +/- 1.69   0.145% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.53 +/- 2.21   0.400% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.529, support = 1.66, residual support = 7.46:
          QG2   VAL  107 - HN    LEU  115   3.72 +/- 1.25  61.010% * 60.7949% (0.53   1.78   7.61) =  90.147%  kept
          HG13  ILE  119 - HN    LEU  115   8.14 +/- 1.32   9.268% * 31.1635% (0.73   0.66   7.75) =   7.020%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.42 +/- 1.18  23.689% *  4.6616% (0.15   0.47   2.13) =   2.684%  kept
          QB    ALA   20 - HN    LEU  115  18.27 +/- 3.91   2.610% *  1.2956% (1.00   0.02   0.02) =   0.082%
          HG2   LYS+ 121 - HN    LEU  115  11.73 +/- 1.41   2.273% *  0.9923% (0.76   0.02   0.02) =   0.055%
          HB3   LEU   31 - HN    LEU  115  21.76 +/- 3.32   0.419% *  0.8919% (0.69   0.02   0.02) =   0.009%
          HG13  ILE  103 - HN    LEU  115  16.17 +/- 1.89   0.730% *  0.2003% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.92 A violated in 0 structures by 0.12 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 8.85, residual support = 224.2:
          QD2   LEU  115 - HN    LEU  115   3.52 +/- 0.71  74.348% * 97.5631% (0.65   8.87 224.55) =  99.825%  kept
          QD1   LEU   63 - HN    LEU  115   9.33 +/- 2.14   7.514% *  1.3552% (0.31   0.26   0.02) =   0.140%  kept
          QD1   LEU   73 - HN    LEU  115  14.37 +/- 5.00  13.573% *  0.1050% (0.31   0.02   0.02) =   0.020%
          QD1   LEU  104 - HN    LEU  115  13.74 +/- 1.54   1.653% *  0.3051% (0.90   0.02   0.02) =   0.007%
          QG1   VAL   83 - HN    LEU  115  17.40 +/- 2.92   0.869% *  0.3218% (0.95   0.02   0.02) =   0.004%
          QG2   ILE   89 - HN    LEU  115  13.97 +/- 1.60   1.416% *  0.1160% (0.34   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    LEU  115  18.72 +/- 2.88   0.626% *  0.2337% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.41, residual support = 224.5:
          QD1   LEU  115 - HN    LEU  115   3.63 +/- 0.60  96.675% * 99.6820% (0.80   7.41 224.55) =  99.989%  kept
          QG1   VAL   75 - HN    LEU  115  12.46 +/- 1.52   3.325% *  0.3180% (0.95   0.02   0.02) =   0.011%
    Distance limit 4.60 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 = 0.59, support = 6.76, residual support = 138.5:
      O   HB    ILE  103 - HN    ILE  103   2.36 +/- 0.27  58.170% * 65.1401% (0.53  10.0   6.72 138.50) =  76.602%  kept
          HG12  ILE  103 - HN    ILE  103   3.06 +/- 0.55  33.888% * 34.1395% (0.80   1.0   6.89 138.50) =  23.388%  kept
          HB    VAL   41 - HN    ILE  103   8.25 +/- 2.06   2.837% *  0.0801% (0.65   1.0   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    ILE  103   8.54 +/- 0.90   2.375% *  0.0555% (0.45   1.0   0.02   3.18) =   0.003%
          QB    LYS+ 106 - HN    ILE  103   8.33 +/- 1.34   1.449% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ILE  103  21.44 +/- 4.99   0.170% *  0.1214% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  14.76 +/- 1.69   0.365% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.85 +/- 3.62   0.181% *  0.0701% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  19.31 +/- 2.74   0.156% *  0.0555% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  25.53 +/- 2.92   0.061% *  0.1214% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.42 +/- 4.06   0.080% *  0.0603% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  22.07 +/- 3.73   0.103% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.06 +/- 1.03   0.102% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  24.11 +/- 3.07   0.062% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 6.21, residual support = 138.4:
          HG13  ILE  103 - HN    ILE  103   3.54 +/- 0.60  80.373% * 98.5410% (0.65   6.21 138.50) =  99.915%  kept
          HG2   LYS+ 121 - HN    ILE  103  15.06 +/- 6.54   9.993% *  0.4731% (0.97   0.02   0.02) =   0.060%
          QG2   VAL  107 - HN    ILE  103  12.38 +/- 0.81   2.375% *  0.4859% (0.99   0.02   0.02) =   0.015%
          HB3   LEU   31 - HN    ILE  103  13.66 +/- 4.48   5.316% *  0.0859% (0.18   0.02   0.02) =   0.006%
          QB    ALA   20 - HN    ILE  103  18.13 +/- 3.19   1.134% *  0.3171% (0.65   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    ILE  103  18.69 +/- 3.32   0.809% *  0.0970% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.815, support = 6.2, residual support = 138.4:
          QG2   ILE  103 - HN    ILE  103   3.67 +/- 0.15  37.717% * 71.1448% (1.00   6.47 138.50) =  66.443%  kept
          QD1   ILE  103 - HN    ILE  103   3.28 +/- 0.87  48.416% * 27.9357% (0.45   5.67 138.50) =  33.490%  kept
          QD2   LEU   40 - HN    ILE  103   9.00 +/- 2.61  10.285% *  0.2123% (0.97   0.02   0.02) =   0.054%
          QD1   LEU   67 - HN    ILE  103  14.83 +/- 3.23   0.945% *  0.2156% (0.98   0.02   0.02) =   0.005%
          QD2   LEU   71 - HN    ILE  103  12.47 +/- 2.12   1.238% *  0.1245% (0.57   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HN    ILE  103  21.06 +/- 2.12   0.228% *  0.2156% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  16.24 +/- 2.46   0.536% *  0.0904% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  16.80 +/- 3.28   0.635% *  0.0612% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 204.5:
          HG    LEU  104 - HN    LEU  104   3.05 +/- 0.76  79.048% * 75.8589% (0.45   7.43 215.09) =  95.062%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.41 +/- 0.92  13.699% * 22.6039% (0.69   1.45   0.23) =   4.909%  kept
          HB3   LYS+ 121 - HN    LEU  104  11.30 +/- 5.59   4.687% *  0.2041% (0.45   0.02   0.02) =   0.015%
          HG2   LYS+  33 - HN    LEU  104  15.36 +/- 2.72   1.028% *  0.4513% (0.99   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HN    LEU  104  16.80 +/- 2.27   0.729% *  0.2578% (0.57   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    LEU  104  19.91 +/- 2.32   0.460% *  0.2761% (0.61   0.02   0.02) =   0.002%
          QG    LYS+  81 - HN    LEU  104  22.09 +/- 3.09   0.349% *  0.3479% (0.76   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.269, support = 7.06, residual support = 145.5:
      O   HB2   LEU  104 - HN    LEU  104   2.95 +/- 0.53  39.935% * 65.9643% (0.22  10.0   7.38 215.09) =  60.866%  kept
          QG2   ILE  103 - HN    LEU  104   2.59 +/- 0.77  50.904% * 33.2469% (0.34   1.0   6.58  37.42) =  39.103%  kept
          QD2   LEU   40 - HN    LEU  104   7.41 +/- 2.16   6.357% *  0.1442% (0.49   1.0   0.02   0.02) =   0.021%
          QD1   LEU   67 - HN    LEU  104  13.02 +/- 3.39   1.679% *  0.1328% (0.45   1.0   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    LEU  104  14.82 +/- 2.32   0.382% *  0.2937% (0.99   1.0   0.02   0.02) =   0.003%
          QD1   ILE  119 - HN    LEU  104  13.68 +/- 2.58   0.597% *  0.1442% (0.49   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    LEU  104  19.43 +/- 2.23   0.145% *  0.0739% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.775, support = 7.23, residual support = 168.6:
          QD2   LEU  104 - HN    LEU  104   2.82 +/- 1.00  64.896% * 62.7698% (0.80   7.79 215.09) =  77.167%  kept
          QD1   LEU   98 - HN    LEU  104   4.19 +/- 0.72  32.576% * 36.9929% (0.69   5.35  11.38) =  22.829%  kept
          QD1   ILE   19 - HN    LEU  104  14.92 +/- 2.02   1.099% *  0.1303% (0.65   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    LEU  104  14.80 +/- 1.46   0.652% *  0.0621% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU  104  15.56 +/- 2.54   0.777% *  0.0448% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.654, support = 7.56, residual support = 56.0:
          HB2   PHE   97 - HN    ASP- 105   2.60 +/- 0.80  66.086% * 72.0650% (0.69   7.77  59.06) =  91.703%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.52 +/- 1.07  20.172% * 19.4167% (0.25   5.77  23.78) =   7.542%  kept
          QE    LYS+  99 - HN    ASP- 105   8.17 +/- 1.66   4.167% *  6.2430% (0.90   0.52   0.48) =   0.501%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.25 +/- 1.58   6.866% *  1.8680% (0.41   0.34   0.02) =   0.247%  kept
          HB3   TRP   27 - HN    ASP- 105  15.66 +/- 4.24   1.252% *  0.1961% (0.73   0.02   0.02) =   0.005%
          QE    LYS+  38 - HN    ASP- 105  15.19 +/- 2.48   0.570% *  0.1747% (0.65   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    ASP- 105  14.52 +/- 2.06   0.888% *  0.0365% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.58, residual support = 59.1:
          HB3   PHE   97 - HN    ASP- 105   2.73 +/- 0.98  93.798% * 98.7099% (0.90   5.58  59.06) =  99.980%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.57 +/- 0.99   2.600% *  0.3942% (1.00   0.02   0.02) =   0.011%
          HB2   GLN  116 - HN    ASP- 105  15.34 +/- 2.03   1.004% *  0.3864% (0.98   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    ASP- 105  16.40 +/- 2.50   1.332% *  0.1096% (0.28   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    ASP- 105  19.05 +/- 2.98   0.717% *  0.1767% (0.45   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    ASP- 105  20.04 +/- 2.51   0.550% *  0.2232% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 1 structures by 0.08 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.68, residual support = 41.9:
      O   HB2   ASP- 105 - HN    ASP- 105   3.57 +/- 0.21  85.745% * 99.3924% (0.80  10.0   4.68  41.90) =  99.990%  kept
          HG12  ILE  119 - HN    ASP- 105  12.97 +/- 3.38   2.776% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    ASP- 105  11.15 +/- 1.10   3.345% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    ASP- 105  18.83 +/- 3.29   0.930% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  17.83 +/- 1.44   0.732% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  12.69 +/- 1.00   2.065% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  13.09 +/- 1.34   1.916% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    ASP- 105  20.24 +/- 1.91   0.505% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  20.77 +/- 2.23   0.520% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.43 +/- 3.30   0.603% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  18.94 +/- 2.78   0.862% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.773, support = 4.56, residual support = 40.4:
      O   HB3   ASP- 105 - HN    ASP- 105   2.79 +/- 0.23  71.183% * 70.4612% (0.76  10.0   4.59  41.90) =  93.456%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.24 +/- 0.34  12.130% * 21.5611% (0.98   1.0   4.77  23.78) =   4.873%  kept
          HB    ILE  103 - HN    ASP- 105   5.38 +/- 0.54  12.167% *  7.3464% (0.69   1.0   2.32   3.18) =   1.666%  kept
          HB3   GLN   30 - HN    ASP- 105  15.15 +/- 3.34   1.006% *  0.0485% (0.53   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  15.27 +/- 2.17   0.500% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  17.57 +/- 3.39   0.667% *  0.0596% (0.65   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  17.24 +/- 2.53   0.476% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ASP- 105  23.18 +/- 3.83   0.460% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  16.43 +/- 2.24   0.454% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  21.74 +/- 3.13   0.194% *  0.0890% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  22.69 +/- 1.78   0.156% *  0.0851% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.32 +/- 1.07   0.333% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.25 +/- 2.48   0.273% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.546, support = 5.39, residual support = 30.8:
          HG    LEU  104 - HN    ASP- 105   4.39 +/- 0.65  48.916% * 51.0226% (0.45   6.42  35.78) =  58.889%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.09 +/- 0.87  36.408% * 47.7807% (0.69   3.92  23.78) =  41.046%  kept
          HB3   LYS+ 121 - HN    ASP- 105  10.07 +/- 5.38  10.452% *  0.1589% (0.45   0.02   0.02) =   0.039%
          HG2   LYS+  33 - HN    ASP- 105  16.34 +/- 2.75   1.389% *  0.3513% (0.99   0.02   0.02) =   0.012%
          HB3   LYS+ 111 - HN    ASP- 105  14.69 +/- 2.22   1.651% *  0.2007% (0.57   0.02   0.02) =   0.008%
          HD3   LYS+  74 - HN    ASP- 105  19.32 +/- 2.07   0.706% *  0.2150% (0.61   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    ASP- 105  21.67 +/- 2.82   0.477% *  0.2709% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.273, support = 4.72, residual support = 21.9:
          HB2   LEU  104 - HN    ASP- 105   3.01 +/- 0.79  39.938% * 60.6264% (0.22   6.35  35.78) =  57.320%  kept
          QG2   ILE  103 - HN    ASP- 105   2.73 +/- 0.59  48.473% * 37.0896% (0.34   2.53   3.18) =  42.561%  kept
          QD2   LEU   40 - HN    ASP- 105   8.00 +/- 2.26   7.774% *  0.4176% (0.49   0.02   0.02) =   0.077%
          QD1   ILE  119 - HN    ASP- 105  12.42 +/- 2.42   1.557% *  0.4176% (0.49   0.02   0.02) =   0.015%
          QD1   LEU   67 - HN    ASP- 105  12.89 +/- 3.25   1.448% *  0.3846% (0.45   0.02   0.02) =   0.013%
          HB    VAL   75 - HN    ASP- 105  14.32 +/- 1.88   0.633% *  0.8503% (0.99   0.02   0.02) =   0.013%
          HG3   LYS+  74 - HN    ASP- 105  18.93 +/- 1.96   0.177% *  0.2139% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 3.8, residual support = 23.7:
          HB2   ASP- 105 - HN    LYS+ 106   2.89 +/- 0.44  87.075% * 91.1266% (0.98   3.81  23.78) =  99.724%  kept
          HG12  ILE  119 - HN    LYS+ 106  12.59 +/- 2.87   2.821% *  7.0399% (0.41   0.70   0.02) =   0.250%  kept
          HB2   MET   96 - HN    LYS+ 106   8.50 +/- 0.92   7.131% *  0.1505% (0.31   0.02   2.13) =   0.013%
          HG3   MET   92 - HN    LYS+ 106  15.31 +/- 1.58   1.064% *  0.4373% (0.90   0.02   0.02) =   0.006%
          HG2   GLU- 100 - HN    LYS+ 106  15.21 +/- 1.22   0.773% *  0.3726% (0.76   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LYS+ 106  20.65 +/- 2.08   0.350% *  0.4073% (0.84   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    LYS+ 106  21.69 +/- 3.32   0.355% *  0.3904% (0.80   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    LYS+ 106  19.24 +/- 1.91   0.431% *  0.0752% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.968, support = 5.28, residual support = 129.1:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.84 +/- 0.33  64.433% * 86.3811% (0.98  10.0   5.37 135.64) =  94.153%  kept
          HB3   ASP- 105 - HN    LYS+ 106   4.00 +/- 0.31  26.641% * 12.9550% (0.76   1.0   3.85  23.78) =   5.838%  kept
          HB    ILE  103 - HN    LYS+ 106   7.70 +/- 1.08   3.998% *  0.0605% (0.69   1.0   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    LYS+ 106  21.58 +/- 4.50   1.718% *  0.0640% (0.73   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LYS+ 106  15.35 +/- 2.83   0.789% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+ 106  18.44 +/- 2.05   0.276% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.84 +/- 1.10   0.531% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.08 +/- 3.07   0.367% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.60 +/- 3.32   0.290% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  21.29 +/- 2.96   0.193% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  20.83 +/- 1.52   0.186% *  0.0814% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  20.22 +/- 2.32   0.224% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.45 +/- 2.85   0.357% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.67, residual support = 3.29:
          QG2   THR  118 - HN    LYS+ 106   7.26 +/- 3.15 100.000% *100.0000% (0.53   2.67   3.29) = 100.000%  kept
    Distance limit 4.76 A violated in 10 structures by 2.71 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 41.8:
          HB2   PHE   95 - HN    VAL  107   3.04 +/- 0.66 100.000% *100.0000% (1.00   2.31  41.84) = 100.000%  kept
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.1:
      O   HB    VAL  107 - HN    VAL  107   2.62 +/- 0.44  94.747% * 99.7350% (0.99  10.0   3.33  60.11) =  99.996%  kept
          HB3   PHE   45 - HN    VAL  107   9.99 +/- 1.55   2.254% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    VAL  107  11.18 +/- 1.78   2.005% *  0.0691% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    VAL  107  19.94 +/- 2.10   0.309% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  17.62 +/- 2.30   0.434% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  22.52 +/- 2.54   0.251% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.52, support = 5.03, residual support = 25.7:
          QB    LYS+ 106 - HN    VAL  107   3.22 +/- 0.34  72.595% * 84.8023% (0.53   5.11  26.28) =  97.936%  kept
          HB3   ASP- 105 - HN    VAL  107   6.35 +/- 0.62  11.124% * 11.1867% (0.25   1.42   0.02) =   1.980%  kept
          HB    ILE   56 - HN    VAL  107  12.04 +/- 2.67   3.172% *  0.5829% (0.92   0.02   0.02) =   0.029%
          HB2   MET   92 - HN    VAL  107  11.53 +/- 0.85   1.781% *  0.5663% (0.90   0.02   0.02) =   0.016%
          HG2   ARG+  54 - HN    VAL  107  18.09 +/- 3.84   4.015% *  0.1406% (0.22   0.02   0.02) =   0.009%
          HB3   PRO   58 - HN    VAL  107  15.76 +/- 2.86   1.067% *  0.4585% (0.73   0.02   0.02) =   0.008%
          HB    ILE  103 - HN    VAL  107   9.53 +/- 1.22   3.339% *  0.1250% (0.20   0.02   0.02) =   0.007%
          HB3   GLN   30 - HN    VAL  107  17.48 +/- 2.08   0.600% *  0.6189% (0.98   0.02   0.02) =   0.006%
          HB3   LYS+  38 - HN    VAL  107  20.69 +/- 1.89   0.317% *  0.6258% (0.99   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    VAL  107  18.49 +/- 2.62   0.501% *  0.3074% (0.49   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    VAL  107  17.71 +/- 1.31   0.488% *  0.2596% (0.41   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    VAL  107  18.71 +/- 1.33   0.423% *  0.2154% (0.34   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL  107  18.08 +/- 2.81   0.577% *  0.1106% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.13, residual support = 60.0:
          QG1   VAL  107 - HN    VAL  107   2.67 +/- 0.52  91.941% * 91.2122% (0.20   4.13  60.11) =  99.873%  kept
          HG13  ILE  119 - HN    VAL  107  11.70 +/- 2.49   1.882% *  2.2117% (0.99   0.02   0.02) =   0.050%
          HD3   LYS+ 112 - HN    VAL  107  12.71 +/- 1.80   1.407% *  1.3535% (0.61   0.02   0.02) =   0.023%
          QG1   VAL   24 - HN    VAL  107  17.01 +/- 3.83   1.264% *  1.0862% (0.49   0.02   0.02) =   0.016%
          HG2   LYS+ 121 - HN    VAL  107  11.94 +/- 4.16   2.458% *  0.5564% (0.25   0.02   0.02) =   0.016%
          HB3   LEU   31 - HN    VAL  107  17.24 +/- 3.43   0.491% *  2.2265% (1.00   0.02   0.02) =   0.013%
          QB    ALA   20 - HN    VAL  107  16.85 +/- 2.39   0.558% *  1.3535% (0.61   0.02   0.02) =   0.009%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.69, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   2.92 +/- 0.47  86.777% * 99.4150% (0.95  10.0   4.69  65.00) =  99.988%  kept
          HB2   ARG+  54 - HN    VAL  108  17.44 +/- 3.91   4.075% *  0.1030% (0.98   1.0   0.02   0.02) =   0.005%
          HB2   PRO   93 - HN    VAL  108  10.37 +/- 1.76   3.452% *  0.0994% (0.95   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    VAL  108  13.23 +/- 2.25   1.606% *  0.0803% (0.76   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    VAL  108  14.90 +/- 3.60   1.721% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.07 +/- 2.29   0.339% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.23 +/- 1.05   0.277% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  15.99 +/- 3.98   0.935% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.09 +/- 2.76   0.315% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  22.20 +/- 2.65   0.280% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.71 +/- 3.70   0.127% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  33.47 +/- 4.74   0.096% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.27 +/- 0.30  91.669% * 92.9852% (0.28   3.64  19.62) =  99.899%  kept
          HG13  ILE  119 - HN    VAL  108  13.53 +/- 2.00   1.463% *  1.7400% (0.95   0.02   0.02) =   0.030%
          QB    ALA   20 - HN    VAL  108  19.20 +/- 2.73   1.087% *  1.5955% (0.87   0.02   0.02) =   0.020%
          HD3   LYS+ 112 - HN    VAL  108  12.01 +/- 1.37   2.381% *  0.6274% (0.34   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HN    VAL  108  13.92 +/- 3.15   1.659% *  0.8953% (0.49   0.02   0.02) =   0.017%
          HB3   LEU   31 - HN    VAL  108  20.84 +/- 3.63   0.462% *  1.6979% (0.92   0.02   0.02) =   0.009%
          QG1   VAL   24 - HN    VAL  108  19.15 +/- 4.24   1.279% *  0.4586% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.69 A violated in 0 structures by 0.03 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   4.05 +/- 0.32  89.443% * 95.7589% (0.25   4.66  19.62) =  99.838%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.94 +/- 0.92   5.088% *  1.0003% (0.61   0.02   0.02) =   0.059%
          HG    LEU   63 - HN    VAL  108  15.00 +/- 3.56   2.920% *  1.5916% (0.97   0.02   0.02) =   0.054%
          QG2   VAL   24 - HN    VAL  108  18.25 +/- 4.32   2.549% *  1.6492% (1.00   0.02   0.02) =   0.049%
    Distance limit 3.56 A violated in 0 structures by 0.51 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.4:
      O   HA    VAL   75 - HN    ASP-  76   2.21 +/- 0.04  94.990% * 99.6957% (0.69  10.0   4.64  26.44) =  99.995%  kept
          HA    ALA   61 - HN    ASP-  76  11.49 +/- 2.58   4.188% *  0.0997% (0.69   1.0   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    ASP-  76  16.13 +/- 3.05   0.453% *  0.1340% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ASP-  76  15.77 +/- 2.62   0.368% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.67, residual support = 35.7:
      O   HB2   ASP-  76 - HN    ASP-  76   3.12 +/- 0.41  85.794% * 96.3982% (1.00  10.0   3.67  35.85) =  99.656%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.16 +/- 1.11   8.234% *  3.4495% (0.73   1.0   0.99   4.64) =   0.342%  kept
          QE    LYS+  66 - HN    ASP-  76  16.13 +/- 3.21   3.578% *  0.0215% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASP-  76  18.10 +/- 2.91   0.807% *  0.0945% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  16.76 +/- 5.13   0.979% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  18.48 +/- 3.96   0.608% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.279, support = 3.7, residual support = 35.7:
      O   HB3   ASP-  76 - HN    ASP-  76   2.78 +/- 0.53  71.554% * 94.0208% (0.28  10.0   3.72  35.85) =  99.502%  kept
          HB2   ASP-  44 - HN    ASP-  76   7.93 +/- 2.75   7.347% *  4.1160% (0.45   1.0   0.54   0.02) =   0.447%  kept
          QG    GLU-  15 - HN    ASP-  76  18.39 +/- 7.46  13.050% *  0.1153% (0.34   1.0   0.02   0.02) =   0.022%
          HG3   MET   92 - HN    ASP-  76  14.04 +/- 3.99   2.630% *  0.2933% (0.87   1.0   0.02   0.02) =   0.011%
          QG    GLN   90 - HN    ASP-  76  13.09 +/- 2.11   1.698% *  0.2188% (0.65   1.0   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    ASP-  76  11.14 +/- 0.70   1.690% *  0.1915% (0.57   1.0   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    ASP-  76  17.97 +/- 5.11   0.606% *  0.3199% (0.95   1.0   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    ASP-  76  16.60 +/- 1.37   0.440% *  0.3199% (0.95   1.0   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    ASP-  76  19.12 +/- 5.60   0.437% *  0.1646% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    ASP-  76  18.61 +/- 1.64   0.347% *  0.1646% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.77 +/- 2.13   0.200% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.4:
          QG1   VAL   75 - HN    ASP-  76   3.17 +/- 0.46  96.696% * 99.7155% (0.69   4.97  26.44) =  99.990%  kept
          QD1   LEU  115 - HN    ASP-  76  13.18 +/- 2.30   3.304% *  0.2845% (0.49   0.02   0.02) =   0.010%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.63, residual support = 26.4:
          QG2   VAL   75 - HN    ASP-  76   3.45 +/- 0.64  94.792% * 97.4974% (0.98   4.63  26.44) =  99.859%  kept
          QG2   VAL   42 - HN    ASP-  76  10.22 +/- 1.79   5.208% *  2.5026% (0.90   0.13   0.02) =   0.141%  kept
    Distance limit 4.47 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 = 9.28:
      O   HA2   GLY  109 - HN    GLY  109   2.51 +/- 0.23  96.609% * 99.3336% (0.43  10.0   2.20   9.29) =  99.995%  kept
          HA    THR  118 - HN    GLY  109  13.32 +/- 1.68   0.834% *  0.1522% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    GLY  109  14.07 +/- 2.55   0.843% *  0.1341% (0.58   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    GLY  109  16.88 +/- 3.61   0.662% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    GLY  109  14.99 +/- 2.04   0.533% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  15.89 +/- 2.53   0.519% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.684, support = 0.137, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   6.96 +/- 1.92  44.144% * 65.4303% (0.70   0.15   0.02) =  91.181%  kept
          HG12  ILE   89 - HN    GLY  109  11.88 +/- 3.09  17.041% *  9.2487% (0.73   0.02   0.02) =   4.975%  kept
          HD2   LYS+ 112 - HN    GLY  109  10.71 +/- 2.02  23.203% *  1.8966% (0.15   0.02   0.02) =   1.389%  kept
          HG2   LYS+  74 - HN    GLY  109  17.20 +/- 2.41   6.171% *  5.8127% (0.46   0.02   0.02) =   1.132%  kept
          HG    LEU   71 - HN    GLY  109  20.88 +/- 3.85   2.886% *  6.1996% (0.49   0.02   0.02) =   0.565%  kept
          HG3   LYS+  99 - HN    GLY  109  21.22 +/- 0.98   2.025% *  5.4257% (0.43   0.02   0.02) =   0.347%  kept
          HB3   LEU   71 - HN    GLY  109  20.44 +/- 3.32   2.737% *  2.3897% (0.19   0.02   0.02) =   0.206%  kept
          HG13  ILE   19 - HN    GLY  109  23.22 +/- 3.09   1.793% *  3.5968% (0.28   0.02   0.02) =   0.204%  kept
    Distance limit 4.69 A violated in 8 structures by 1.73 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 = 7.5:
          QG1   VAL  108 - HN    GLY  109   2.58 +/- 0.39  98.135% * 98.9381% (0.65   3.09   7.50) =  99.993%  kept
          QD1   LEU   40 - HN    GLY  109  15.59 +/- 1.65   0.648% *  0.5069% (0.52   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    GLY  109  16.35 +/- 2.97   0.687% *  0.2517% (0.26   0.02   0.02) =   0.002%
          QD2   LEU   67 - HN    GLY  109  17.23 +/- 1.98   0.531% *  0.3034% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.10 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 = 6.38:
      O   HA2   GLY  109 - HN    ALA  110   2.89 +/- 0.29  94.805% * 99.3336% (0.57  10.0   2.20   6.38) =  99.993%  kept
          HA    THR  118 - HN    ALA  110  13.27 +/- 1.47   1.270% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  14.59 +/- 2.05   0.984% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA  110  16.64 +/- 3.10   0.931% *  0.1620% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    ALA  110  14.94 +/- 2.55   1.087% *  0.1341% (0.76   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ALA  110  16.37 +/- 2.62   0.924% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.264, support = 0.69, residual support = 4.35:
          HG2   PRO   93 - HN    ALA  110   5.77 +/- 2.87  42.441% * 54.6666% (0.22   0.75   4.74) =  91.773%  kept
          HB3   PRO   52 - HN    ALA  110  10.72 +/- 3.36  15.655% *  6.4182% (0.98   0.02   0.02) =   3.974%  kept
          HG2   ARG+  54 - HN    ALA  110  14.42 +/- 3.23   6.583% *  3.1872% (0.49   0.02   0.02) =   0.830%  kept
          QB    LYS+ 106 - HN    ALA  110   8.97 +/- 0.90  14.755% *  1.2958% (0.20   0.02   0.02) =   0.756%  kept
          HB3   ASP- 105 - HN    ALA  110  13.76 +/- 1.15   4.027% *  2.9356% (0.45   0.02   0.02) =   0.468%  kept
          HG12  ILE  103 - HN    ALA  110  16.79 +/- 1.42   2.183% *  5.2431% (0.80   0.02   0.02) =   0.453%  kept
          HG    LEU  123 - HN    ALA  110  19.08 +/- 1.59   1.438% *  6.4182% (0.98   0.02   0.02) =   0.365%  kept
          HB    VAL   41 - HN    ALA  110  18.46 +/- 1.80   1.766% *  4.2358% (0.65   0.02   0.02) =   0.296%  kept
          HB    ILE  103 - HN    ALA  110  16.96 +/- 1.29   2.119% *  3.4450% (0.53   0.02   0.02) =   0.289%  kept
          HB3   GLN   90 - HN    ALA  110  14.17 +/- 2.23   3.759% *  1.8205% (0.28   0.02   0.02) =   0.271%  kept
          QB    LYS+  66 - HN    ALA  110  18.12 +/- 2.83   1.694% *  2.9356% (0.45   0.02   0.02) =   0.197%  kept
          HG3   PRO   68 - HN    ALA  110  22.02 +/- 3.16   1.123% *  3.7071% (0.57   0.02   0.02) =   0.165%  kept
          QB    LYS+  81 - HN    ALA  110  17.54 +/- 2.54   1.713% *  1.4578% (0.22   0.02   0.02) =   0.099%
          QB    LYS+  33 - HN    ALA  110  24.44 +/- 1.44   0.744% *  2.2335% (0.34   0.02   0.02) =   0.066%
    Distance limit 4.45 A violated in 5 structures by 0.95 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.57:
      O   QB    ALA  110 - HN    ALA  110   2.64 +/- 0.25  88.728% * 98.9553% (0.69  10.0   2.12   9.58) =  99.989%  kept
          QB    ALA   61 - HN    ALA  110  12.37 +/- 2.67   2.662% *  0.1292% (0.90   1.0   0.02   0.02) =   0.004%
          HB3   LEU  115 - HN    ALA  110   7.60 +/- 1.58   5.565% *  0.0592% (0.41   1.0   0.02   0.02) =   0.004%
          HG    LEU   73 - HN    ALA  110  17.59 +/- 3.95   0.689% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA  110  19.33 +/- 4.63   0.437% *  0.1046% (0.73   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA  110  18.84 +/- 2.89   0.318% *  0.1428% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  19.29 +/- 2.82   0.302% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.61 +/- 1.56   0.166% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.62 +/- 2.99   0.175% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.76 +/- 1.89   0.247% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.56 +/- 4.03   0.446% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.28 +/- 2.35   0.264% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.05, residual support = 314.5:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.12 +/- 0.59  60.638% * 99.3619% (1.00  10.0   7.05 314.61) =  99.966%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.02 +/- 1.06  36.268% *  0.0524% (0.53   1.0   0.02   0.12) =   0.032%
          HB    ILE  119 - HN    LYS+ 111  11.73 +/- 1.30   1.545% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+ 111  22.56 +/- 2.88   0.229% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  24.94 +/- 3.05   0.166% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  25.69 +/- 3.97   0.134% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  21.45 +/- 3.17   0.268% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.22 +/- 2.58   0.167% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  27.70 +/- 3.78   0.100% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  22.90 +/- 2.90   0.179% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.27 +/- 1.77   0.175% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.66 +/- 1.36   0.130% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.48, residual support = 314.6:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.72 +/- 0.54  93.039% * 99.4649% (0.92  10.0   5.48 314.61) =  99.994%  kept
          HD3   LYS+  74 - HN    LYS+ 111  18.36 +/- 3.70   3.672% *  0.0966% (0.90   1.0   0.02   0.02) =   0.004%
          HB3   LYS+ 121 - HN    LYS+ 111  14.33 +/- 1.35   0.751% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    LYS+ 111  18.17 +/- 1.62   0.416% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  14.54 +/- 1.87   0.865% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  18.99 +/- 2.85   0.312% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.06 +/- 2.93   0.462% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.62 +/- 2.12   0.336% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  26.14 +/- 2.12   0.147% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.894, support = 6.45, residual support = 303.0:
          HG3   LYS+ 111 - HN    LYS+ 111   3.44 +/- 0.58  72.432% * 86.9360% (0.92   6.55 314.61) =  95.942%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.61 +/- 1.65  21.957% * 12.0831% (0.20   4.24  28.51) =   4.042%  kept
          HG2   LYS+  74 - HN    LYS+ 111  17.62 +/- 3.15   2.712% *  0.1745% (0.61   0.02   0.02) =   0.007%
          HG12  ILE   89 - HN    LYS+ 111  15.00 +/- 2.78   1.276% *  0.2777% (0.97   0.02   0.02) =   0.005%
          HG    LEU   71 - HN    LYS+ 111  21.33 +/- 4.12   0.511% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  22.17 +/- 1.43   0.299% *  0.1629% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  23.27 +/- 3.09   0.341% *  0.1080% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    LYS+ 111  20.99 +/- 3.61   0.472% *  0.0717% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.743, support = 1.84, residual support = 1.63:
          QD1   ILE   56 - HN    LYS+ 111   6.73 +/- 2.29  60.227% * 80.4868% (0.76   1.94   1.77) =  92.308%  kept
          QD2   LEU   73 - HN    LYS+ 111  14.97 +/- 3.49  22.147% * 17.7266% (0.49   0.67   0.02) =   7.476%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  15.30 +/- 1.83   7.163% *  1.0467% (0.97   0.02   0.02) =   0.143%  kept
          QD2   LEU  123 - HN    LYS+ 111  15.53 +/- 1.13   7.276% *  0.3699% (0.34   0.02   0.02) =   0.051%
          HG    LEU   31 - HN    LYS+ 111  23.02 +/- 2.85   3.187% *  0.3699% (0.34   0.02   0.02) =   0.022%
    Distance limit 3.91 A violated in 12 structures by 2.52 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.76, residual support = 237.6:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.06  95.866% * 99.8622% (0.87  10.0   5.76 237.63) =  99.998%  kept
          HB    THR   46 - HN    LYS+ 112  12.53 +/- 3.05   3.361% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.50 +/- 0.93   0.405% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  24.96 +/- 6.22   0.367% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.866, support = 7.0, residual support = 28.4:
          HB2   LYS+ 111 - HN    LYS+ 112   3.84 +/- 0.35  63.755% * 97.2887% (0.87   7.02  28.51) =  99.719%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.48 +/- 0.48  24.459% *  0.6521% (0.28   0.15   0.33) =   0.256%  kept
          HB    ILE  119 - HN    LYS+ 112  10.84 +/- 1.06   3.287% *  0.1555% (0.49   0.02   0.02) =   0.008%
          HB    VAL  108 - HN    LYS+ 112  11.33 +/- 0.63   2.660% *  0.0888% (0.28   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    LYS+ 112  11.92 +/- 1.67   2.592% *  0.0711% (0.22   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    LYS+ 112  21.80 +/- 2.23   0.409% *  0.3194% (1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LYS+ 112  25.70 +/- 4.73   0.400% *  0.2558% (0.80   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    LYS+ 112  25.08 +/- 3.76   0.373% *  0.2558% (0.80   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LYS+ 112  25.13 +/- 3.33   0.287% *  0.2558% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.13 +/- 2.98   0.341% *  0.1555% (0.49   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  28.79 +/- 4.75   0.244% *  0.1937% (0.61   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    LYS+ 112  23.40 +/- 4.25   0.535% *  0.0711% (0.22   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+ 112  27.38 +/- 1.29   0.182% *  0.1808% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 112  20.77 +/- 2.54   0.476% *  0.0559% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 5.74, residual support = 237.6:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.62 +/- 0.56  76.325% * 98.9690% (0.76  10.0   5.74 237.63) =  99.987%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.61 +/- 2.55  14.656% *  0.0200% (0.15   1.0   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    LYS+ 112  18.33 +/- 5.93   2.132% *  0.1123% (0.87   1.0   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    LYS+ 112  18.66 +/- 4.72   3.852% *  0.0532% (0.41   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LYS+ 112  16.62 +/- 2.23   0.532% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+ 112  17.92 +/- 2.05   0.430% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+ 112  15.19 +/- 1.04   0.494% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  17.93 +/- 1.14   0.339% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  16.24 +/- 1.58   0.509% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  27.14 +/- 4.78   0.184% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  27.08 +/- 2.64   0.121% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  24.95 +/- 1.40   0.118% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  21.43 +/- 3.51   0.307% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.857, support = 6.05, residual support = 237.6:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.95 +/- 0.64  54.022% * 84.2071% (0.90  10.0   5.96 237.63) =  90.261%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.21 +/- 1.12  31.442% * 15.5973% (0.49   1.0   6.83 237.63) =   9.731%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.24 +/- 1.30  11.807% *  0.0186% (0.20   1.0   0.02   0.02) =   0.004%
          QG2   THR   94 - HN    LYS+ 112  10.03 +/- 1.19   2.294% *  0.0814% (0.87   1.0   0.02   0.02) =   0.004%
          HG13  ILE  103 - HN    LYS+ 112  19.14 +/- 1.52   0.226% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  21.44 +/- 4.17   0.209% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.22, residual support = 237.3:
          HG2   LYS+ 112 - HN    LYS+ 112   3.83 +/- 0.48  84.559% * 98.1762% (0.34   6.23 237.63) =  99.881%  kept
          QB    ALA   47 - HN    LYS+ 112  11.81 +/- 2.21   8.039% *  0.7397% (0.80   0.02   0.02) =   0.072%
          QG1   VAL   42 - HN    LYS+ 112  12.22 +/- 1.79   3.225% *  0.6345% (0.69   0.02   0.02) =   0.025%
          QB    ALA   64 - HN    LYS+ 112  13.19 +/- 2.21   4.177% *  0.4496% (0.49   0.02   0.02) =   0.023%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.75, support = 1.65, residual support = 6.8:
          QD1   ILE   56 - HN    LYS+ 112   5.70 +/- 1.92  66.147% * 84.7073% (0.76   1.71   7.16) =  94.994%  kept
          QD2   LEU   73 - HN    LYS+ 112  15.30 +/- 4.79  21.795% * 13.1611% (0.49   0.42   0.02) =   4.863%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.31 +/- 1.19   3.851% *  1.2488% (0.97   0.02   0.02) =   0.082%
          QD2   LEU  123 - HN    LYS+ 112  14.66 +/- 1.17   5.775% *  0.4414% (0.34   0.02   0.02) =   0.043%
          HG    LEU   31 - HN    LYS+ 112  24.18 +/- 3.72   2.431% *  0.4414% (0.34   0.02   0.02) =   0.018%
    Distance limit 4.06 A violated in 8 structures by 1.50 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 237.6:
          HG3   LYS+ 112 - HN    LYS+ 112   3.29 +/- 0.57  93.690% * 99.2158% (0.87   5.93 237.63) =  99.989%  kept
          HG    LEU   63 - HN    LYS+ 112  14.41 +/- 2.14   1.374% *  0.3784% (0.98   0.02   0.02) =   0.006%
          QG2   VAL  108 - HN    LYS+ 112   9.81 +/- 0.70   4.293% *  0.0596% (0.15   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    LYS+ 112  20.82 +/- 4.07   0.642% *  0.3462% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.15 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.23, residual support = 15.3:
      O   HA    LYS+ 112 - HN    ASP- 113   3.54 +/- 0.03  95.094% * 99.8622% (0.74  10.0   5.23  15.28) =  99.998%  kept
          HB    THR   46 - HN    ASP- 113  14.37 +/- 2.94   3.163% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    ASP- 113  16.61 +/- 0.72   0.942% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  25.68 +/- 6.72   0.801% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.48, residual support = 14.4:
      O   QB    ASP- 113 - HN    ASP- 113   2.20 +/- 0.18 100.000% *100.0000% (0.82  10.0   3.48  14.43) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.265, support = 3.01, residual support = 22.7:
          QG    GLU- 114 - HN    ASP- 113   4.70 +/- 0.58  68.811% * 93.8790% (0.26   3.03  22.81) =  99.430%  kept
          HG2   PRO   52 - HN    ASP- 113  13.73 +/- 3.82  15.085% *  1.5347% (0.65   0.02   0.02) =   0.356%  kept
          HB2   PRO   58 - HN    ASP- 113  11.38 +/- 2.60  10.362% *  0.9775% (0.41   0.02   0.02) =   0.156%  kept
          HG2   MET   92 - HN    ASP- 113  13.40 +/- 2.04   4.020% *  0.5007% (0.21   0.02   0.02) =   0.031%
          HG3   GLU-  25 - HN    ASP- 113  30.54 +/- 5.39   0.438% *  1.8537% (0.79   0.02   0.02) =   0.013%
          HB2   GLU-  79 - HN    ASP- 113  22.84 +/- 3.54   1.020% *  0.7537% (0.32   0.02   0.02) =   0.012%
          HG3   GLU-  36 - HN    ASP- 113  31.02 +/- 2.15   0.264% *  0.5007% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.78 A violated in 0 structures by 0.10 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.729, support = 2.49, residual support = 9.42:
          HB2   LYS+ 111 - HN    ASP- 113   3.60 +/- 0.75  60.451% * 54.7849% (0.85   2.18   3.65) =  69.871%  kept
          QB    GLU- 114 - HN    ASP- 113   4.52 +/- 0.36  33.770% * 42.2549% (0.45   3.19  22.81) =  30.105%  kept
          HB    ILE  119 - HN    ASP- 113   9.70 +/- 0.81   3.441% *  0.1255% (0.21   0.02   0.02) =   0.009%
          HB3   PRO   68 - HN    ASP- 113  21.97 +/- 2.30   0.327% *  0.4514% (0.76   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASP- 113  25.80 +/- 4.43   0.266% *  0.4933% (0.84   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    ASP- 113  25.13 +/- 2.77   0.207% *  0.4933% (0.84   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ASP- 113  29.26 +/- 5.09   0.195% *  0.4366% (0.74   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASP- 113  23.72 +/- 4.19   0.351% *  0.2256% (0.38   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    ASP- 113  20.87 +/- 2.68   0.361% *  0.1889% (0.32   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP- 113  25.40 +/- 3.70   0.246% *  0.2648% (0.45   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  24.44 +/- 2.85   0.239% *  0.1255% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  27.16 +/- 1.52   0.147% *  0.1553% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.15, residual support = 15.3:
          HB2   LYS+ 112 - HN    ASP- 113   3.44 +/- 0.31  83.823% * 96.1112% (0.65   5.15  15.28) =  99.957%  kept
          HB3   LEU   73 - HN    ASP- 113  19.28 +/- 5.76   1.907% *  0.4237% (0.74   0.02   0.02) =   0.010%
          HB3   PRO   93 - HN    ASP- 113  10.47 +/- 2.41   7.168% *  0.0754% (0.13   0.02   0.02) =   0.007%
          HB    VAL   42 - HN    ASP- 113  17.02 +/- 2.09   0.855% *  0.4509% (0.79   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    ASP- 113  15.31 +/- 1.30   1.073% *  0.3160% (0.55   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    ASP- 113  19.73 +/- 4.70   1.477% *  0.2008% (0.35   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ASP- 113  18.56 +/- 2.18   0.618% *  0.4509% (0.79   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ASP- 113  14.93 +/- 1.65   1.291% *  0.1833% (0.32   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  18.10 +/- 0.73   0.613% *  0.3355% (0.59   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    ASP- 113  27.17 +/- 5.07   0.370% *  0.4509% (0.79   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    ASP- 113  24.78 +/- 1.81   0.249% *  0.4080% (0.71   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  27.16 +/- 2.35   0.197% *  0.4714% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  23.10 +/- 3.55   0.360% *  0.1218% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.68, support = 4.92, residual support = 15.0:
          HB3   LYS+ 112 - HN    ASP- 113   3.75 +/- 0.48  56.314% * 58.1138% (0.76   4.79  15.28) =  76.876%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.54 +/- 0.86  24.738% * 37.0719% (0.41   5.63  15.28) =  21.543%  kept
          QG2   VAL  107 - HN    ASP- 113   6.39 +/- 1.17  15.463% *  4.3043% (0.17   1.61   0.10) =   1.563%  kept
          QG2   THR   94 - HN    ASP- 113  10.99 +/- 0.90   2.621% *  0.2346% (0.74   0.02   0.02) =   0.014%
          HG13  ILE  103 - HN    ASP- 113  19.32 +/- 1.74   0.483% *  0.1641% (0.52   0.02   0.02) =   0.002%
          HB3   LEU   71 - HN    ASP- 113  21.80 +/- 4.11   0.381% *  0.1112% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.35, residual support = 22.8:
      O   HA    ASP- 113 - HN    GLU- 114   3.60 +/- 0.04  88.939% * 99.6702% (1.00  10.0   3.35  22.81) =  99.993%  kept
          HA    ILE   56 - HN    GLU- 114   9.80 +/- 1.25   5.046% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    GLU- 114  10.84 +/- 1.10   3.811% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    GLU- 114  16.44 +/- 0.62   0.952% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  20.63 +/- 1.59   0.510% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  26.58 +/- 3.09   0.253% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  21.57 +/- 2.59   0.488% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.35, residual support = 22.8:
          QB    ASP- 113 - HN    GLU- 114   2.68 +/- 0.29  99.104% * 99.8625% (0.97   3.35  22.81) =  99.999%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.74 +/- 1.39   0.896% *  0.1375% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 4.46, residual support = 44.1:
          QG    GLU- 114 - HN    GLU- 114   2.78 +/- 0.57  95.076% * 97.7588% (0.84   4.46  44.07) =  99.975%  kept
          HG2   PRO   52 - HN    GLU- 114  14.76 +/- 3.35   2.897% *  0.5141% (0.98   0.02   0.02) =   0.016%
          HG2   MET   92 - HN    GLU- 114  13.34 +/- 2.01   1.396% *  0.4008% (0.76   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HN    GLU- 114  22.76 +/- 3.00   0.292% *  0.4704% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    GLU- 114  29.75 +/- 5.34   0.237% *  0.4550% (0.87   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  29.73 +/- 2.34   0.101% *  0.4008% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.839, support = 4.14, residual support = 41.4:
      O   QB    GLU- 114 - HN    GLU- 114   2.23 +/- 0.23  62.782% * 89.5932% (0.84  10.0   4.27  44.07) =  93.971%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.34 +/- 1.11  36.639% *  9.8491% (0.90   1.0   2.05   0.12) =   6.029%  kept
          HB    ILE   19 - HN    GLU- 114  23.00 +/- 4.00   0.109% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  28.48 +/- 5.10   0.072% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU- 114  20.40 +/- 2.85   0.105% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  25.18 +/- 4.11   0.075% *  0.1015% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.45 +/- 2.48   0.059% *  0.1015% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  21.58 +/- 2.40   0.084% *  0.0651% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  24.38 +/- 3.59   0.075% *  0.0267% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 0.0879, residual support = 0.113:
          HB3   LYS+ 111 - HN    GLU- 114   3.51 +/- 0.55  83.352% * 45.6582% (0.92   0.09   0.12) =  96.522%  kept
          HD3   LYS+  74 - HN    GLU- 114  19.33 +/- 4.58   7.706% *  9.8133% (0.90   0.02   0.02) =   1.918%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.07 +/- 1.19   2.431% * 10.7255% (0.98   0.02   0.02) =   0.661%  kept
          HD2   LYS+ 121 - HN    GLU- 114  12.21 +/- 1.85   2.781% *  4.4985% (0.41   0.02   0.02) =   0.317%  kept
          HG    LEU  104 - HN    GLU- 114  17.69 +/- 1.92   0.808% * 10.7255% (0.98   0.02   0.02) =   0.220%  kept
          QD    LYS+  66 - HN    GLU- 114  17.80 +/- 2.83   0.849% *  8.7618% (0.80   0.02   0.02) =   0.189%  kept
          QG2   THR   26 - HN    GLU- 114  21.33 +/- 3.83   1.000% *  3.0423% (0.28   0.02   0.02) =   0.077%
          HG2   LYS+  65 - HN    GLU- 114  19.19 +/- 2.10   0.781% *  3.7325% (0.34   0.02   0.02) =   0.074%
          HG2   LYS+  33 - HN    GLU- 114  25.89 +/- 2.72   0.292% *  3.0423% (0.28   0.02   0.02) =   0.023%
    Distance limit 4.25 A violated in 0 structures by 0.02 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 = 0.492, support = 1.34, residual support = 5.2:
          QG2   VAL  107 - HN    GLU- 114   4.91 +/- 1.02  57.929% * 66.0639% (0.53   1.40   5.90) =  87.580%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.71 +/- 0.90  28.162% * 15.5299% (0.15   1.12   0.33) =  10.009%  kept
          HG13  ILE  119 - HN    GLU- 114  10.20 +/- 1.31   7.028% * 13.7300% (0.73   0.21   0.02) =   2.208%  kept
          HG2   LYS+ 121 - HN    GLU- 114  12.97 +/- 1.60   3.091% *  1.3728% (0.76   0.02   0.02) =   0.097%
          QB    ALA   20 - HN    GLU- 114  19.92 +/- 4.24   1.993% *  1.7923% (1.00   0.02   0.02) =   0.082%
          HB3   LEU   31 - HN    GLU- 114  23.62 +/- 3.49   0.574% *  1.2339% (0.69   0.02   0.02) =   0.016%
          HG13  ILE  103 - HN    GLU- 114  17.50 +/- 2.00   1.223% *  0.2772% (0.15   0.02   0.02) =   0.008%
    Distance limit 4.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.08 +/- 0.52  96.409% * 99.4046% (0.57  10.0   3.86  14.94) =  99.996%  kept
          HA    GLN   30 - HN    GLY  101  13.56 +/- 3.19   2.474% *  0.1065% (0.61   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    GLY  101  23.46 +/- 6.32   0.636% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  26.97 +/- 2.86   0.184% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  26.30 +/- 1.90   0.179% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  30.56 +/- 2.74   0.119% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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   2.75 +/- 0.27  98.893% * 99.9154% (0.53  10.0   2.86  15.43) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.87 +/- 3.84   0.948% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  24.42 +/- 1.29   0.158% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.38, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.29 +/- 0.13  97.818% * 99.4046% (0.57  10.0   6.38  75.74) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  11.99 +/- 3.43   1.801% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLU- 100  23.46 +/- 5.59   0.163% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.92 +/- 2.54   0.085% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.86 +/- 2.04   0.084% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.75 +/- 2.25   0.050% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.34 +/- 0.46  85.852% * 97.4376% (0.69   4.30  75.74) =  99.898%  kept
          QB    GLN   32 - HN    GLU- 100  10.80 +/- 3.00  10.869% *  0.6469% (0.98   0.02   0.02) =   0.084%
          HB2   PRO   68 - HN    GLU- 100  16.88 +/- 4.07   1.279% *  0.6469% (0.98   0.02   0.02) =   0.010%
          HB    VAL   24 - HN    GLU- 100  18.59 +/- 3.33   0.787% *  0.6243% (0.95   0.02   0.02) =   0.006%
          HB2   GLU-  14 - HN    GLU- 100  20.86 +/- 3.95   0.483% *  0.1469% (0.22   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  24.25 +/- 2.47   0.262% *  0.1835% (0.28   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLU- 100  26.16 +/- 4.68   0.301% *  0.1306% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  29.17 +/- 2.35   0.166% *  0.1835% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 39.8:
          HB2   LYS+  99 - HN    GLU- 100   4.26 +/- 0.26  95.273% * 99.1218% (0.73   5.59  39.84) =  99.982%  kept
          HB    VAL   43 - HN    GLU- 100  13.47 +/- 1.57   3.588% *  0.4081% (0.84   0.02   0.02) =   0.016%
          QD    LYS+  81 - HN    GLU- 100  25.73 +/- 3.46   0.525% *  0.3734% (0.76   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    GLU- 100  24.85 +/- 3.90   0.614% *  0.0967% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.37, residual support = 39.8:
          HG2   LYS+  99 - HN    GLU- 100   2.85 +/- 0.64  78.081% * 98.3920% (0.90   6.38  39.84) =  99.938%  kept
          HB2   LEU   31 - HN    GLU- 100  10.65 +/- 3.38  14.849% *  0.1948% (0.57   0.02   0.02) =   0.038%
          HG2   LYS+  38 - HN    GLU- 100   9.16 +/- 2.30   4.551% *  0.3321% (0.97   0.02   0.02) =   0.020%
          QG2   THR   77 - HN    GLU- 100  17.77 +/- 1.80   0.490% *  0.2087% (0.61   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLU- 100  22.99 +/- 3.66   0.256% *  0.3255% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLU- 100  17.33 +/- 2.37   0.697% *  0.1062% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 100  23.49 +/- 5.59   0.344% *  0.1415% (0.41   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  17.48 +/- 1.75   0.562% *  0.0766% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  24.22 +/- 1.50   0.171% *  0.2226% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.82, residual support = 173.1:
      O   HB2   LYS+  99 - HN    LYS+  99   3.19 +/- 0.33  89.380% * 99.7262% (0.99  10.0   4.82 173.11) =  99.996%  kept
          HB    VAL   43 - HN    LYS+  99  11.31 +/- 1.34   2.455% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LYS+  99  19.79 +/- 3.72   0.834% *  0.0570% (0.57   1.0   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    LYS+  99  24.23 +/- 3.39   0.268% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  13.68 +/- 3.14   2.076% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  14.47 +/- 4.12   1.974% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  12.92 +/- 2.43   2.211% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  22.14 +/- 6.86   0.801% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 4.0, residual support = 18.6:
          QB    LEU   98 - HN    LYS+  99   3.20 +/- 0.31  65.419% * 93.7931% (0.57   4.00  18.60) =  99.907%  kept
          HD3   LYS+ 121 - HN    LYS+  99  12.82 +/- 5.63   2.953% *  0.7185% (0.87   0.02   0.02) =   0.035%
          HG12  ILE   19 - HN    LYS+  99  16.93 +/- 2.13   0.529% *  0.7429% (0.90   0.02   0.02) =   0.006%
          HG12  ILE   19 - HN    GLN   30   8.59 +/- 2.29   7.557% *  0.0488% (0.06   0.02  13.23) =   0.006%
          HB3   LEU   67 - HN    LYS+  99  15.81 +/- 3.54   0.988% *  0.3714% (0.45   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LYS+  99  18.13 +/- 2.31   0.505% *  0.6919% (0.84   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    LYS+  99  21.60 +/- 6.65   0.520% *  0.6633% (0.80   0.02   0.02) =   0.006%
          HB2   LEU   80 - HN    LYS+  99  21.50 +/- 5.19   0.406% *  0.7994% (0.97   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    LYS+  99  17.76 +/- 1.60   0.464% *  0.6919% (0.84   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    LYS+  99  17.65 +/- 1.66   0.449% *  0.5024% (0.61   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LYS+  99  21.39 +/- 4.40   0.737% *  0.2557% (0.31   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LYS+  99  14.76 +/- 2.54   1.024% *  0.1278% (0.15   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    LYS+  99  18.30 +/- 3.26   0.562% *  0.2303% (0.28   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    GLN   30  19.66 +/- 8.90   1.549% *  0.0436% (0.05   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    GLN   30  19.66 +/- 7.85   1.240% *  0.0525% (0.06   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN   30   9.71 +/- 5.19   6.805% *  0.0084% (0.01   0.02   2.63) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.04 +/- 2.42   1.802% *  0.0308% (0.04   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  13.32 +/- 2.86   1.182% *  0.0455% (0.05   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  14.26 +/- 3.96   2.214% *  0.0168% (0.02   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    GLN   30  19.25 +/- 5.94   0.787% *  0.0472% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  16.92 +/- 2.52   0.612% *  0.0330% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.08 +/- 3.13   0.776% *  0.0244% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.08 +/- 2.27   0.287% *  0.0455% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  18.05 +/- 3.28   0.634% *  0.0151% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.746, support = 3.63, residual support = 18.5:
          QD2   LEU  104 - HN    LYS+  99   3.33 +/- 1.51  43.746% * 50.1375% (0.80   3.43  18.46) =  52.836%  kept
          QD1   LEU   98 - HN    LYS+  99   3.31 +/- 1.08  40.247% * 48.4434% (0.69   3.86  18.60) =  46.968%  kept
          QD1   ILE   19 - HN    GLN   30   7.06 +/- 1.72   8.309% *  0.9400% (0.04   1.21  13.23) =   0.188%  kept
          QD1   ILE   19 - HN    LYS+  99  14.05 +/- 1.95   0.800% *  0.2364% (0.65   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    LYS+  99  15.27 +/- 2.98   0.487% *  0.0814% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    GLN   30  12.76 +/- 3.44   2.004% *  0.0192% (0.05   0.02   0.68) =   0.001%
          QG2   THR   46 - HN    LYS+  99  16.13 +/- 1.29   0.333% *  0.1128% (0.31   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  12.05 +/- 2.58   1.775% *  0.0165% (0.05   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    GLN   30   9.88 +/- 2.47   1.788% *  0.0053% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  16.42 +/- 2.95   0.512% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.84, support = 4.2, residual support = 17.9:
          QD1   LEU  104 - HN    LYS+  99   4.30 +/- 1.13  37.201% * 90.6471% (0.87   4.28  18.46) =  96.623%  kept
          QD1   LEU   73 - HN    GLN   30   7.36 +/- 4.87  24.387% *  3.2984% (0.06   2.37   2.63) =   2.305%  kept
          QD1   LEU  104 - HN    GLN   30  12.29 +/- 4.00  12.260% *  2.0377% (0.06   1.46   0.68) =   0.716%  kept
          QD1   LEU   63 - HN    GLN   30  13.31 +/- 3.66   4.949% *  1.1386% (0.06   0.82   0.02) =   0.161%  kept
          QD2   LEU   80 - HN    GLN   30  15.62 +/- 7.87   4.910% *  0.6689% (0.07   0.42   0.02) =   0.094%
          QD1   LEU   63 - HN    LYS+  99  12.50 +/- 2.31   2.133% *  0.4237% (0.87   0.02   0.02) =   0.026%
          QD1   LEU   73 - HN    LYS+  99  12.41 +/- 2.13   1.985% *  0.4237% (0.87   0.02   0.02) =   0.024%
          QD2   LEU  115 - HN    LYS+  99  14.91 +/- 2.16   1.558% *  0.4873% (1.00   0.02   0.02) =   0.022%
          QD2   LEU   80 - HN    LYS+  99  18.13 +/- 5.43   0.896% *  0.4841% (0.99   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    LYS+  99  12.64 +/- 2.71   1.970% *  0.1358% (0.28   0.02   0.02) =   0.008%
          QG1   VAL   83 - HN    LYS+  99  17.13 +/- 5.13   1.151% *  0.2008% (0.41   0.02   0.02) =   0.007%
          QG1   VAL   83 - HN    GLN   30  16.92 +/- 6.68   2.491% *  0.0132% (0.03   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  17.76 +/- 2.77   0.921% *  0.0320% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  13.17 +/- 3.29   3.189% *  0.0089% (0.02   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.07 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   4.17 +/- 0.48  83.669% * 97.4948% (0.65   3.95  10.64) =  99.887%  kept
          HB2   GLU- 100 - HN    LEU   98   9.46 +/- 0.64   8.087% *  0.6846% (0.90   0.02   0.02) =   0.068%
          QG    GLN   32 - HN    LEU   98  13.67 +/- 2.34   3.875% *  0.4016% (0.53   0.02   0.02) =   0.019%
          QG    GLU-  79 - HN    LEU   98  17.61 +/- 2.75   1.671% *  0.6376% (0.84   0.02   0.02) =   0.013%
          HB2   GLN  116 - HN    LEU   98  16.93 +/- 1.55   1.466% *  0.6113% (0.80   0.02   0.02) =   0.011%
          HB2   PRO   58 - HN    LEU   98  18.92 +/- 2.24   1.233% *  0.1700% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.61 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 = 0.684, support = 4.25, residual support = 27.2:
          HB    VAL   41 - HN    LEU   98   4.43 +/- 1.70  35.119% * 43.9067% (0.65   5.21  27.01) =  56.494%  kept
          HG12  ILE  103 - HN    LEU   98   5.16 +/- 0.97  26.103% * 35.9341% (0.80   3.44  30.06) =  34.366%  kept
          HB3   ASP- 105 - HN    LEU   98   6.69 +/- 1.01  13.353% *  9.3454% (0.45   1.60   6.78) =   4.572%  kept
          HB    ILE  103 - HN    LEU   98   6.46 +/- 1.21  13.857% *  8.6023% (0.53   1.25  30.06) =   4.367%  kept
          QB    LYS+ 106 - HN    LEU   98   8.16 +/- 0.71   4.421% *  1.0314% (0.20   0.40   0.02) =   0.167%  kept
          HG3   PRO   68 - HN    LEU   98  14.54 +/- 3.03   2.054% *  0.1476% (0.57   0.02   0.02) =   0.011%
          HG    LEU  123 - HN    LEU   98  16.95 +/- 4.31   0.695% *  0.2556% (0.98   0.02   0.02) =   0.007%
          QB    LYS+  66 - HN    LEU   98  14.28 +/- 2.35   1.347% *  0.1169% (0.45   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LEU   98  12.21 +/- 1.20   1.434% *  0.0889% (0.34   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    LEU   98  22.16 +/- 1.93   0.231% *  0.2556% (0.98   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   98  23.09 +/- 3.33   0.321% *  0.1269% (0.49   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   98  16.74 +/- 1.01   0.481% *  0.0581% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU   98  20.14 +/- 3.21   0.357% *  0.0581% (0.22   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   98  22.65 +/- 1.93   0.226% *  0.0725% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.833, support = 4.8, residual support = 76.1:
      O   QB    LEU   98 - HN    LEU   98   2.69 +/- 0.30  75.702% * 97.3607% (0.84  10.0   4.81  76.30) =  99.676%  kept
          HB    VAL   42 - HN    LEU   98   5.96 +/- 1.08  12.073% *  1.9125% (0.18   1.0   1.87   0.33) =   0.312%  kept
          HD3   LYS+ 121 - HN    LEU   98  11.02 +/- 5.30   4.072% *  0.1163% (1.00   1.0   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LEU   98  14.42 +/- 2.47   0.788% *  0.1155% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  12.37 +/- 3.25   2.609% *  0.0260% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  18.46 +/- 4.94   0.480% *  0.1143% (0.98   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   98  14.99 +/- 2.30   0.558% *  0.0754% (0.65   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   98  18.64 +/- 6.36   0.643% *  0.0613% (0.53   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  14.94 +/- 1.34   0.532% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.27 +/- 1.66   0.732% *  0.0398% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.32 +/- 3.81   0.427% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.69 +/- 1.46   1.005% *  0.0260% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.48 +/- 1.67   0.379% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.928, support = 4.07, residual support = 14.3:
          QD2   LEU   40 - HN    LEU   98   4.72 +/- 2.27  30.978% * 69.2313% (0.97   4.74   9.25) =  75.672%  kept
          QG2   ILE  103 - HN    LEU   98   4.54 +/- 1.19  22.956% * 27.4400% (0.87   2.09  30.06) =  22.226%  kept
          QD1   ILE  103 - HN    LEU   98   5.10 +/- 1.18  21.857% *  2.5067% (0.20   0.84  30.06) =   1.933%  kept
          QD1   LEU   67 - HN    LEU   98  10.06 +/- 3.03  11.855% *  0.2865% (0.95   0.02   0.02) =   0.120%  kept
          QD2   LEU   71 - HN    LEU   98   8.17 +/- 2.18   9.762% *  0.0842% (0.28   0.02   0.02) =   0.029%
          HB    VAL   75 - HN    LEU   98  11.51 +/- 2.04   1.980% *  0.2199% (0.73   0.02   0.02) =   0.015%
          HG3   LYS+  74 - HN    LEU   98  15.91 +/- 2.16   0.612% *  0.2314% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.608, support = 3.21, residual support = 44.2:
          QD1   LEU   98 - HN    LEU   98   3.98 +/- 0.85  29.893% * 46.5416% (0.38   4.75  76.30) =  48.213%  kept
          QD2   LEU  104 - HN    LEU   98   4.62 +/- 1.44  29.814% * 40.0851% (0.99   1.55  11.38) =  41.415%  kept
          QG1   VAL   41 - HN    LEU   98   4.73 +/- 1.43  25.362% * 11.2758% (0.15   2.80  27.01) =   9.910%  kept
          QG1   VAL   43 - HN    LEU   98   6.00 +/- 1.46  11.725% *  1.0441% (0.28   0.14   0.02) =   0.424%  kept
          QD1   ILE   19 - HN    LEU   98  12.44 +/- 1.79   0.954% *  0.4823% (0.92   0.02   0.02) =   0.016%
          QG2   VAL   18 - HN    LEU   98  13.29 +/- 3.14   1.343% *  0.2543% (0.49   0.02   0.02) =   0.012%
          QG2   THR   46 - HN    LEU   98  12.87 +/- 1.24   0.909% *  0.3169% (0.61   0.02   0.02) =   0.010%
    Distance limit 4.23 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 = 0.24, support = 4.1, residual support = 41.3:
          QG2   VAL   41 - HN    LEU   98   4.88 +/- 0.88  22.646% * 45.6400% (0.28   4.62  27.01) =  40.198%  kept
          QD2   LEU   98 - HN    LEU   98   3.74 +/- 0.81  37.016% * 25.3794% (0.15   4.63  76.30) =  36.537%  kept
          QD1   LEU  104 - HN    LEU   98   4.88 +/- 1.18  22.439% * 26.2270% (0.31   2.39  11.38) =  22.889%  kept
          QD1   LEU   63 - HN    LEU   98   9.42 +/- 2.31   5.584% *  0.6372% (0.90   0.02   0.02) =   0.138%  kept
          QD1   LEU   73 - HN    LEU   98   9.88 +/- 2.09   3.740% *  0.6372% (0.90   0.02   0.02) =   0.093%
          QD2   LEU   63 - HN    LEU   98   9.64 +/- 2.69   3.601% *  0.5935% (0.84   0.02   0.02) =   0.083%
          QD2   LEU  115 - HN    LEU   98  11.82 +/- 2.10   2.282% *  0.4023% (0.57   0.02   0.02) =   0.036%
          QD2   LEU   80 - HN    LEU   98  15.68 +/- 5.08   1.409% *  0.3738% (0.53   0.02   0.02) =   0.020%
          QD1   LEU   80 - HN    LEU   98  16.24 +/- 5.22   1.283% *  0.1096% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.941, support = 4.77, residual support = 61.6:
      O   HB2   PHE   97 - HN    PHE   97   3.08 +/- 0.55  66.546% * 96.0533% (0.95  10.0   4.81  62.25) =  98.718%  kept
          QE    LYS+ 106 - HN    PHE   97   5.31 +/- 1.12  22.291% *  3.7000% (0.53   1.0   1.39  10.99) =   1.274%  kept
          HB3   TRP   27 - HN    PHE   97  14.22 +/- 2.96   2.108% *  0.0980% (0.97   1.0   0.02   0.02) =   0.003%
          QE    LYS+  99 - HN    PHE   97   9.23 +/- 0.87   3.199% *  0.0616% (0.61   1.0   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HN    PHE   97   9.54 +/- 1.32   3.372% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  12.33 +/- 1.85   1.537% *  0.0346% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  15.27 +/- 2.14   0.947% *  0.0346% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 44.3:
          HG2   MET   96 - HN    PHE   97   4.13 +/- 0.64  96.339% * 99.4688% (0.73   5.59  44.33) =  99.992%  kept
          HB2   PRO   52 - HN    PHE   97  19.84 +/- 2.73   1.229% *  0.4091% (0.84   0.02   0.02) =   0.005%
          HB2   ASP-  62 - HN    PHE   97  15.77 +/- 2.19   2.432% *  0.1221% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.14, residual support = 61.9:
      O   HB3   PHE   97 - HN    PHE   97   2.85 +/- 0.52  87.670% * 93.7724% (0.34  10.0   5.16  62.25) =  99.404%  kept
          HB    VAL  107 - HN    PHE   97   6.65 +/- 0.79   8.978% *  5.4232% (0.28   1.0   1.42   5.54) =   0.589%  kept
          HB2   GLU- 100 - HN    PHE   97  12.83 +/- 0.76   1.276% *  0.1667% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    PHE   97  16.45 +/- 2.44   0.686% *  0.2296% (0.84   1.0   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    PHE   97  17.25 +/- 2.47   0.564% *  0.2743% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  14.80 +/- 1.37   0.826% *  0.1338% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.66, support = 4.69, residual support = 52.0:
          HB2   ASP- 105 - HN    PHE   97   5.06 +/- 0.99  34.290% * 63.3108% (0.98   3.44  59.06) =  52.328%  kept
          HB2   MET   96 - HN    PHE   97   4.18 +/- 0.33  56.063% * 35.2368% (0.31   6.07  44.33) =  47.618%  kept
          HG2   GLU- 100 - HN    PHE   97  12.36 +/- 0.98   2.432% *  0.2874% (0.76   0.02   0.02) =   0.017%
          HG12  ILE  119 - HN    PHE   97  12.08 +/- 2.90   3.478% *  0.1546% (0.41   0.02   1.24) =   0.013%
          HG3   MET   92 - HN    PHE   97  15.22 +/- 1.18   1.295% *  0.3372% (0.90   0.02   0.02) =   0.011%
          HB3   ASP-  76 - HN    PHE   97  17.07 +/- 1.97   0.897% *  0.3141% (0.84   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    PHE   97  18.23 +/- 2.24   0.817% *  0.3011% (0.80   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    PHE   97  18.20 +/- 1.95   0.728% *  0.0580% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.06, residual support = 44.2:
          HB3   MET   96 - HN    PHE   97   4.21 +/- 0.44  86.432% * 91.3842% (0.15   6.07  44.33) =  99.782%  kept
          HB3   GLN   30 - HN    PHE   97  14.23 +/- 2.14   3.516% *  1.4165% (0.73   0.02   0.02) =   0.063%
          HB2   MET   92 - HN    PHE   97  14.67 +/- 0.90   2.346% *  1.6921% (0.87   0.02   0.02) =   0.050%
          HB3   PRO   58 - HN    PHE   97  17.87 +/- 2.14   1.681% *  1.9121% (0.98   0.02   0.02) =   0.041%
          HB    ILE   56 - HN    PHE   97  15.34 +/- 2.12   2.654% *  0.7321% (0.38   0.02   0.02) =   0.025%
          HB3   LYS+  38 - HN    PHE   97  16.55 +/- 1.66   1.646% *  1.0263% (0.53   0.02   0.02) =   0.021%
          HB3   GLU-  14 - HN    PHE   97  22.80 +/- 3.63   1.297% *  0.7321% (0.38   0.02   0.02) =   0.012%
          HG3   MET   11 - HN    PHE   97  28.75 +/- 4.43   0.430% *  1.1044% (0.57   0.02   0.02) =   0.006%
    Distance limit 4.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 1.89, residual support = 2.32:
          QG2   ILE  103 - HN    PHE   97   3.48 +/- 0.70  66.788% * 56.4639% (0.61   2.05   2.45) =  84.718%  kept
          QD2   LEU   40 - HN    PHE   97   7.56 +/- 2.10  17.663% * 36.7420% (0.76   1.06   1.60) =  14.579%  kept
          QD1   ILE  119 - HN    PHE   97  11.63 +/- 2.05   4.943% *  4.8307% (0.25   0.43   1.24) =   0.536%  kept
          QD1   LEU   67 - HN    PHE   97  11.33 +/- 2.80   6.844% *  0.6604% (0.73   0.02   0.02) =   0.102%  kept
          HB    VAL   75 - HN    PHE   97  11.20 +/- 1.90   2.924% *  0.8603% (0.95   0.02   0.02) =   0.057%
          HG3   LYS+  74 - HN    PHE   97  16.22 +/- 1.77   0.837% *  0.4427% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.97, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.61 +/- 0.22  92.955% * 83.2736% (0.24   3.98  11.94) =  99.683%  kept
          HG3   GLN  116 - HN    MET   96  14.92 +/- 1.22   1.439% * 13.8022% (0.46   0.34   0.02) =   0.256%  kept
          HB3   TRP   87 - HN    MET   96  13.57 +/- 3.16   3.271% *  0.9491% (0.54   0.02   0.02) =   0.040%
          HG2   GLU-  25 - HN    MET   96  20.47 +/- 2.97   0.652% *  1.6433% (0.93   0.02   0.02) =   0.014%
          HG2   GLN  116 - HN    MET   96  14.16 +/- 1.34   1.683% *  0.3318% (0.19   0.02   0.02) =   0.007%
    Distance limit 4.20 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   2.64 +/- 0.36  88.835% * 99.6054% (0.94  10.0   4.03 115.38) =  99.993%  kept
          HB2   ASP- 105 - HN    MET   96   8.18 +/- 1.00   4.387% *  0.0448% (0.42   1.0   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    MET   96  10.23 +/- 2.07   2.526% *  0.0725% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLN   17 - HN    MET   96  16.81 +/- 4.76   1.232% *  0.0646% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    MET   96  13.15 +/- 2.02   1.042% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.22 +/- 0.86   0.526% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.42 +/- 1.00   1.161% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  20.06 +/- 2.64   0.291% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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   2.76 +/- 0.34  93.428% * 99.5022% (0.57  10.0   3.97 115.38) =  99.993%  kept
          HB2   LEU   40 - HN    MET   96  10.98 +/- 1.47   2.472% *  0.1552% (0.89   1.0   0.02   0.02) =   0.004%
          HB    VAL   18 - HN    MET   96  15.50 +/- 6.18   1.327% *  0.0863% (0.50   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  11.86 +/- 2.55   1.868% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    MET   96  17.52 +/- 2.64   0.542% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  21.91 +/- 3.84   0.244% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  27.72 +/- 4.36   0.119% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.207, support = 1.43, residual support = 15.0:
          HB    VAL   43 - HN    MET   96   4.22 +/- 0.61  63.838% * 60.5346% (0.19   1.50  15.78) =  94.962%  kept
          HG2   PRO   93 - HN    MET   96  10.52 +/- 0.75   5.167% * 22.6266% (0.46   0.23   0.02) =   2.873%  kept
          HB2   LEU   71 - HN    MET   96  10.87 +/- 3.34  15.712% *  3.5378% (0.82   0.02   0.02) =   1.366%  kept
          QB    LYS+  65 - HN    MET   96  13.08 +/- 1.76   2.826% *  3.4066% (0.79   0.02   0.02) =   0.237%  kept
          QB    LYS+ 102 - HN    MET   96  11.94 +/- 0.71   3.159% *  2.9616% (0.69   0.02   0.02) =   0.230%  kept
          HB3   GLN   17 - HN    MET   96  18.48 +/- 4.81   1.314% *  3.7649% (0.87   0.02   0.02) =   0.122%  kept
          HB2   LYS+  99 - HN    MET   96  11.11 +/- 0.38   3.993% *  1.1340% (0.26   0.02   0.02) =   0.111%  kept
          QB    LYS+  66 - HN    MET   96  13.36 +/- 1.97   2.838% *  1.0170% (0.24   0.02   0.02) =   0.071%
          QD    LYS+  81 - HN    MET   96  17.20 +/- 2.53   1.154% *  1.0170% (0.24   0.02   0.02) =   0.029%
    Distance limit 4.08 A violated in 0 structures by 0.24 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.85, support = 1.65, residual support = 3.24:
          QG2   THR   94 - HN    MET   96   4.14 +/- 0.34  74.193% * 74.6236% (0.85   1.73   3.44) =  93.963%  kept
          HB3   LEU   71 - HN    MET   96  11.31 +/- 3.21  15.111% * 23.1163% (0.89   0.51   0.02) =   5.928%  kept
          HD2   LYS+ 112 - HN    MET   96  13.83 +/- 3.24   3.566% *  0.9434% (0.93   0.02   0.02) =   0.057%
          HB3   LYS+ 112 - HN    MET   96  13.88 +/- 1.62   2.230% *  0.8349% (0.82   0.02   0.02) =   0.032%
          HG3   LYS+ 111 - HN    MET   96  13.91 +/- 1.73   2.202% *  0.2676% (0.26   0.02   0.02) =   0.010%
          HG12  ILE   89 - HN    MET   96  13.93 +/- 2.70   2.698% *  0.2143% (0.21   0.02   0.02) =   0.010%
    Distance limit 4.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.758, support = 2.92, residual support = 15.6:
          QG1   VAL   43 - HN    MET   96   4.01 +/- 0.97  59.621% * 93.0622% (0.76   2.96  15.78) =  98.719%  kept
          QG2   THR   46 - HN    MET   96   8.25 +/- 1.14  12.461% *  4.4498% (0.94   0.11   0.02) =   0.987%  kept
          QD2   LEU  104 - HN    MET   96   9.01 +/- 1.34  10.256% *  0.5708% (0.69   0.02   0.02) =   0.104%  kept
          QG1   VAL   41 - HN    MET   96   8.38 +/- 1.07   8.501% *  0.4768% (0.57   0.02   0.02) =   0.072%
          QG2   VAL   18 - HN    MET   96  13.01 +/- 4.27   5.123% *  0.7586% (0.91   0.02   0.02) =   0.069%
          QD1   ILE   19 - HN    MET   96  13.08 +/- 2.70   4.038% *  0.6818% (0.82   0.02   0.02) =   0.049%
    Distance limit 4.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.765, support = 0.698, residual support = 0.237:
          QD1   LEU   63 - HN    MET   96   7.79 +/- 3.18  17.251% * 33.9358% (0.85   0.78   0.31) =  42.635%  kept
          QD2   LEU  115 - HN    MET   96   8.72 +/- 1.78  11.616% * 25.7906% (0.54   0.94   0.20) =  21.818%  kept
          QD2   LEU   63 - HN    MET   96   8.63 +/- 3.13  12.459% * 19.2923% (0.79   0.48   0.31) =  17.505%  kept
          QD1   LEU   73 - HN    MET   96   8.79 +/- 2.04  12.042% * 19.6015% (0.85   0.45   0.02) =  17.191%  kept
          QG2   VAL   41 - HN    MET   96   6.87 +/- 1.33  15.484% *  0.2699% (0.26   0.02   0.02) =   0.304%  kept
          QD2   LEU   80 - HN    MET   96  12.58 +/- 4.23   5.081% *  0.5107% (0.50   0.02   0.02) =   0.189%  kept
          QD2   LEU   98 - HN    MET   96   7.18 +/- 1.52  13.779% *  0.1498% (0.15   0.02   0.20) =   0.150%  kept
          QD1   LEU  104 - HN    MET   96   9.28 +/- 1.35   6.652% *  0.2996% (0.29   0.02   0.02) =   0.145%  kept
          QD1   LEU   80 - HN    MET   96  12.90 +/- 4.46   5.637% *  0.1498% (0.15   0.02   0.02) =   0.061%
    Distance limit 4.69 A violated in 0 structures by 0.29 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.578, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96  10.23 +/- 2.45  34.797% * 55.1266% (0.72   0.02   0.02) =  55.861%  kept
          QG2   VAL   83 - HN    MET   96  10.46 +/- 3.74  34.684% * 35.1112% (0.46   0.02   0.02) =  35.464%  kept
          QD2   LEU   31 - HN    MET   96  10.86 +/- 3.02  30.519% *  9.7622% (0.13   0.02   0.02) =   8.676%  kept
    Distance limit 4.56 A violated in 17 structures by 3.35 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.58 +/- 0.20 100.000% *100.0000% (0.87  10.0   3.86  73.48) = 100.000%  kept
    Distance limit 4.11 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   3.60 +/- 0.07  96.975% * 99.8580% (0.98  10.0   4.19  73.48) =  99.997%  kept
          HG2   GLN  116 - HN    PHE   95  12.39 +/- 0.96   2.557% *  0.0964% (0.95   1.0   0.02   0.02) =   0.003%
          HG2   GLU-  25 - HN    PHE   95  23.07 +/- 3.33   0.468% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.986, support = 3.09, residual support = 41.2:
          HB    VAL  107 - HN    PHE   95   3.56 +/- 0.59  75.166% * 88.1350% (0.99   3.14  41.84) =  98.266%  kept
          HB3   PHE   45 - HN    PHE   95   7.07 +/- 1.08  14.338% *  4.2451% (0.69   0.22   1.89) =   0.903%  kept
          QE    LYS+ 112 - HN    PHE   95   9.81 +/- 2.53   8.031% *  6.9062% (0.69   0.36   4.03) =   0.823%  kept
          QG    GLU-  79 - HN    PHE   95  15.27 +/- 2.13   1.502% *  0.2126% (0.38   0.02   0.02) =   0.005%
          QG    GLN   32 - HN    PHE   95  20.42 +/- 2.25   0.562% *  0.3891% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  22.56 +/- 2.58   0.402% *  0.1121% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.812, support = 4.38, residual support = 17.1:
          QG2   THR   94 - HN    PHE   95   2.38 +/- 0.44  69.187% * 80.1926% (0.87   4.37  14.87) =  91.658%  kept
          QG2   VAL  107 - HN    PHE   95   3.88 +/- 0.76  26.818% * 18.7921% (0.20   4.49  41.84) =   8.325%  kept
          HD2   LYS+ 112 - HN    PHE   95  11.00 +/- 2.69   1.516% *  0.2058% (0.49   0.02   4.03) =   0.005%
          HB3   LYS+ 112 - HN    PHE   95  11.06 +/- 1.23   0.818% *  0.3792% (0.90   0.02   4.03) =   0.005%
          HG13  ILE  103 - HN    PHE   95  10.55 +/- 1.56   1.100% *  0.2565% (0.61   0.02   0.02) =   0.005%
          HB3   LEU   71 - HN    PHE   95  14.89 +/- 3.17   0.562% *  0.1738% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 24.9:
      O   HB    THR   94 - HN    THR   94   2.69 +/- 0.21  90.889% * 98.9931% (0.65  10.0   3.08  24.92) =  99.991%  kept
          QB    SER   48 - HN    THR   94  11.54 +/- 1.49   1.480% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    THR   94  15.00 +/- 2.63   1.130% *  0.1413% (0.92   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    THR   94  13.56 +/- 1.54   0.885% *  0.1477% (0.97   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    THR   94  11.97 +/- 2.16   1.612% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    THR   94  23.23 +/- 6.89   0.401% *  0.1477% (0.97   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  14.47 +/- 1.87   0.736% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  17.88 +/- 1.64   0.361% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    THR   94  12.71 +/- 1.09   1.011% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.90 +/- 2.08   0.374% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  13.38 +/- 1.67   0.890% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.50 +/- 3.40   0.230% *  0.0303% (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 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 28.2:
          HB2   PHE   45 - HN    THR   94   2.67 +/- 0.90  91.270% * 96.8628% (0.95   2.96  28.22) =  99.779%  kept
          QE    LYS+ 111 - HN    THR   94  11.21 +/- 1.75   6.867% *  2.7451% (1.00   0.08   0.02) =   0.213%  kept
          HB2   CYS   21 - HN    THR   94  16.06 +/- 4.21   1.862% *  0.3921% (0.57   0.02   0.02) =   0.008%
    Distance limit 4.18 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 = 0.545, support = 1.41, residual support = 25.1:
          HB3   PHE   45 - HN    THR   94   3.81 +/- 0.84  58.940% * 58.4019% (0.57   1.50  28.22) =  88.735%  kept
          QE    LYS+ 112 - HN    THR   94  10.07 +/- 3.21  17.078% * 10.7358% (0.57   0.28   0.02) =   4.727%  kept
          HB    VAL  107 - HN    THR   94   7.48 +/- 0.65  10.903% * 15.5684% (0.20   1.14   0.02) =   4.376%  kept
          HG3   MET   96 - HN    THR   94   9.04 +/- 0.79   6.663% * 11.4366% (0.28   0.60   3.44) =   1.964%  kept
          HB3   ASP-  86 - HN    THR   94  13.51 +/- 2.60   4.001% *  1.3632% (0.99   0.02   0.02) =   0.141%  kept
          HB3   ASP-  62 - HN    THR   94  14.08 +/- 2.48   1.739% *  0.9448% (0.69   0.02   0.02) =   0.042%
          HG2   GLU-  29 - HN    THR   94  23.25 +/- 3.48   0.403% *  1.3632% (0.99   0.02   0.02) =   0.014%
          HG2   GLU-  36 - HN    THR   94  26.13 +/- 2.32   0.274% *  0.1861% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 15.5:
      O   HB2   PRO   93 - HN    THR   94   3.87 +/- 0.18  73.437% * 99.5171% (0.98  10.0   4.38  15.52) =  99.979%  kept
          HB    VAL  108 - HN    THR   94   7.93 +/- 1.82  12.689% *  0.0697% (0.69   1.0   0.02   0.02) =   0.012%
          HB2   ARG+  54 - HN    THR   94  13.75 +/- 2.09   2.076% *  0.0776% (0.76   1.0   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    THR   94  13.28 +/- 3.39   3.738% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    THR   94  12.58 +/- 2.80   3.369% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   94  14.12 +/- 1.92   1.758% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.90 +/- 2.67   1.018% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    THR   94  25.22 +/- 4.39   0.376% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.88 +/- 2.84   0.867% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  21.94 +/- 0.89   0.422% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  29.76 +/- 4.90   0.249% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.89, support = 2.7, residual support = 15.3:
      O   HB3   PRO   93 - HN    THR   94   3.70 +/- 0.24  53.170% * 94.6328% (0.90  10.0   2.72  15.52) =  98.295%  kept
          HB3   ASP-  44 - HN    THR   94   5.70 +/- 0.94  19.752% *  4.2981% (0.49   1.0   1.67   0.02) =   1.659%  kept
          HB2   LYS+ 112 - HN    THR   94  11.81 +/- 1.91   2.818% *  0.3196% (0.76   1.0   0.08   0.02) =   0.018%
          QB    ALA   84 - HN    THR   94   9.45 +/- 1.28   3.835% *  0.0915% (0.87   1.0   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HN    THR   94  10.60 +/- 1.20   2.510% *  0.0915% (0.87   1.0   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    THR   94  11.68 +/- 2.81   3.355% *  0.0683% (0.65   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    THR   94  10.89 +/- 1.56   3.398% *  0.0597% (0.57   1.0   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    THR   94  11.57 +/- 3.16   3.617% *  0.0396% (0.38   1.0   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    THR   94  12.49 +/- 3.70   3.132% *  0.0293% (0.28   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    THR   94  14.39 +/- 1.91   1.133% *  0.0806% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    THR   94  15.52 +/- 3.19   1.281% *  0.0597% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  19.54 +/- 1.46   0.378% *  0.0725% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    THR   94  20.31 +/- 2.10   0.372% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.32 +/- 2.88   0.344% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  19.09 +/- 3.82   0.595% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  23.72 +/- 4.41   0.308% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.367, support = 3.31, residual support = 23.3:
          QG2   THR   94 - HN    THR   94   3.66 +/- 0.45  70.546% * 58.0752% (0.34   3.51  24.92) =  93.365%  kept
          HG12  ILE   89 - HN    THR   94   9.79 +/- 1.77   5.070% * 27.7806% (0.76   0.75   1.05) =   3.210%  kept
          HD2   LYS+ 112 - HN    THR   94  11.32 +/- 3.48  15.140% *  8.8231% (0.73   0.25   0.02) =   3.044%  kept
          HG3   LYS+ 111 - HN    THR   94  11.43 +/- 1.90   3.687% *  3.2094% (0.84   0.08   0.02) =   0.270%  kept
          HB3   LYS+ 112 - HN    THR   94  11.59 +/- 2.03   3.111% *  1.1859% (0.31   0.08   0.02) =   0.084%
          HB3   LEU   71 - HN    THR   94  15.71 +/- 2.80   1.344% *  0.7762% (0.80   0.02   0.02) =   0.024%
          HG    LEU   71 - HN    THR   94  16.41 +/- 3.04   1.101% *  0.1496% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.807, support = 0.02, residual support = 0.95:
          QG2   ILE   89 - HN    THR   94   6.78 +/- 1.90  64.519% * 76.3346% (0.90   0.02   1.05) =  85.434%  kept
          QG1   VAL   83 - HN    THR   94  10.07 +/- 3.16  35.481% * 23.6654% (0.28   0.02   0.34) =  14.566%  kept
    Distance limit 4.65 A violated in 6 structures by 1.58 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.402, support = 2.87, residual support = 40.8:
          HG3   MET   92 - HN    MET   92   3.93 +/- 0.63  63.270% * 32.0175% (0.14   4.04  62.47) =  65.125%  kept
          QG    GLN   90 - HN    MET   92   6.79 +/- 1.01  18.269% * 41.0804% (0.87   0.81   0.19) =  24.128%  kept
          HB2   ASP-  44 - HN    MET   92  10.91 +/- 2.47  15.184% * 21.8245% (0.98   0.38   0.48) =  10.653%  kept
          HB3   PHE   72 - HN    MET   92  17.37 +/- 2.90   0.880% *  1.0804% (0.92   0.02   0.02) =   0.031%
          QG    GLU-  15 - HN    MET   92  25.33 +/- 6.02   0.652% *  1.1704% (1.00   0.02   0.02) =   0.025%
          HG12  ILE  119 - HN    MET   92  17.31 +/- 1.44   0.861% *  0.6158% (0.53   0.02   0.02) =   0.017%
          QG    GLU-  14 - HN    MET   92  26.35 +/- 5.02   0.338% *  1.1295% (0.97   0.02   0.02) =   0.012%
          QB    MET   11 - HN    MET   92  29.24 +/- 5.55   0.262% *  0.8499% (0.73   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    MET   92  25.63 +/- 4.93   0.283% *  0.2316% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.29 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 = 62.3:
      O   HB2   MET   92 - HN    MET   92   2.58 +/- 0.50  84.387% * 97.5840% (1.00  10.0   3.94  62.47) =  99.781%  kept
          HB3   GLN   90 - HN    MET   92   6.62 +/- 0.66   9.005% *  1.9808% (0.18   1.0   2.31   0.19) =   0.216%  kept
          HB    ILE   56 - HN    MET   92  12.26 +/- 2.44   1.311% *  0.0633% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    MET   92  11.54 +/- 2.92   2.738% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   92  22.01 +/- 4.48   0.467% *  0.0925% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  18.06 +/- 3.32   0.403% *  0.0944% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.05 +/- 1.06   1.092% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  28.16 +/- 2.26   0.106% *  0.0783% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  33.57 +/- 6.41   0.138% *  0.0302% (0.31   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.20 +/- 3.24   0.217% *  0.0132% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.07 +/- 5.42   0.135% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.562, support = 4.28, residual support = 61.9:
      O   HB3   MET   92 - HN    MET   92   3.47 +/- 0.30  66.295% * 94.2391% (0.57  10.0   4.29  62.47) =  99.000%  kept
          HG3   PRO   93 - HN    MET   92   6.50 +/- 0.55  12.439% *  4.9490% (0.20   1.0   3.00   1.89) =   0.976%  kept
          HB    ILE   89 - HN    MET   92   6.97 +/- 1.20  12.532% *  0.0415% (0.25   1.0   0.02   0.02) =   0.008%
          QG1   ILE   56 - HN    MET   92  11.05 +/- 2.02   2.718% *  0.1272% (0.76   1.0   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HN    MET   92  12.96 +/- 1.81   1.680% *  0.1493% (0.90   1.0   0.02   0.02) =   0.004%
          HB2   LEU   73 - HN    MET   92  15.62 +/- 3.61   1.661% *  0.1209% (0.73   1.0   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    MET   92  13.89 +/- 2.92   1.931% *  0.0746% (0.45   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  21.72 +/- 1.35   0.301% *  0.1537% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.03 +/- 1.20   0.247% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.71 +/- 1.33   0.196% *  0.0371% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 3.65, residual support = 14.6:
          QB    ALA   91 - HN    MET   92   2.98 +/- 0.64  89.011% * 96.7920% (1.00   3.66  14.60) =  99.956%  kept
          QG2   ILE   56 - HN    MET   92   9.52 +/- 2.20   5.731% *  0.3646% (0.69   0.02   0.02) =   0.024%
          HG2   LYS+  74 - HN    MET   92  14.51 +/- 2.83   1.741% *  0.3433% (0.65   0.02   0.02) =   0.007%
          HG13  ILE   19 - HN    MET   92  22.61 +/- 5.69   0.626% *  0.4604% (0.87   0.02   0.02) =   0.003%
          QG2   THR   39 - HN    MET   92  20.22 +/- 1.91   0.485% *  0.5295% (1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    MET   92  19.89 +/- 2.96   0.672% *  0.2583% (0.49   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    MET   92  21.73 +/- 2.80   0.357% *  0.3219% (0.61   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  19.26 +/- 4.41   1.008% *  0.1050% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  24.49 +/- 1.09   0.222% *  0.3646% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  29.39 +/- 2.49   0.148% *  0.4604% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 2.48, residual support = 7.73:
          HA    ILE   89 - HN    ALA   91   3.99 +/- 0.66  73.185% * 96.1933% (0.61   2.48   7.73) =  99.951%  kept
          HB    THR  118 - HN    ALA   91  19.30 +/- 1.48   0.776% *  1.2077% (0.95   0.02   0.02) =   0.013%
          HB3   SER   82 - HN    ALA   91  13.30 +/- 1.66   3.167% *  0.2236% (0.18   0.02   0.02) =   0.010%
          QB    SER   13 - HN    TRP   27  13.58 +/- 4.35   5.375% *  0.0649% (0.05   0.02   0.02) =   0.005%
          HB    THR  118 - HN    TRP   27  19.80 +/- 4.83   1.994% *  0.1492% (0.12   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    TRP   27  19.92 +/- 9.83  10.146% *  0.0276% (0.02   0.02   0.02) =   0.004%
          HB    THR   39 - HN    ALA   91  26.78 +/- 2.92   0.325% *  0.5724% (0.45   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    ALA   91  29.33 +/- 2.61   0.231% *  0.7744% (0.61   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    TRP   27  15.90 +/- 1.75   1.734% *  0.0957% (0.07   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  28.47 +/- 4.21   0.312% *  0.5249% (0.41   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  15.66 +/- 2.19   1.978% *  0.0707% (0.06   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    TRP   27  23.33 +/- 5.31   0.776% *  0.0957% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.21 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.71, support = 4.9, residual support = 31.2:
          HB2   GLN   90 - HN    ALA   91   3.73 +/- 0.76  47.153% * 91.7328% (0.73   4.96  31.98) =  97.534%  kept
          HB2   GLU-  25 - HN    TRP   27   5.10 +/- 0.22  21.296% *  2.5251% (0.02   4.05   0.63) =   1.213%  kept
          HG3   GLU-  29 - HN    TRP   27   6.03 +/- 0.60  14.647% *  3.1794% (0.11   1.13   0.02) =   1.050%  kept
          HB3   GLU-  29 - HN    TRP   27   6.73 +/- 0.54   9.474% *  0.8926% (0.07   0.54   0.02) =   0.191%  kept
          HB3   GLU-  79 - HN    ALA   91  12.57 +/- 3.10   2.565% *  0.1009% (0.20   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HN    ALA   91  27.94 +/- 5.74   0.156% *  0.4572% (0.90   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ALA   91  30.92 +/- 2.57   0.099% *  0.4823% (0.95   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   91  27.97 +/- 5.38   0.149% *  0.2682% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  17.43 +/- 1.80   0.621% *  0.0596% (0.12   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  16.19 +/- 7.33   2.236% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  26.01 +/- 6.18   0.201% *  0.1009% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  27.96 +/- 2.88   0.133% *  0.1271% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.95 +/- 1.11   1.008% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  24.57 +/- 6.69   0.263% *  0.0457% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.971, support = 4.89, residual support = 31.5:
          HB3   GLN   90 - HN    ALA   91   3.29 +/- 0.76  47.818% * 89.4159% (0.99   4.95  31.98) =  97.573%  kept
          HB2   MET   92 - HN    ALA   91   5.43 +/- 1.01  14.590% *  7.0747% (0.15   2.52  14.60) =   2.355%  kept
          QB    LYS+  81 - HN    ALA   91  10.21 +/- 1.74   2.529% *  0.3515% (0.97   0.02   0.02) =   0.020%
          HG2   ARG+  54 - HN    ALA   91  15.68 +/- 3.94   1.258% *  0.3515% (0.97   0.02   0.02) =   0.010%
          QB    LYS+ 106 - HN    ALA   91  14.37 +/- 1.55   0.977% *  0.3445% (0.95   0.02   0.02) =   0.008%
          HB3   PRO   52 - HN    ALA   91  12.39 +/- 3.92   2.837% *  0.0908% (0.25   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    TRP   27   5.29 +/- 0.94  16.513% *  0.0112% (0.03   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ALA   91  14.58 +/- 2.62   0.843% *  0.2062% (0.57   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    ALA   91  25.36 +/- 4.06   0.385% *  0.3362% (0.92   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   91  20.60 +/- 2.80   0.358% *  0.3445% (0.95   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    TRP   27   9.80 +/- 1.24   2.302% *  0.0450% (0.12   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   91  20.71 +/- 1.77   0.286% *  0.3570% (0.98   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    TRP   27  18.63 +/- 4.90   2.269% *  0.0441% (0.12   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ALA   91  25.81 +/- 3.52   0.167% *  0.3642% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    TRP   27  18.43 +/- 7.83   1.153% *  0.0434% (0.12   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    TRP   27  19.54 +/- 4.44   0.756% *  0.0415% (0.11   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  23.61 +/- 4.55   0.287% *  0.0908% (0.25   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  18.64 +/- 4.18   0.554% *  0.0426% (0.12   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    TRP   27  17.92 +/- 3.17   0.487% *  0.0426% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  22.05 +/- 6.83   1.720% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  24.61 +/- 6.41   0.388% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.98 +/- 2.63   0.088% *  0.1497% (0.41   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  26.75 +/- 1.97   0.124% *  0.0908% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  17.26 +/- 2.16   0.454% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  25.76 +/- 3.80   0.161% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.60 +/- 3.00   0.251% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.48 +/- 4.62   0.289% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  26.04 +/- 3.92   0.156% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 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   2.36 +/- 0.18  77.584% * 99.2924% (0.92  10.0   3.61  14.42) =  99.996%  kept
          QG2   ILE   56 - HN    ALA   91  11.44 +/- 2.43   1.059% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    TRP   27   4.98 +/- 0.87  11.541% *  0.0055% (0.05   1.0   0.02   1.19) =   0.001%
          HG13  ILE   19 - HN    TRP   27   9.11 +/- 1.86   2.212% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  19.95 +/- 4.73   0.379% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.09 +/- 0.85   1.585% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  15.86 +/- 2.16   0.389% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  21.41 +/- 2.89   0.157% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.75 +/- 2.27   0.119% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  18.70 +/- 5.18   0.937% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.17 +/- 2.33   0.796% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  24.46 +/- 6.02   0.144% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  17.08 +/- 4.52   1.271% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  31.18 +/- 2.99   0.040% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  13.36 +/- 3.72   0.698% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.72 +/- 3.41   0.093% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  17.85 +/- 1.99   0.203% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.45 +/- 2.83   0.212% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  26.75 +/- 1.98   0.058% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.27 +/- 2.61   0.523% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.4, support = 0.02, residual support = 0.02:
          HB3   TRP   87 - HE22  GLN   90  10.22 +/- 1.54  42.103% * 18.6359% (0.49   0.02   0.02) =  61.887%  kept
          HG2   GLU-  36 - HE22  GLN   32  11.17 +/- 2.04  35.304% *  7.7282% (0.20   0.02   0.02) =  21.519%  kept
          HG3   MET   96 - HE22  GLN   90  20.87 +/- 2.90   4.980% * 11.8170% (0.31   0.02   0.02) =   4.642%  kept
          HG3   GLN  116 - HE22  GLN   90  27.05 +/- 2.31   2.393% * 21.6759% (0.57   0.02   0.02) =   4.091%  kept
          HG3   MET   96 - HE22  GLN   32  20.32 +/- 3.77   8.875% *  4.5337% (0.12   0.02   0.02) =   3.174%  kept
          HG3   GLN  116 - HE22  GLN   32  29.28 +/- 4.19   2.903% *  8.3162% (0.22   0.02   0.02) =   1.904%  kept
          HB3   TRP   87 - HE22  GLN   32  29.02 +/- 6.47   2.621% *  7.1499% (0.19   0.02   0.02) =   1.478%  kept
          HG2   GLU-  36 - HE22  GLN   90  37.33 +/- 4.65   0.822% * 20.1433% (0.53   0.02   0.02) =   1.305%  kept
    Distance limit 5.50 A violated in 20 structures by 3.41 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.33, residual support = 158.6:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  98.441% * 99.2019% (0.18  10.0   5.33 158.66) =  99.994%  kept
          HA    ALA   20 - HN    LYS+ 102  20.51 +/- 3.69   0.794% *  0.5652% (1.00   1.0   0.02   0.02) =   0.005%
          HA    LEU   71 - HN    LYS+ 102  15.44 +/- 2.06   0.764% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.40 +/- 0.16  91.120% * 99.3899% (0.61  10.0   3.13  12.52) =  99.993%  kept
          HA    ALA   34 - HN    LYS+ 102  12.18 +/- 1.95   2.516% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    LYS+ 102  19.29 +/- 4.54   0.974% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LYS+ 102  15.51 +/- 4.42   2.383% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  20.66 +/- 2.32   0.485% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  19.97 +/- 3.22   0.765% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  25.63 +/- 2.78   0.300% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.66 +/- 1.63   0.598% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.13 +/- 4.90   0.859% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   2.78 +/- 0.55  98.675% * 99.6785% (0.28  10.0   3.13  12.52) =  99.998%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.65 +/- 4.36   1.089% *  0.1607% (0.45   1.0   0.02   0.02) =   0.002%
          HD2   PRO   93 - HN    LYS+ 102  23.42 +/- 1.09   0.236% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  19.11 +/- 3.81  11.927% * 13.6482% (0.95   0.02   0.02) =  15.862%  kept
          QB    GLU- 114 - HN    LYS+ 102  18.06 +/- 1.69  13.334% * 12.0512% (0.84   0.02   0.02) =  15.659%  kept
          HB2   GLN   17 - HN    LYS+ 102  21.83 +/- 4.56   9.346% * 13.6482% (0.95   0.02   0.02) =  12.429%  kept
          HG2   PRO   68 - HN    LYS+ 102  19.80 +/- 3.83  11.900% *  9.9106% (0.69   0.02   0.02) =  11.492%  kept
          HB    ILE   19 - HN    LYS+ 102  18.90 +/- 3.19  10.317% * 11.0262% (0.76   0.02   0.02) =  11.085%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.18 +/- 4.87   7.483% * 14.4279% (1.00   0.02   0.02) =  10.521%  kept
          HB3   PRO   68 - HN    LYS+ 102  20.46 +/- 3.40   9.959% *  8.7509% (0.61   0.02   0.02) =   8.493%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.25 +/- 1.80   5.973% * 12.9393% (0.90   0.02   0.02) =   7.531%  kept
          HG3   GLN   30 - HN    LYS+ 102  15.65 +/- 3.69  19.762% *  3.5976% (0.25   0.02   0.02) =   6.928%  kept
    Distance limit 4.57 A violated in 20 structures by 7.43 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 4.8, residual support = 157.7:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.65 +/- 0.22  86.420% * 92.3899% (0.98  10.0   4.81 158.66) =  99.326%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.31 +/- 0.88   7.537% *  7.1362% (0.45   1.0   3.38  23.51) =   0.669%  kept
          HB    VAL   41 - HN    LYS+ 102   8.95 +/- 1.84   3.882% *  0.0572% (0.61   1.0   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LYS+ 102  14.14 +/- 2.73   0.747% *  0.0845% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LYS+ 102  19.88 +/- 2.83   0.276% *  0.0755% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  21.78 +/- 4.54   0.475% *  0.0354% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  21.40 +/- 1.97   0.193% *  0.0870% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.01 +/- 1.28   0.143% *  0.0924% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  22.05 +/- 5.06   0.223% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  28.31 +/- 3.08   0.104% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 4.16, residual support = 129.1:
          HG2   LYS+ 102 - HN    LYS+ 102   3.52 +/- 0.46  64.757% * 60.8458% (0.28   4.57 158.66) =  81.129%  kept
          QB    LEU   98 - HN    LYS+ 102   5.14 +/- 0.77  28.444% * 32.0603% (0.28   2.41   2.15) =  18.776%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  14.75 +/- 6.14   1.954% *  0.5422% (0.57   0.02   0.02) =   0.022%
          HG12  ILE   19 - HN    LYS+ 102  18.85 +/- 3.17   0.845% *  0.9555% (1.00   0.02   0.02) =   0.017%
          HG    LEU   80 - HN    LYS+ 102  23.64 +/- 7.27   0.525% *  0.9492% (0.99   0.02   0.02) =   0.010%
          HB3   LEU   67 - HN    LYS+ 102  18.72 +/- 3.63   0.646% *  0.7319% (0.76   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    LYS+ 102  19.57 +/- 1.64   0.457% *  0.9555% (1.00   0.02   0.02) =   0.009%
          QB    ALA   61 - HN    LYS+ 102  20.16 +/- 1.61   0.387% *  0.8588% (0.90   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    LYS+ 102  23.58 +/- 5.87   0.424% *  0.6954% (0.73   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    LYS+ 102  17.40 +/- 2.65   0.758% *  0.3594% (0.38   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    LYS+ 102  20.92 +/- 3.23   0.442% *  0.5422% (0.57   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    LYS+ 102  20.86 +/- 2.16   0.360% *  0.5038% (0.53   0.02   0.02) =   0.004%
    Distance limit 3.82 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 = 0.481, support = 1.82, residual support = 1.42:
          QD1   LEU   98 - HN    LYS+ 102   4.05 +/- 1.35  45.850% * 51.1631% (0.18   2.76   2.15) =  60.066%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.57 +/- 1.27  37.174% * 41.4420% (0.95   0.41   0.33) =  39.447%  kept
          QG1   VAL   41 - HN    LYS+ 102   7.29 +/- 1.82   9.742% *  0.7214% (0.34   0.02   0.02) =   0.180%  kept
          QD1   ILE   19 - HN    LYS+ 102  15.67 +/- 2.70   2.945% *  2.1101% (1.00   0.02   0.02) =   0.159%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.74 +/- 1.58   2.455% *  1.1127% (0.53   0.02   0.02) =   0.070%
          QG2   VAL   18 - HN    LYS+ 102  17.06 +/- 3.46   1.380% *  1.6162% (0.76   0.02   0.02) =   0.057%
          QG2   THR   46 - HN    LYS+ 102  18.28 +/- 1.50   0.455% *  1.8345% (0.87   0.02   0.02) =   0.021%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.44, residual support = 40.9:
      O   HA    ILE   89 - HN    GLN   90   2.77 +/- 0.48  97.163% * 99.5753% (0.61  10.0   6.44  40.90) =  99.998%  kept
          HB3   SER   82 - HN    GLN   90  12.05 +/- 1.31   2.076% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLN   90  20.49 +/- 1.93   0.345% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLN   90  27.33 +/- 3.13   0.151% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  29.96 +/- 2.70   0.107% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  29.04 +/- 4.66   0.158% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.11 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.891, support = 5.92, residual support = 93.0:
          QG    GLN   90 - HN    GLN   90   2.82 +/- 0.76  74.153% * 92.1379% (0.90   6.03  94.81) =  98.103%  kept
          HG3   MET   92 - HN    GLN   90   7.49 +/- 2.30  21.398% *  6.1240% (0.61   0.59   0.19) =   1.882%  kept
          HB2   ASP-  44 - HN    GLN   90  14.17 +/- 2.46   2.534% *  0.2476% (0.73   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    GLN   90  20.46 +/- 3.06   0.442% *  0.2848% (0.84   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    GLN   90  21.45 +/- 1.99   0.276% *  0.3380% (0.99   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  27.58 +/- 6.97   0.331% *  0.2068% (0.61   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLN   90  28.32 +/- 5.83   0.218% *  0.2606% (0.76   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  27.41 +/- 5.44   0.178% *  0.2476% (0.73   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLN   90  20.72 +/- 2.06   0.317% *  0.0850% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  31.06 +/- 6.54   0.154% *  0.0675% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.13 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   3.19 +/- 0.43  78.013% * 97.9737% (0.92  10.0   5.59  94.81) =  99.796%  kept
          HB2   MET   92 - HN    GLN   90   6.86 +/- 1.68  12.537% *  1.1794% (0.38   1.0   0.59   0.19) =   0.193%  kept
          QB    LYS+  81 - HN    GLN   90   9.30 +/- 1.17   4.134% *  0.1024% (0.97   1.0   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    GLN   90  14.99 +/- 1.96   1.028% *  0.1040% (0.98   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   90  16.08 +/- 2.80   0.894% *  0.0921% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  16.98 +/- 4.02   1.019% *  0.0771% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    GLN   90  26.23 +/- 4.48   0.632% *  0.0687% (0.65   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  21.02 +/- 3.39   0.428% *  0.0729% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.53 +/- 2.02   0.306% *  0.0811% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  26.30 +/- 3.61   0.186% *  0.0921% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  24.07 +/- 4.62   0.287% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  21.57 +/- 3.89   0.425% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  30.41 +/- 3.01   0.112% *  0.0771% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 7.31, residual support = 40.9:
          QG2   ILE   89 - HN    GLN   90   3.01 +/- 0.69 100.000% *100.0000% (0.65   7.31  40.90) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 5.89, residual support = 40.9:
          QD1   ILE   89 - HN    GLN   90   4.34 +/- 0.53  71.240% * 99.5468% (0.49   5.89  40.90) =  99.932%  kept
          QG2   VAL   83 - HN    GLN   90   7.18 +/- 1.03  21.177% *  0.1730% (0.25   0.02   0.02) =   0.052%
          QG2   VAL   75 - HN    GLN   90  11.99 +/- 2.22   5.364% *  0.1730% (0.25   0.02   0.02) =   0.013%
          QG2   VAL   42 - HN    GLN   90  16.16 +/- 2.19   2.219% *  0.1071% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.51 A violated in 0 structures by 0.14 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 9.51:
      O   HA    ALA   88 - HN    ILE   89   3.25 +/- 0.28  76.609% * 99.4024% (0.99  10.0   4.11   9.51) =  99.987%  kept
          HA    SER   48 - HN    ILE   89  14.01 +/- 3.85   3.329% *  0.0968% (0.97   1.0   0.02   0.02) =   0.004%
          QB    SER   85 - HN    ILE   89   6.13 +/- 0.55  11.942% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ILE   89  10.61 +/- 0.69   2.256% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  15.66 +/- 3.46   0.981% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    ILE   89  22.91 +/- 4.94   2.775% *  0.0279% (0.28   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ILE   89  25.15 +/- 7.22   0.407% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  27.91 +/- 5.76   0.224% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  27.18 +/- 6.04   0.243% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  23.58 +/- 3.79   0.517% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  30.45 +/- 8.12   0.290% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  29.57 +/- 4.54   0.150% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  22.44 +/- 1.98   0.278% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 216.9:
      O   HA    ILE   89 - HN    ILE   89   2.65 +/- 0.24  98.934% * 99.5011% (0.34  10.0   6.00 216.93) =  99.999%  kept
          HB    THR  118 - HN    ILE   89  20.56 +/- 2.81   0.277% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  19.01 +/- 3.14   0.455% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  28.97 +/- 3.44   0.091% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  26.35 +/- 3.74   0.131% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  28.89 +/- 5.16   0.112% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 216.9:
      O   HB    ILE   89 - HN    ILE   89   2.86 +/- 0.72  94.520% * 99.6919% (0.45  10.0   5.57 216.93) =  99.994%  kept
          QD    LYS+  81 - HN    ILE   89  10.09 +/- 1.30   3.176% *  0.0997% (0.45   1.0   0.02   0.02) =   0.003%
          HB    VAL   43 - HN    ILE   89  13.68 +/- 2.91   2.054% *  0.1170% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    ILE   89  24.04 +/- 3.30   0.250% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.13 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.77, residual support = 216.6:
          HG12  ILE   89 - HN    ILE   89   2.87 +/- 0.60  86.143% * 96.8523% (0.76   5.78 216.93) =  99.823%  kept
          QB    ALA   91 - HN    ILE   89   6.60 +/- 1.28  11.438% *  1.2284% (0.31   0.18   7.73) =   0.168%  kept
          HG2   LYS+  74 - HN    ILE   89  17.55 +/- 1.99   0.574% *  0.3803% (0.87   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    ILE   89  17.69 +/- 2.82   0.655% *  0.3012% (0.69   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    ILE   89  24.12 +/- 4.07   0.308% *  0.3932% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    ILE   89  26.05 +/- 3.58   0.196% *  0.3662% (0.84   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  25.21 +/- 6.01   0.251% *  0.2836% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  21.42 +/- 2.94   0.323% *  0.1353% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  30.39 +/- 4.02   0.112% *  0.0593% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.56, residual support = 216.7:
          QG2   ILE   89 - HN    ILE   89   3.15 +/- 0.68  89.186% * 98.9346% (1.00   6.57 216.93) =  99.882%  kept
          QG1   VAL   83 - HN    ILE   89   7.10 +/- 0.99  10.179% *  1.0190% (0.53   0.13   0.02) =   0.117%  kept
          QD1   LEU  104 - HN    ILE   89  20.03 +/- 3.24   0.635% *  0.0465% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 216.9:
          HG13  ILE   89 - HN    ILE   89   3.75 +/- 0.67 100.000% *100.0000% (0.90   5.52 216.93) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.1:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.02  96.343% * 99.0917% (0.84  10.0   1.63  12.09) =  99.995%  kept
          HA    SER   48 - HN    ALA   88  15.69 +/- 4.09   1.407% *  0.1425% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    ALA   88   9.27 +/- 0.65   1.398% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ALA   88  17.79 +/- 3.50   0.271% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  26.33 +/- 7.57   0.115% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  27.64 +/- 6.99   0.101% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  28.35 +/- 6.65   0.097% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  24.82 +/- 3.74   0.132% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  30.09 +/- 5.26   0.058% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  24.56 +/- 2.23   0.078% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.725, support = 2.08, residual support = 12.1:
      O   QB    ALA   88 - HN    ALA   88   2.88 +/- 0.12  75.744% * 98.3910% (0.73  10.0   2.08  12.09) =  99.826%  kept
          QB    ALA   84 - HN    ALA   88   4.87 +/- 0.31  16.430% *  0.7572% (0.15   1.0   0.72   0.02) =   0.167%  kept
          HB3   LEU   80 - HN    ALA   88   9.80 +/- 1.15   2.116% *  0.0931% (0.69   1.0   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    ALA   88   9.62 +/- 1.81   2.931% *  0.0462% (0.34   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ALA   88  16.10 +/- 2.89   1.334% *  0.0607% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   88  19.77 +/- 3.05   0.298% *  0.1215% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  24.82 +/- 6.79   0.312% *  0.1132% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  26.92 +/- 3.98   0.125% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  22.68 +/- 3.33   0.216% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  30.24 +/- 4.06   0.085% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  21.06 +/- 4.50   0.324% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  29.44 +/- 3.31   0.085% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.72 +/- 0.06  96.084% * 99.8429% (0.73  10.0   4.15  74.38) =  99.998%  kept
          HB    THR   46 - HN    TRP   87  14.07 +/- 2.13   2.482% *  0.0469% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PHE   60 - HN    TRP   87  18.63 +/- 2.98   1.114% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  26.79 +/- 3.95   0.321% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.95, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.94 +/- 0.51  94.294% * 97.4919% (0.80   3.96  22.70) =  99.977%  kept
          QE    LYS+  65 - HN    TRP   87  22.13 +/- 5.32   1.307% *  0.5941% (0.97   0.02   0.02) =   0.008%
          HB2   ASP-  78 - HN    TRP   87  12.36 +/- 1.93   2.233% *  0.3239% (0.53   0.02   0.02) =   0.008%
          HB2   ASN   28 - HN    TRP   87  23.93 +/- 7.85   0.437% *  0.6156% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HN    TRP   87  13.28 +/- 1.78   1.355% *  0.0950% (0.15   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    TRP   87  25.99 +/- 4.99   0.211% *  0.6034% (0.98   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    TRP   87  28.79 +/- 5.43   0.162% *  0.2760% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.86 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   2.80 +/- 0.19  99.396% * 99.8532% (1.00  10.0   4.01  74.38) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  25.12 +/- 8.16   0.440% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  25.07 +/- 2.57   0.164% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.527, support = 2.21, residual support = 5.07:
          QB    ALA   88 - HN    TRP   87   4.42 +/- 0.12  81.832% * 96.6405% (0.53   2.21   5.08) =  99.706%  kept
          QG2   THR   77 - HN    TRP   87   8.77 +/- 1.77  14.151% *  1.4897% (0.90   0.02   0.02) =   0.266%  kept
          QG2   THR   23 - HN    TRP   87  20.13 +/- 5.14   1.556% *  0.8739% (0.53   0.02   0.02) =   0.017%
          QB    ALA   34 - HN    TRP   87  20.35 +/- 4.00   1.483% *  0.3698% (0.22   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    TRP   87  28.70 +/- 4.28   0.402% *  0.3698% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    TRP   87  25.53 +/- 4.33   0.575% *  0.2563% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.58 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 = 0.843, support = 1.79, residual support = 17.3:
          QD1   ILE   89 - HN    TRP   87   4.39 +/- 1.01  42.021% * 66.9626% (0.76   2.37  17.50) =  60.507%  kept
          QG2   VAL   83 - HN    TRP   87   3.93 +/- 0.50  56.667% * 32.3955% (0.97   0.91  17.07) =  39.475%  kept
          QD2   LEU   31 - HN    TRP   87  18.25 +/- 5.43   1.312% *  0.6418% (0.87   0.02   0.02) =   0.018%
    Distance limit 4.35 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 = 0.51, support = 1.12, residual support = 17.2:
          QG2   VAL   83 - HE1   TRP   87   2.40 +/- 0.72  88.820% * 30.5801% (0.45   1.03  17.07) =  77.776%  kept
          QD1   ILE   89 - HE1   TRP   87   5.61 +/- 1.03  11.180% * 69.4199% (0.73   1.44  17.50) =  22.224%  kept
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.759, support = 3.22, residual support = 12.9:
          QB    SER   85 - HN    ASP-  86   3.10 +/- 0.23  66.487% * 82.6650% (0.76   3.33  13.43) =  96.129%  kept
          HA    ALA   88 - HN    ASP-  86   5.08 +/- 0.27  15.693% * 12.7544% (0.69   0.57   0.02) =   3.501%  kept
          HB2   SER   82 - HN    ASP-  86   5.86 +/- 0.63  11.459% *  1.6820% (0.15   0.34   0.02) =   0.337%  kept
          HA    LYS+  65 - HN    ASP-  86  23.75 +/- 5.15   1.025% *  0.5430% (0.84   0.02   0.02) =   0.010%
          HA    SER   48 - HN    ASP-  86  16.03 +/- 3.53   1.436% *  0.2915% (0.45   0.02   0.02) =   0.007%
          HD2   PRO   52 - HN    ASP-  86  18.60 +/- 3.44   0.557% *  0.5830% (0.90   0.02   0.02) =   0.006%
          QB    SER   48 - HN    ASP-  86  14.40 +/- 3.20   1.442% *  0.1447% (0.22   0.02   0.02) =   0.004%
          HB    THR   94 - HN    ASP-  86  12.65 +/- 2.30   1.305% *  0.1003% (0.15   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    ASP-  86  30.29 +/- 9.46   0.244% *  0.4968% (0.76   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    ASP-  86  26.92 +/- 7.52   0.256% *  0.4721% (0.73   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ASP-  86  29.23 +/- 3.53   0.096% *  0.2673% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.97 +/- 0.24  97.767% * 95.3192% (0.61   2.25  10.79) =  99.977%  kept
          HB2   CYS   53 - HN    ASP-  86  18.67 +/- 3.37   0.602% *  1.3481% (0.97   0.02   0.02) =   0.009%
          HD2   PRO   58 - HN    ASP-  86  22.88 +/- 5.35   0.555% *  0.9596% (0.69   0.02   0.02) =   0.006%
          HD3   PRO   52 - HN    ASP-  86  19.27 +/- 3.76   0.530% *  0.7350% (0.53   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  25.34 +/- 6.46   0.304% *  0.8473% (0.61   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ASP-  86  25.78 +/- 4.91   0.241% *  0.7909% (0.57   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.52 +/- 0.42  97.171% * 99.6258% (0.98  10.0   5.01  42.45) =  99.998%  kept
          HB2   ASN   28 - HN    ASP-  86  23.60 +/- 8.92   0.633% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASP-  86  22.48 +/- 5.77   0.421% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  11.82 +/- 1.68   1.406% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  26.13 +/- 5.54   0.206% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  28.96 +/- 5.91   0.163% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.55, residual support = 42.5:
      O   HB3   ASP-  86 - HN    ASP-  86   2.75 +/- 0.51  97.903% * 99.2823% (0.41  10.0   3.55  42.45) =  99.996%  kept
          HG3   MET   96 - HN    ASP-  86  16.10 +/- 3.88   1.305% *  0.2394% (0.99   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    ASP-  86  24.75 +/- 4.55   0.330% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  86  31.26 +/- 5.35   0.116% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  26.96 +/- 8.51   0.347% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.20 +/- 0.12  83.523% * 99.3113% (0.76  10.0   3.15  18.03) =  99.988%  kept
          HA    ALA   88 - HN    SER   85   4.97 +/- 0.58   7.991% *  0.0893% (0.69   1.0   0.02   0.02) =   0.009%
          HB2   SER   82 - HN    SER   85   5.61 +/- 0.29   5.392% *  0.0201% (0.15   1.0   0.02   2.87) =   0.001%
          HA    LYS+  65 - HN    SER   85  23.43 +/- 5.35   0.546% *  0.1085% (0.84   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER   85  17.51 +/- 3.73   0.321% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  15.02 +/- 3.71   0.622% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  13.43 +/- 3.45   0.840% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  12.79 +/- 1.98   0.537% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  30.60 +/- 9.47   0.097% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  27.58 +/- 7.18   0.088% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  29.39 +/- 3.56   0.042% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.62 +/- 0.02  93.536% * 99.3529% (0.49  10.0   3.27  20.68) =  99.993%  kept
          HB2   TRP   49 - HN    SER   85  17.78 +/- 3.81   1.973% *  0.1402% (0.69   1.0   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    SER   85  14.17 +/- 1.55   1.806% *  0.1074% (0.53   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    SER   85  17.90 +/- 2.64   0.971% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    SER   85  22.21 +/- 5.42   1.033% *  0.0568% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  25.37 +/- 3.79   0.353% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  25.29 +/- 3.30   0.329% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.997, support = 3.98, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.60 +/- 0.10  89.387% * 96.0230% (1.00   3.98  20.68) =  99.968%  kept
          HB3   LEU   80 - HN    SER   85   6.78 +/- 0.85   5.963% *  0.2543% (0.53   0.02   0.02) =   0.018%
          HB3   PRO   93 - HN    SER   85  14.74 +/- 2.20   0.682% *  0.4833% (1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    SER   85  16.03 +/- 2.30   0.517% *  0.3693% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    SER   85  23.83 +/- 6.17   1.032% *  0.1492% (0.31   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    SER   85  21.48 +/- 4.31   0.231% *  0.4664% (0.97   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    SER   85  19.54 +/- 3.36   0.291% *  0.2931% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  22.12 +/- 4.13   0.262% *  0.3126% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  23.99 +/- 7.30   0.332% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  22.56 +/- 3.42   0.216% *  0.2352% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    SER   85  18.58 +/- 1.62   0.269% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    SER   85  21.18 +/- 3.70   0.242% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  20.21 +/- 2.37   0.241% *  0.1492% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  29.36 +/- 3.69   0.074% *  0.4334% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  25.34 +/- 4.72   0.138% *  0.1987% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  27.51 +/- 6.09   0.124% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.75, residual support = 17.2:
      O   HA    ALA   84 - HN    ALA   84   2.75 +/- 0.05  96.308% * 99.3529% (0.49  10.0   3.76  17.21) =  99.996%  kept
          HA    VAL   75 - HN    ALA   84  11.75 +/- 1.59   1.644% *  0.1074% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA   84  16.77 +/- 3.07   0.628% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA   84  17.29 +/- 2.98   0.558% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  23.51 +/- 3.53   0.195% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  20.45 +/- 4.91   0.480% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  23.69 +/- 3.21   0.188% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.33, residual support = 39.3:
          HB    VAL   83 - HN    ALA   84   3.10 +/- 0.21  85.687% * 97.8483% (0.99   5.33  39.31) =  99.975%  kept
          QD    LYS+  65 - HN    ALA   84  19.96 +/- 5.14   2.022% *  0.3576% (0.97   0.02   0.02) =   0.009%
          HG3   PRO   93 - HN    ALA   84  13.26 +/- 2.40   2.010% *  0.1950% (0.53   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    ALA   84  11.65 +/- 3.39   5.369% *  0.0649% (0.18   0.02   0.02) =   0.004%
          QB    ALA   57 - HN    ALA   84  16.08 +/- 4.59   2.337% *  0.0649% (0.18   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HN    ALA   84  14.82 +/- 1.61   0.974% *  0.1524% (0.41   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    ALA   84  22.12 +/- 3.80   0.305% *  0.2691% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   84  25.06 +/- 3.69   0.205% *  0.3506% (0.95   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    ALA   84  25.45 +/- 3.28   0.188% *  0.3673% (0.99   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  21.48 +/- 3.49   0.391% *  0.0924% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  29.02 +/- 3.55   0.129% *  0.1804% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  21.62 +/- 3.74   0.384% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.05, residual support = 17.2:
      O   QB    ALA   84 - HN    ALA   84   2.02 +/- 0.05  79.826% * 98.7027% (0.87  10.0   4.05  17.21) =  99.918%  kept
          HB3   LEU   80 - HN    ALA   84   4.42 +/- 0.97  16.666% *  0.3751% (0.28   1.0   0.24   0.02) =   0.079%
          HG3   LYS+  65 - HN    ALA   84  21.53 +/- 5.78   1.542% *  0.0644% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   84  13.24 +/- 1.98   0.379% *  0.1020% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  18.54 +/- 3.74   0.179% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  14.10 +/- 1.85   0.291% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  16.40 +/- 1.80   0.181% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  20.16 +/- 4.52   0.135% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  21.20 +/- 3.20   0.100% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  18.28 +/- 2.33   0.133% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.98 +/- 3.80   0.155% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  24.57 +/- 4.77   0.067% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  25.68 +/- 5.93   0.065% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  22.29 +/- 6.95   0.170% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.79 +/- 3.50   0.038% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  26.38 +/- 6.63   0.073% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.692, support = 5.74, residual support = 38.5:
          QG1   VAL   83 - HN    ALA   84   3.82 +/- 0.64  69.884% * 93.3376% (0.69   5.85  39.31) =  98.036%  kept
          QD2   LEU   80 - HN    ALA   84   6.02 +/- 0.73  24.735% *  5.2073% (0.95   0.24   0.02) =   1.936%  kept
          QD1   LEU   73 - HN    ALA   84  14.19 +/- 2.17   2.068% *  0.2816% (0.61   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    ALA   84  20.32 +/- 3.95   1.094% *  0.4633% (1.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    ALA   84  17.32 +/- 1.98   0.956% *  0.4286% (0.92   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    ALA   84  17.22 +/- 3.60   1.262% *  0.2816% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.747, support = 5.78, residual support = 37.8:
          QG2   VAL   83 - HN    ALA   84   3.46 +/- 0.60  63.761% * 87.4070% (0.76   6.08  39.31) =  93.765%  kept
          QD1   ILE   89 - HN    ALA   84   5.59 +/- 1.47  30.465% * 12.1338% (0.49   1.33  14.42) =   6.219%  kept
          QD2   LEU   31 - HN    ALA   84  17.16 +/- 5.62   1.585% *  0.3754% (1.00   0.02   0.02) =   0.010%
          QG2   VAL   43 - HN    ALA   84  10.32 +/- 2.86   4.190% *  0.0838% (0.22   0.02   0.02) =   0.006%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.754, support = 4.09, residual support = 19.1:
          HB2   SER   82 - HN    VAL   83   3.50 +/- 0.44  86.798% * 97.0051% (0.75   4.09  19.09) =  99.951%  kept
          HA    ALA   88 - HN    VAL   83   8.87 +/- 0.59   6.233% *  0.2685% (0.43   0.02   0.02) =   0.020%
          HA    SER   48 - HN    VAL   83  15.03 +/- 3.04   2.251% *  0.3797% (0.60   0.02   0.02) =   0.010%
          HA    GLU-  29 - HN    VAL   83  23.76 +/- 8.55   1.090% *  0.4648% (0.74   0.02   0.02) =   0.006%
          HA    VAL   18 - HN    VAL   83  22.62 +/- 9.32   0.808% *  0.4700% (0.75   0.02   0.02) =   0.005%
          HA    LYS+  33 - HN    VAL   83  26.63 +/- 6.65   0.438% *  0.4253% (0.68   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  24.94 +/- 7.76   0.711% *  0.2495% (0.40   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    VAL   83  18.04 +/- 3.25   0.880% *  0.1618% (0.26   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    VAL   83  21.96 +/- 2.63   0.464% *  0.2876% (0.46   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   83  23.91 +/- 2.80   0.328% *  0.2876% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.69, residual support = 84.8:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.03  97.912% * 99.4506% (0.46  10.0   4.69  84.83) =  99.998%  kept
          HB2   CYS   53 - HN    VAL   83  17.83 +/- 2.84   0.500% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    VAL   83  21.73 +/- 5.19   0.416% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    VAL   83  22.92 +/- 7.25   0.461% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  18.85 +/- 3.53   0.473% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  24.79 +/- 5.34   0.237% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.76, residual support = 84.8:
      O   HB    VAL   83 - HN    VAL   83   2.21 +/- 0.24  94.579% * 99.4176% (0.75  10.0   4.76  84.83) =  99.997%  kept
          QD    LYS+  65 - HN    VAL   83  20.06 +/- 5.19   1.074% *  0.0968% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    VAL   83  14.76 +/- 3.04   1.275% *  0.0528% (0.40   1.0   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    VAL   83  13.53 +/- 3.81   1.116% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  14.74 +/- 1.98   0.410% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  16.99 +/- 4.50   0.828% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  21.79 +/- 4.71   0.199% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  24.59 +/- 3.80   0.090% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.29 +/- 4.50   0.094% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  22.96 +/- 3.74   0.134% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.23 +/- 4.03   0.060% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  23.08 +/- 4.02   0.142% *  0.0155% (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 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.366, support = 0.02, residual support = 0.02:
          HB2   LEU   80 - HN    VAL   83   4.04 +/- 0.64  75.500% *  2.8578% (0.19   0.02   0.02) =  54.826%  kept
          HG3   LYS+  65 - HN    VAL   83  21.64 +/- 5.77   4.358% * 10.5799% (0.70   0.02   0.02) =  11.717%  kept
          QB    LEU   98 - HN    VAL   83  16.98 +/- 4.42   3.086% *  7.8727% (0.52   0.02   0.02) =   6.173%  kept
          HB3   LEU   73 - HN    VAL   83  16.12 +/- 2.79   2.336% *  9.9416% (0.65   0.02   0.02) =   5.901%  kept
          HG3   LYS+ 106 - HN    VAL   83  18.89 +/- 4.81   2.424% *  7.4142% (0.49   0.02   0.02) =   4.568%  kept
          HB    VAL   42 - HN    VAL   83  18.07 +/- 2.71   1.299% * 10.5799% (0.70   0.02   0.02) =   3.491%  kept
          HB3   LYS+  74 - HN    VAL   83  15.51 +/- 2.26   2.255% *  4.7118% (0.31   0.02   0.02) =   2.700%  kept
          HB3   PRO   93 - HN    VAL   83  14.54 +/- 2.63   5.160% *  1.7684% (0.12   0.02   0.02) =   2.319%  kept
          HG3   LYS+  33 - HN    VAL   83  24.77 +/- 6.84   0.793% * 11.0607% (0.73   0.02   0.02) =   2.228%  kept
          HG3   LYS+ 102 - HN    VAL   83  24.15 +/- 5.91   0.864% *  9.5730% (0.63   0.02   0.02) =   2.102%  kept
          QB    ALA   12 - HN    VAL   83  25.71 +/- 7.05   0.699% * 10.5799% (0.70   0.02   0.02) =   1.880%  kept
          HB2   LYS+ 112 - HN    VAL   83  22.47 +/- 3.27   0.669% *  8.7588% (0.58   0.02   0.02) =   1.489%  kept
          HD3   LYS+ 121 - HN    VAL   83  26.28 +/- 4.50   0.556% *  4.3014% (0.28   0.02   0.02) =   0.607%  kept
    Distance limit 3.90 A violated in 0 structures by 0.35 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 = 0.732, support = 5.19, residual support = 81.7:
          QG1   VAL   83 - HN    VAL   83   2.54 +/- 0.47  73.871% * 86.6633% (0.75   5.33  84.83) =  96.334%  kept
          QD2   LEU   80 - HN    VAL   83   4.64 +/- 0.75  20.864% * 11.2881% (0.31   1.67   0.02) =   3.544%  kept
          QG2   ILE   89 - HN    VAL   83   7.00 +/- 0.80   4.655% *  1.7132% (0.46   0.17   0.02) =   0.120%  kept
          QD1   LEU  104 - HN    VAL   83  20.14 +/- 4.83   0.312% *  0.2122% (0.49   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   83  18.03 +/- 2.17   0.297% *  0.1231% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.07, residual support = 82.8:
          QG2   VAL   83 - HN    VAL   83   3.53 +/- 0.19  81.887% * 87.5980% (0.74   5.18  84.83) =  97.625%  kept
          QD1   ILE   89 - HN    VAL   83   7.17 +/- 1.39  14.247% * 12.1925% (0.73   0.73   0.02) =   2.364%  kept
          QD2   LEU   31 - HN    VAL   83  16.42 +/- 6.40   3.866% *  0.2095% (0.46   0.02   0.02) =   0.011%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.3, residual support = 34.7:
      O   HB2   SER   82 - HN    SER   82   2.73 +/- 0.53  93.448% * 99.3063% (0.87  10.0   4.30  34.71) =  99.996%  kept
          HA    ALA   88 - HN    SER   82   9.91 +/- 0.80   2.590% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   82  15.50 +/- 3.46   1.389% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  23.46 +/- 9.80   0.508% *  0.1057% (0.92   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  24.39 +/- 9.07   0.475% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    SER   82  27.54 +/- 7.06   0.178% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  23.22 +/- 2.63   0.187% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  25.19 +/- 3.18   0.168% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.56 +/- 3.48   0.623% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  25.90 +/- 8.00   0.299% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.96 +/- 4.16   0.133% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 3.69, residual support = 34.7:
      O   HB3   SER   82 - HN    SER   82   2.59 +/- 0.44  97.146% * 99.2682% (0.69  10.0   3.69  34.71) =  99.997%  kept
          HA    ILE   89 - HN    SER   82  11.40 +/- 0.49   1.389% *  0.1445% (1.00   1.0   0.02   0.02) =   0.002%
          QB    SER   13 - HN    SER   82  26.09 +/- 7.18   0.234% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  23.52 +/- 3.47   0.194% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  25.13 +/- 3.66   0.156% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  27.47 +/- 4.35   0.121% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.28 +/- 3.74   0.348% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  23.73 +/- 7.72   0.412% *  0.0223% (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 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 19.9:
          QB    LYS+  81 - HN    SER   82   3.17 +/- 0.37  89.008% * 96.7507% (0.97   5.13  19.91) =  99.967%  kept
          HB3   GLN   90 - HN    SER   82  12.33 +/- 1.53   2.162% *  0.3608% (0.92   0.02   0.02) =   0.009%
          HB2   MET   92 - HN    SER   82  14.53 +/- 3.70   2.484% *  0.1467% (0.38   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    SER   82  21.67 +/- 5.01   1.227% *  0.2838% (0.73   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    SER   82  18.33 +/- 3.66   0.786% *  0.3832% (0.98   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    SER   82  21.22 +/- 7.77   1.235% *  0.2057% (0.53   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    SER   82  20.92 +/- 3.72   0.510% *  0.3391% (0.87   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    SER   82  23.75 +/- 6.39   0.508% *  0.3391% (0.87   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  22.20 +/- 4.80   0.470% *  0.2685% (0.69   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    SER   82  24.18 +/- 3.71   0.308% *  0.2987% (0.76   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    SER   82  25.84 +/- 4.35   0.324% *  0.2529% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  24.53 +/- 6.32   0.813% *  0.0870% (0.22   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  28.19 +/- 3.25   0.167% *  0.2838% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.13, residual support = 19.9:
          QG    LYS+  81 - HN    SER   82   3.77 +/- 1.03  91.106% * 98.7715% (0.25   5.13  19.91) =  99.931%  kept
          HG3   ARG+  54 - HN    SER   82  22.20 +/- 5.25   7.229% *  0.7518% (0.49   0.02   0.02) =   0.060%
          HG2   LYS+ 106 - HN    SER   82  21.17 +/- 4.63   1.665% *  0.4767% (0.31   0.02   0.02) =   0.009%
    Distance limit 5.08 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 = 0.893, support = 3.89, residual support = 15.3:
          QG1   VAL   83 - HN    SER   82   4.54 +/- 0.57  44.215% * 78.6168% (0.95   4.47  19.09) =  79.726%  kept
          QD2   LEU   80 - HN    SER   82   4.56 +/- 0.63  43.128% * 20.4522% (0.69   1.60   0.41) =  20.231%  kept
          QG2   ILE   89 - HN    SER   82   8.36 +/- 0.77   7.608% *  0.1269% (0.34   0.02   0.02) =   0.022%
          QD1   LEU  104 - HN    SER   82  21.51 +/- 4.60   1.003% *  0.3337% (0.90   0.02   0.02) =   0.008%
          QD1   LEU   73 - HN    SER   82  14.48 +/- 3.20   2.037% *  0.1149% (0.31   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    SER   82  19.16 +/- 2.38   0.768% *  0.2407% (0.65   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    SER   82  18.40 +/- 4.04   1.241% *  0.1149% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.79, residual support = 111.1:
      O   QB    LYS+  81 - HN    LYS+  81   2.26 +/- 0.19  95.245% * 99.1460% (0.97  10.0   5.79 111.15) =  99.997%  kept
          HG2   ARG+  54 - HN    LYS+  81  20.28 +/- 4.53   1.341% *  0.0746% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LYS+  81  12.14 +/- 1.78   0.824% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+  81  19.87 +/- 3.44   0.339% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.19 +/- 3.49   0.687% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  18.60 +/- 3.15   0.207% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  20.72 +/- 7.28   0.320% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  23.46 +/- 5.92   0.143% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  23.33 +/- 6.06   0.487% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  24.98 +/- 4.13   0.147% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  22.75 +/- 4.18   0.115% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  24.23 +/- 3.13   0.089% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.05 +/- 2.73   0.056% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.82, residual support = 111.1:
          QG    LYS+  81 - HN    LYS+  81   2.64 +/- 0.43  97.287% * 98.9552% (0.97   5.82 111.15) =  99.995%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.72 +/- 2.64   1.320% *  0.1202% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+ 106 - HN    LYS+  81  21.55 +/- 4.05   0.482% *  0.3254% (0.92   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    LYS+  81  25.35 +/- 6.88   0.263% *  0.3334% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  22.22 +/- 3.57   0.259% *  0.1088% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  25.10 +/- 4.35   0.235% *  0.0785% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  26.42 +/- 3.89   0.154% *  0.0785% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.424, support = 5.79, residual support = 41.3:
          QD2   LEU   80 - HN    LYS+  81   4.03 +/- 0.63  37.317% * 78.0899% (0.53   6.00  41.33) =  72.578%  kept
          QD1   LEU   80 - HN    LYS+  81   3.51 +/- 1.11  55.038% * 19.9628% (0.15   5.23  41.33) =  27.364%  kept
          QD1   LEU   73 - HN    LYS+  81  13.72 +/- 2.80   2.148% *  0.4437% (0.90   0.02   0.02) =   0.024%
          QD1   LEU   63 - HN    LYS+  81  17.59 +/- 3.90   1.013% *  0.4437% (0.90   0.02   0.02) =   0.011%
          QD2   LEU   63 - HN    LYS+  81  18.04 +/- 3.89   0.974% *  0.4132% (0.84   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    LYS+  81  18.50 +/- 2.28   0.548% *  0.2801% (0.57   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LYS+  81  16.03 +/- 3.18   1.083% *  0.1376% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    LYS+  81  17.23 +/- 4.16   1.262% *  0.0763% (0.15   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LYS+  81  21.59 +/- 4.11   0.617% *  0.1527% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.572, support = 3.82, residual support = 15.4:
          HB2   ASP-  78 - HN    GLU-  79   3.15 +/- 0.56  40.323% * 74.6900% (0.60   4.65  20.70) =  70.977%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.89 +/- 0.71  49.967% * 24.6294% (0.51   1.80   2.58) =  29.003%  kept
          QE    LYS+  65 - HN    GLU-  79  15.30 +/- 4.77   8.147% *  0.0911% (0.17   0.02   0.02) =   0.017%
          HB2   ASP-  86 - HN    GLU-  79  11.29 +/- 1.32   1.043% *  0.0444% (0.08   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    GLU-  79  19.98 +/- 5.96   0.250% *  0.1347% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    GLU-  79  22.13 +/- 2.96   0.140% *  0.2380% (0.44   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  22.19 +/- 4.31   0.131% *  0.1724% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.094, support = 4.31, residual support = 56.6:
      O   HB2   GLU-  79 - HN    GLU-  79   2.90 +/- 0.42  96.343% * 98.3341% (0.09  10.0   4.31  56.62) =  99.987%  kept
          HB2   PRO   58 - HN    GLU-  79  19.57 +/- 4.50   0.933% *  0.5103% (0.49   1.0   0.02   0.02) =   0.005%
          HG2   PRO   52 - HN    GLU-  79  14.91 +/- 4.49   1.296% *  0.2857% (0.27   1.0   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    GLU-  79  21.07 +/- 6.87   0.628% *  0.4123% (0.39   1.0   0.02   0.02) =   0.003%
          HB3   PHE   97 - HN    GLU-  79  19.61 +/- 1.87   0.363% *  0.2174% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLU-  79  22.07 +/- 2.77   0.279% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  26.15 +/- 2.47   0.157% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.12, residual support = 56.6:
      O   HB3   GLU-  79 - HN    GLU-  79   2.84 +/- 0.61  95.430% * 99.6469% (0.59  10.0   4.12  56.62) =  99.996%  kept
          HB2   GLN   90 - HN    GLU-  79  11.86 +/- 2.42   3.223% *  0.0789% (0.47   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    GLU-  79  22.53 +/- 5.89   0.439% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  22.32 +/- 6.01   0.494% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.77 +/- 2.24   0.249% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  26.31 +/- 1.83   0.164% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 39.5:
      O   HB3   ASP-  78 - HN    ASP-  78   2.71 +/- 0.54  88.453% * 98.7410% (0.49  10.0   3.95  39.54) =  99.931%  kept
          QE    LYS+  74 - HN    ASP-  78   7.70 +/- 1.37   5.676% *  0.8868% (0.98   1.0   0.09   0.02) =   0.058%
          QB    CYS   50 - HN    ASP-  78  10.17 +/- 3.29   4.850% *  0.1958% (0.97   1.0   0.02   0.02) =   0.011%
          HB2   PHE   72 - HN    ASP-  78  14.59 +/- 1.45   0.773% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  21.87 +/- 2.94   0.249% *  0.1312% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 5.29, residual support = 36.2:
      O   HB2   ASP-  78 - HN    ASP-  78   2.79 +/- 0.52  58.137% * 81.8067% (0.98  10.0   5.30  39.54) =  90.351%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.79 +/- 0.70  28.169% * 18.0200% (0.84   1.0   5.17   4.64) =   9.643%  kept
          QE    LYS+  65 - HN    ASP-  78  14.75 +/- 4.67  12.021% *  0.0232% (0.28   1.0   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HN    ASP-  78  11.85 +/- 1.24   1.178% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  22.06 +/- 2.88   0.182% *  0.0606% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  20.83 +/- 5.04   0.186% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  22.63 +/- 3.73   0.127% *  0.0439% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.73, residual support = 28.3:
      O   HA    THR   77 - HN    ASP-  78   3.53 +/- 0.08  89.800% * 99.9219% (0.92  10.0   4.73  28.28) =  99.997%  kept
          HD2   PRO   93 - HN    ASP-  78  11.20 +/- 3.28   7.825% *  0.0270% (0.25   1.0   0.02   0.02) =   0.002%
          HB2   TRP   27 - HN    ASP-  78  16.16 +/- 5.18   1.808% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  20.65 +/- 3.41   0.568% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.99, residual support = 4.64:
          HA    ASP-  76 - HN    ASP-  78   3.65 +/- 0.32  97.602% * 99.7106% (0.95   2.99   4.64) =  99.993%  kept
          HA    LEU   67 - HN    ASP-  78  17.50 +/- 3.08   2.398% *  0.2894% (0.41   0.02   0.02) =   0.007%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.02, residual support = 37.5:
      O   HA    THR   77 - HN    THR   77   2.83 +/- 0.06  89.647% * 99.8846% (0.98  10.0   4.02  37.47) =  99.993%  kept
          HD2   PRO   93 - HN    THR   77  10.13 +/- 3.51   9.357% *  0.0577% (0.57   1.0   0.02   0.02) =   0.006%
          HB2   TRP   27 - HN    THR   77  15.10 +/- 4.56   0.996% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 3.88, residual support = 15.0:
          HB2   ASP-  76 - HN    THR   77   4.08 +/- 0.29  59.132% * 63.0748% (1.00   4.11  11.17) =  77.517%  kept
          HB2   ASP-  78 - HN    THR   77   5.25 +/- 0.55  29.666% * 36.4368% (0.76   3.10  28.28) =  22.465%  kept
          QE    LYS+  66 - HN    THR   77  16.74 +/- 3.45   9.354% *  0.0609% (0.20   0.02   0.02) =   0.012%
          HB2   ASN   69 - HN    THR   77  20.07 +/- 2.47   0.600% *  0.2969% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    THR   77  21.17 +/- 3.36   0.519% *  0.0767% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    THR   77  19.78 +/- 4.39   0.729% *  0.0539% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 11.1:
          HB3   ASP-  76 - HN    THR   77   4.39 +/- 0.29  56.970% * 95.2531% (0.57   3.64  11.17) =  99.703%  kept
          HG3   MET   92 - HN    THR   77  11.06 +/- 3.91   8.431% *  0.9254% (1.00   0.02   0.02) =   0.143%  kept
          HB2   ASP-  44 - HN    THR   77   8.09 +/- 2.31  15.297% *  0.1831% (0.20   0.02   0.02) =   0.051%
          QG    GLN   90 - HN    THR   77  10.47 +/- 1.69   5.132% *  0.3157% (0.34   0.02   0.02) =   0.030%
          QG    GLU-  15 - HN    THR   77  20.81 +/- 7.02   7.728% *  0.1252% (0.14   0.02   0.02) =   0.018%
          HG12  ILE  119 - HN    THR   77  16.38 +/- 1.51   1.222% *  0.6357% (0.69   0.02   0.02) =   0.014%
          HB2   GLU-  29 - HN    THR   77  21.10 +/- 4.24   0.680% *  0.9071% (0.98   0.02   0.02) =   0.011%
          HB3   PHE   72 - HN    THR   77  13.15 +/- 1.14   2.316% *  0.2573% (0.28   0.02   0.02) =   0.011%
          HB2   ASP- 105 - HN    THR   77  18.69 +/- 1.87   0.779% *  0.7410% (0.80   0.02   0.02) =   0.011%
          QG    GLU-  14 - HN    THR   77  21.53 +/- 5.18   1.067% *  0.2060% (0.22   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    THR   77  23.96 +/- 1.88   0.378% *  0.4504% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 37.5:
          QG2   THR   77 - HN    THR   77   2.43 +/- 0.52  83.519% * 96.0926% (0.61   4.02  37.47) =  99.942%  kept
          HB3   ASP-  44 - HN    THR   77   8.31 +/- 2.68   8.577% *  0.1753% (0.22   0.02   0.02) =   0.019%
          HB3   LEU   80 - HN    THR   77   8.15 +/- 1.66   4.486% *  0.3237% (0.41   0.02   0.61) =   0.018%
          QB    ALA   88 - HN    THR   77  12.51 +/- 1.11   0.784% *  0.7447% (0.95   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HN    THR   77  17.74 +/- 4.03   1.039% *  0.5093% (0.65   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    THR   77  13.23 +/- 2.36   1.053% *  0.2430% (0.31   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    THR   77  22.81 +/- 1.92   0.166% *  0.7060% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    THR   77  19.26 +/- 3.73   0.263% *  0.4457% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   77  24.52 +/- 2.15   0.114% *  0.7598% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.881, support = 2.37, residual support = 2.73:
          QB    ALA   47 - HN    THR   77   7.54 +/- 3.46  44.823% * 69.6768% (0.90   2.58   3.19) =  84.810%  kept
          QG1   VAL   42 - HN    THR   77  10.23 +/- 1.31  18.459% * 29.8269% (0.80   1.24   0.20) =  14.951%  kept
          QB    ALA   64 - HN    THR   77   9.38 +/- 1.11  25.147% *  0.2262% (0.38   0.02   0.02) =   0.154%  kept
          HG2   LYS+ 112 - HN    THR   77  16.04 +/- 4.20  11.571% *  0.2702% (0.45   0.02   0.02) =   0.085%
    Distance limit 4.41 A violated in 13 structures by 1.94 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 82.6:
      O   HA    VAL   75 - HN    VAL   75   2.88 +/- 0.05  82.164% * 99.8428% (0.97  10.0   5.23  82.64) =  99.992%  kept
          HA    ALA   61 - HN    VAL   75   8.20 +/- 2.09  15.744% *  0.0353% (0.34   1.0   0.02   0.02) =   0.007%
          HD3   PRO   58 - HN    VAL   75  13.60 +/- 1.98   0.957% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  12.62 +/- 1.68   1.135% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.851, support = 0.851, residual support = 0.925:
          HB2   ASP-  44 - HN    VAL   75   4.85 +/- 2.78  57.929% * 55.6555% (0.87   0.88   0.82) =  85.544%  kept
          HB3   PHE   72 - HN    VAL   75   7.78 +/- 0.56  13.394% * 38.4592% (0.76   0.69   1.65) =  13.667%  kept
          QG    GLU-  15 - HN    VAL   75  16.69 +/- 6.52  13.442% *  1.3725% (0.95   0.02   0.02) =   0.490%  kept
          QB    MET   11 - HN    VAL   75  20.97 +/- 5.16   2.489% *  1.3012% (0.90   0.02   0.02) =   0.086%
          QG    GLU-  14 - HN    VAL   75  17.62 +/- 4.88   2.300% *  1.2119% (0.84   0.02   0.02) =   0.074%
          QG    GLN   90 - HN    VAL   75  14.75 +/- 1.53   2.687% *  0.9966% (0.69   0.02   0.02) =   0.071%
          HG12  ILE  119 - HN    VAL   75  13.46 +/- 1.22   2.544% *  0.4949% (0.34   0.02   0.02) =   0.033%
          HG2   MET   92 - HN    VAL   75  13.92 +/- 2.27   4.556% *  0.2541% (0.18   0.02   0.02) =   0.031%
          HG3   GLU-  36 - HN    VAL   75  21.74 +/- 2.35   0.659% *  0.2541% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.63 A violated in 0 structures by 0.16 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.365, support = 3.6, residual support = 22.9:
          HB3   LYS+  74 - HN    VAL   75   4.51 +/- 0.17  38.709% * 39.9649% (0.20   4.48  31.73) =  70.561%  kept
          HG    LEU   73 - HN    VAL   75   7.23 +/- 1.02  11.488% * 53.4245% (0.76   1.55   1.67) =  27.994%  kept
          QB    ALA   61 - HN    VAL   75   8.25 +/- 1.88  13.202% *  0.8837% (0.98   0.02   0.02) =   0.532%  kept
          HB3   LEU   67 - HN    VAL   75   9.62 +/- 1.51   5.123% *  0.8995% (1.00   0.02   0.02) =   0.210%  kept
          HG    LEU   80 - HN    VAL   75  11.32 +/- 3.29   5.159% *  0.7820% (0.87   0.02   0.30) =   0.184%  kept
          QG    LYS+  66 - HN    VAL   75  12.15 +/- 1.86   3.999% *  0.8322% (0.92   0.02   0.02) =   0.152%  kept
          HG12  ILE   19 - HN    VAL   75  12.97 +/- 6.44   3.597% *  0.6890% (0.76   0.02   0.02) =   0.113%  kept
          HB2   LEU   80 - HN    VAL   75  10.50 +/- 2.40   4.882% *  0.3075% (0.34   0.02   0.30) =   0.068%
          QB    ALA  110 - HN    VAL   75  13.45 +/- 1.77   1.909% *  0.7530% (0.84   0.02   0.02) =   0.066%
          HG    LEU   67 - HN    VAL   75  10.20 +/- 2.13   6.529% *  0.1784% (0.20   0.02   0.02) =   0.053%
          HB3   LEU  115 - HN    VAL   75  13.09 +/- 2.14   2.258% *  0.2507% (0.28   0.02   0.02) =   0.026%
          HG    LEU   40 - HN    VAL   75  12.59 +/- 1.33   2.023% *  0.2507% (0.28   0.02   0.02) =   0.023%
          HG2   LYS+ 102 - HN    VAL   75  21.35 +/- 2.27   0.409% *  0.5832% (0.65   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    VAL   75  18.13 +/- 2.38   0.712% *  0.2007% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.89, residual support = 31.7:
          HG2   LYS+  74 - HN    VAL   75   3.56 +/- 0.57  75.298% * 95.3920% (0.45   5.90  31.73) =  99.820%  kept
          QG2   ILE   56 - HN    VAL   75  10.39 +/- 1.90   5.154% *  0.6255% (0.87   0.02   0.02) =   0.045%
          QB    ALA   91 - HN    VAL   75  11.34 +/- 1.82   3.564% *  0.6959% (0.97   0.02   0.02) =   0.034%
          HG13  ILE   19 - HN    VAL   75  12.57 +/- 6.92   4.596% *  0.4953% (0.69   0.02   0.02) =   0.032%
          QG2   THR   39 - HN    VAL   75  12.97 +/- 1.93   2.603% *  0.6959% (0.97   0.02   0.02) =   0.025%
          QB    ALA   34 - HN    VAL   75  12.45 +/- 1.91   2.340% *  0.4953% (0.69   0.02   0.02) =   0.016%
          HG    LEU   71 - HN    VAL   75  12.26 +/- 1.42   2.981% *  0.2964% (0.41   0.02   0.02) =   0.012%
          QG2   THR   23 - HN    VAL   75  13.08 +/- 3.79   2.290% *  0.2460% (0.34   0.02   0.02) =   0.008%
          HG3   LYS+  38 - HN    VAL   75  20.52 +/- 1.28   0.473% *  0.7068% (0.98   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    VAL   75  18.71 +/- 2.11   0.701% *  0.3510% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.50 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 = 0.933, support = 4.5, residual support = 81.2:
      O   HB    VAL   75 - HN    VAL   75   2.55 +/- 0.49  74.394% * 85.6185% (0.95  10.0   4.45  82.64) =  97.131%  kept
          HG3   LYS+  74 - HN    VAL   75   4.89 +/- 0.39  13.224% * 14.1691% (0.49   1.0   6.43  31.73) =   2.857%  kept
          QD1   LEU   67 - HN    VAL   75   7.43 +/- 1.63   8.344% *  0.0657% (0.73   1.0   0.02   0.02) =   0.008%
          QD2   LEU   40 - HN    VAL   75  10.95 +/- 1.55   2.011% *  0.0692% (0.76   1.0   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    VAL   75  13.25 +/- 1.53   0.716% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  11.59 +/- 1.32   1.311% *  0.0226% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.525, support = 1.51, residual support = 1.49:
          QD2   LEU   73 - HN    VAL   75   5.50 +/- 1.36  26.125% * 60.9932% (0.41   2.08   1.67) =  67.365%  kept
          QG2   THR   46 - HN    VAL   75   5.99 +/- 3.10  28.746% * 18.8698% (0.69   0.39   1.56) =  22.933%  kept
          QG1   VAL   43 - HN    VAL   75   6.79 +/- 2.23  12.883% * 15.6810% (0.97   0.23   0.02) =   8.541%  kept
          QG2   VAL   18 - HN    VAL   75  10.09 +/- 7.19  14.028% *  1.1413% (0.80   0.02   0.02) =   0.677%  kept
          QD1   ILE   19 - HN    VAL   75  10.59 +/- 5.29   9.773% *  0.4862% (0.34   0.02   0.02) =   0.201%  kept
          QG1   VAL   41 - HN    VAL   75  11.05 +/- 1.41   3.075% *  1.4222% (1.00   0.02   0.02) =   0.185%  kept
          HG    LEU   31 - HN    VAL   75  13.45 +/- 2.95   1.475% *  0.8070% (0.57   0.02   0.02) =   0.050%
          QD1   ILE   56 - HN    VAL   75  10.74 +/- 1.76   2.823% *  0.2821% (0.20   0.02   0.02) =   0.034%
          QD2   LEU  104 - HN    VAL   75  14.88 +/- 1.91   1.073% *  0.3173% (0.22   0.02   0.02) =   0.014%
    Distance limit 4.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.23, residual support = 82.6:
          QG1   VAL   75 - HN    VAL   75   3.29 +/- 0.43  96.300% * 99.6846% (0.92   5.23  82.64) =  99.988%  kept
          QD1   LEU  115 - HN    VAL   75  10.89 +/- 2.33   3.700% *  0.3154% (0.76   0.02   0.02) =   0.012%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.483, support = 4.88, residual support = 80.6:
          QG2   VAL   75 - HN    VAL   75   3.24 +/- 0.60  78.514% * 89.8150% (0.49   4.98  82.64) =  97.485%  kept
          QG2   VAL   42 - HN    VAL   75   7.81 +/- 1.73  18.131% * 10.0004% (0.34   0.79   0.02) =   2.507%  kept
          QD1   ILE   89 - HN    VAL   75  11.05 +/- 1.75   3.355% *  0.1847% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.94 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 = 0.694, support = 4.36, residual support = 183.3:
      O   HB3   LYS+  74 - HN    LYS+  74   2.56 +/- 0.26  53.079% * 90.3221% (0.71  10.0   4.34 186.77) =  97.653%  kept
          HB3   LEU   73 - HN    LYS+  74   3.50 +/- 0.78  27.088% *  3.8301% (0.11   1.0   5.48  41.69) =   2.113%  kept
          HG12  ILE   19 - HN    LYS+  74  10.49 +/- 6.32   2.052% *  5.3406% (0.43   1.0   1.95   7.89) =   0.223%  kept
          HB    VAL   42 - HN    LYS+  74   8.51 +/- 2.76  10.389% *  0.0179% (0.14   1.0   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    LYS+  74  12.40 +/- 2.09   0.804% *  0.0785% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LYS+  74  12.70 +/- 2.79   0.654% *  0.0874% (0.68   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LYS+  74   9.70 +/- 1.83   1.564% *  0.0279% (0.22   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LYS+  74  13.20 +/- 3.77   0.816% *  0.0441% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74  10.07 +/- 1.48   1.395% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  16.96 +/- 4.88   0.453% *  0.0549% (0.43   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  18.26 +/- 3.70   0.263% *  0.0905% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.40 +/- 2.24   0.394% *  0.0476% (0.37   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  11.75 +/- 1.64   0.671% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  14.20 +/- 3.45   0.380% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.96, residual support = 41.6:
          QD2   LEU   73 - HN    LYS+  74   3.85 +/- 0.45  80.311% * 97.3482% (0.20   5.96  41.69) =  99.851%  kept
          QD2   LEU  123 - HN    LYS+  74  16.07 +/- 3.56   8.874% *  0.6647% (0.40   0.02   0.02) =   0.075%
          QD1   ILE   56 - HN    LYS+  74  12.61 +/- 2.73   6.105% *  0.6177% (0.37   0.02   0.02) =   0.048%
          HG3   LYS+ 121 - HN    LYS+  74  18.42 +/- 3.14   1.061% *  1.1637% (0.70   0.02   0.02) =   0.016%
          HG    LEU   31 - HN    LYS+  74  11.48 +/- 2.13   3.649% *  0.2056% (0.12   0.02   0.02) =   0.010%
    Distance limit 3.89 A violated in 0 structures by 0.18 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.71, residual support = 41.7:
          HB2   LEU   73 - HN    LYS+  74   3.05 +/- 1.03  78.895% * 97.9625% (0.64   5.71  41.69) =  99.935%  kept
          QD    LYS+  99 - HN    LYS+  74  15.77 +/- 3.05   3.542% *  0.3815% (0.71   0.02   0.02) =   0.017%
          QG1   ILE   56 - HN    LYS+  74  12.82 +/- 2.47   6.167% *  0.2165% (0.40   0.02   0.02) =   0.017%
          QD    LYS+ 106 - HN    LYS+  74  15.47 +/- 2.69   2.017% *  0.3790% (0.70   0.02   0.02) =   0.010%
          HG3   PRO   93 - HN    LYS+  74  14.12 +/- 3.38   3.771% *  0.1304% (0.24   0.02   0.02) =   0.006%
          HB3   MET   92 - HN    LYS+  74  16.06 +/- 2.74   1.594% *  0.2922% (0.54   0.02   0.02) =   0.006%
          HB3   LYS+  99 - HN    LYS+  74  17.13 +/- 2.53   1.558% *  0.1714% (0.32   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    LYS+  74  21.75 +/- 4.38   0.783% *  0.2474% (0.46   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    LYS+  74  19.52 +/- 3.76   0.868% *  0.1435% (0.27   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    LYS+  74  19.12 +/- 2.39   0.806% *  0.0757% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.538, support = 0.02, residual support = 0.17:
          HB    VAL   41 - HN    LYS+  74  11.48 +/- 2.57  15.271% * 15.4986% (0.71   0.02   0.02) =  23.078%  kept
          QB    LYS+  66 - HN    LYS+  74  11.96 +/- 1.79  10.911% * 14.9905% (0.68   0.02   0.02) =  15.948%  kept
          HB2   LEU   71 - HN    LYS+  74   9.54 +/- 1.53  22.753% *  5.8297% (0.27   0.02   1.18) =  12.933%  kept
          HG2   PRO   93 - HN    LYS+  74  14.37 +/- 3.53  11.001% * 11.8708% (0.54   0.02   0.02) =  12.733%  kept
          QB    LYS+  65 - HN    LYS+  74  10.32 +/- 1.63  19.755% *  6.3858% (0.29   0.02   0.02) =  12.301%  kept
          HG    LEU  123 - HN    LYS+  74  18.81 +/- 4.10   8.264% * 11.2793% (0.51   0.02   0.02) =   9.089%  kept
          HG12  ILE  103 - HN    LYS+  74  15.75 +/- 2.67   5.278% * 14.6936% (0.67   0.02   0.02) =   7.562%  kept
          HB3   PRO   52 - HN    LYS+  74  19.07 +/- 3.23   3.180% * 11.2793% (0.51   0.02   0.02) =   3.497%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.92 +/- 2.10   3.587% *  8.1723% (0.37   0.02   0.02) =   2.859%  kept
    Distance limit 4.63 A violated in 18 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.772, support = 5.14, residual support = 41.6:
          HB3   PHE   72 - HN    LEU   73   3.41 +/- 0.86  71.047% * 72.0157% (0.76   5.44  44.90) =  91.939%  kept
          HB2   ASP-  44 - HN    LEU   73   6.98 +/- 2.74  16.774% * 26.5781% (0.87   1.77   3.39) =   8.011%  kept
          QG    GLU-  15 - HN    LEU   73  13.84 +/- 5.50   3.353% *  0.3279% (0.95   0.02   0.02) =   0.020%
          QG    GLU-  14 - HN    LEU   73  15.26 +/- 4.32   2.197% *  0.2895% (0.84   0.02   0.02) =   0.011%
          QB    MET   11 - HN    LEU   73  18.93 +/- 3.70   1.301% *  0.3109% (0.90   0.02   0.02) =   0.007%
          HG12  ILE  119 - HN    LEU   73  12.72 +/- 3.77   2.397% *  0.1182% (0.34   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    LEU   73  18.43 +/- 2.52   0.962% *  0.2381% (0.69   0.02   0.02) =   0.004%
          HG3   GLU-  36 - HN    LEU   73  17.08 +/- 2.91   1.037% *  0.0607% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  17.08 +/- 2.70   0.932% *  0.0607% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.24, residual support = 172.2:
      O   HB2   LEU   73 - HN    LEU   73   3.43 +/- 0.31  78.304% * 99.3783% (0.99  10.0   6.24 172.23) =  99.985%  kept
          QD    LYS+  99 - HN    LEU   73  13.10 +/- 2.49   2.307% *  0.0870% (0.87   1.0   0.02   0.02) =   0.003%
          QG1   ILE   56 - HN    LEU   73  12.10 +/- 3.57   7.765% *  0.0250% (0.25   1.0   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    LEU   73  13.74 +/- 2.04   1.923% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    LEU   73  14.48 +/- 3.72   2.256% *  0.0689% (0.69   1.0   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    LEU   73  17.36 +/- 4.08   2.090% *  0.0728% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    LEU   73  16.28 +/- 2.97   1.082% *  0.0994% (0.99   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  20.53 +/- 4.20   0.581% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  16.94 +/- 2.15   0.897% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    LEU   73  14.18 +/- 2.10   1.418% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  14.26 +/- 2.12   1.375% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.455, support = 6.12, residual support = 150.4:
      O   HB3   LEU   73 - HN    LEU   73   3.01 +/- 0.38  51.267% * 58.7658% (0.41  10.0   6.49 172.23) =  85.143%  kept
          HB3   LYS+  74 - HN    LEU   73   6.02 +/- 0.99  10.868% * 28.5607% (0.87   1.0   4.61  41.69) =   8.772%  kept
          HB    VAL   42 - HN    LEU   73   5.98 +/- 2.12  18.822% * 11.0337% (0.49   1.0   3.17   1.02) =   5.869%  kept
          HG12  ILE   19 - HN    LEU   73   9.64 +/- 6.08   8.426% *  0.8075% (0.28   1.0   0.41   4.66) =   0.192%  kept
          QB    LEU   98 - HN    LEU   73  10.29 +/- 1.30   1.535% *  0.1426% (1.00   1.0   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HN    LEU   73  11.98 +/- 4.11   1.364% *  0.0809% (0.57   1.0   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    LEU   73  15.51 +/- 4.25   0.816% *  0.1194% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    LEU   73  14.76 +/- 3.58   0.877% *  0.0982% (0.69   1.0   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LEU   73  16.75 +/- 3.79   0.621% *  0.1320% (0.92   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   73  17.44 +/- 5.46   1.567% *  0.0441% (0.31   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LEU   73  12.18 +/- 1.26   0.915% *  0.0696% (0.49   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LEU   73  15.14 +/- 4.68   1.157% *  0.0283% (0.20   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   73  14.83 +/- 2.51   0.789% *  0.0318% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  14.16 +/- 1.95   0.702% *  0.0318% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  18.30 +/- 2.36   0.274% *  0.0536% (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 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.969, support = 7.98, residual support = 169.3:
          QD2   LEU   73 - HN    LEU   73   1.95 +/- 0.38  67.562% * 86.5463% (0.98   8.08 172.23) =  98.244%  kept
          QG1   VAL   43 - HN    LEU   73   6.54 +/- 2.22   8.728% * 11.4563% (0.38   2.79   2.81) =   1.680%  kept
          QG1   VAL   41 - HN    LEU   73   8.22 +/- 1.82   2.123% *  1.5064% (0.57   0.24   0.02) =   0.054%
          QG2   VAL   18 - HN    LEU   73   8.90 +/- 6.23  18.972% *  0.0433% (0.20   0.02   0.58) =   0.014%
          QD1   ILE   56 - HN    LEU   73  11.93 +/- 3.51   1.488% *  0.1751% (0.80   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LEU   73   9.32 +/- 2.98   0.959% *  0.2181% (1.00   0.02   1.31) =   0.004%
          HG3   LYS+ 121 - HN    LEU   73  15.77 +/- 3.71   0.169% *  0.0545% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.584, support = 6.04, residual support = 156.5:
          QD1   LEU   73 - HN    LEU   73   3.04 +/- 0.88  51.851% * 64.2516% (0.57   6.55 172.23) =  90.854%  kept
          QD2   LEU   63 - HN    LEU   73   8.12 +/- 1.60   8.716% * 16.1170% (1.00   0.93   0.02) =   3.831%  kept
          QG2   VAL   41 - HN    LEU   73   7.38 +/- 2.39  15.821% *  8.2351% (0.61   0.78   0.02) =   3.553%  kept
          QD1   LEU   63 - HN    LEU   73   8.09 +/- 1.46   5.729% * 10.9480% (0.57   1.12   0.02) =   1.710%  kept
          QD2   LEU  115 - HN    LEU   73  11.36 +/- 3.97   9.336% *  0.0864% (0.25   0.02   0.02) =   0.022%
          QD2   LEU   98 - HN    LEU   73   9.93 +/- 1.90   4.162% *  0.1424% (0.41   0.02   0.02) =   0.016%
          QD1   LEU   80 - HN    LEU   73  13.35 +/- 4.21   2.523% *  0.1424% (0.41   0.02   0.02) =   0.010%
          QD2   LEU   80 - HN    LEU   73  12.24 +/- 3.87   1.862% *  0.0771% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.668, support = 2.84, residual support = 3.54:
          QB    ALA   64 - HN    LEU   73   5.38 +/- 1.25  43.252% * 81.5181% (0.73   3.28   4.20) =  79.003%  kept
          QG1   VAL   42 - HN    LEU   73   4.99 +/- 2.12  52.066% * 17.9751% (0.45   1.17   1.02) =  20.971%  kept
          QB    ALA   47 - HN    LEU   73  13.57 +/- 2.28   2.357% *  0.3871% (0.57   0.02   0.02) =   0.020%
          HG2   LYS+ 112 - HN    LEU   73  16.81 +/- 5.68   2.325% *  0.1197% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.76 A violated in 0 structures by 0.19 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.283, support = 1.67, residual support = 2.73:
          QG2   VAL   43 - HN    LEU   73   6.68 +/- 2.29  43.764% * 90.9828% (0.25   1.76   2.81) =  95.061%  kept
          QD2   LEU   31 - HN    LEU   73   7.21 +/- 3.13  41.024% *  4.1468% (1.00   0.02   1.31) =   4.061%  kept
          QG2   VAL   83 - HN    LEU   73  13.00 +/- 2.42   7.367% *  3.0112% (0.73   0.02   0.02) =   0.530%  kept
          QD1   ILE   89 - HN    LEU   73  14.03 +/- 2.47   7.845% *  1.8592% (0.45   0.02   0.02) =   0.348%  kept
    Distance limit 4.63 A violated in 5 structures by 0.96 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.571, support = 4.77, residual support = 86.1:
      O   HB2   PHE   72 - HN    PHE   72   3.47 +/- 0.43  65.603% * 79.6167% (0.53  10.0   4.99  90.59) =  89.838%  kept
          HA    ALA   64 - HN    PHE   72   5.38 +/- 1.27  29.054% * 20.3300% (0.97   1.0   2.78  46.86) =  10.160%  kept
          HB3   ASN   69 - HN    PHE   72   8.98 +/- 0.52   4.228% *  0.0233% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.58 +/- 1.85   1.115% *  0.0299% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.29, residual support = 90.6:
      O   HB3   PHE   72 - HN    PHE   72   3.17 +/- 0.44  74.824% * 99.3598% (0.76  10.0   5.29  90.59) =  99.968%  kept
          HB2   ASP-  44 - HN    PHE   72   8.20 +/- 1.68  11.835% *  0.1128% (0.87   1.0   0.02   0.02) =   0.018%
          QG    GLU-  15 - HN    PHE   72  12.62 +/- 5.92   3.888% *  0.1230% (0.95   1.0   0.02   0.02) =   0.006%
          HG12  ILE  119 - HN    PHE   72  12.27 +/- 3.38   5.510% *  0.0443% (0.34   1.0   0.02   0.24) =   0.003%
          QG    GLU-  14 - HN    PHE   72  14.49 +/- 4.53   1.572% *  0.1086% (0.84   1.0   0.02   0.02) =   0.002%
          QB    MET   11 - HN    PHE   72  18.62 +/- 3.52   0.533% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  20.46 +/- 2.65   0.446% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    PHE   72  15.81 +/- 2.73   0.869% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  19.15 +/- 2.60   0.522% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.989, support = 4.04, residual support = 19.4:
          HG    LEU   71 - HN    PHE   72   5.17 +/- 0.59  35.450% * 91.1045% (0.99   4.19  20.08) =  96.210%  kept
          HG13  ILE   19 - HN    PHE   72   9.48 +/- 6.27  28.101% *  2.2717% (0.95   0.11   0.02) =   1.902%  kept
          HG2   LYS+  74 - HN    PHE   72   8.43 +/- 1.64  11.305% *  5.0265% (1.00   0.23   2.33) =   1.693%  kept
          QG2   THR   39 - HN    PHE   72   8.26 +/- 2.15  14.388% *  0.2836% (0.65   0.02   0.02) =   0.122%  kept
          HG3   LYS+  99 - HN    PHE   72  13.77 +/- 2.87   2.739% *  0.4383% (1.00   0.02   0.02) =   0.036%
          QB    ALA   91 - HN    PHE   72  16.17 +/- 2.13   1.475% *  0.2836% (0.65   0.02   0.02) =   0.012%
          QG2   ILE   56 - HN    PHE   72  13.03 +/- 2.10   3.027% *  0.0976% (0.22   0.02   0.02) =   0.009%
          HG3   LYS+  38 - HN    PHE   72  14.34 +/- 1.41   1.717% *  0.1645% (0.38   0.02   0.02) =   0.008%
          HG12  ILE   89 - HN    PHE   72  20.11 +/- 3.70   1.046% *  0.1802% (0.41   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    PHE   72  20.69 +/- 3.64   0.753% *  0.1495% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.30 A violated in 0 structures by 0.20 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 5.22, residual support = 20.5:
          QD2   LEU   71 - HN    PHE   72   3.82 +/- 0.32  37.735% * 89.9379% (0.97   5.49  20.08) =  93.518%  kept
          QD1   LEU   67 - HN    PHE   72   4.77 +/- 1.71  31.062% *  7.1110% (0.31   1.36  27.81) =   6.087%  kept
          HG3   LYS+  74 - HN    PHE   72   9.07 +/- 1.89   4.980% *  2.0514% (0.53   0.23   2.33) =   0.282%  kept
          QD2   LEU   40 - HN    PHE   72   6.02 +/- 1.52  17.900% *  0.0943% (0.28   0.02   0.02) =   0.047%
          QG2   ILE  119 - HN    PHE   72  11.71 +/- 2.86   4.803% *  0.3274% (0.97   0.02   0.24) =   0.043%
          QD1   ILE  103 - HN    PHE   72  11.74 +/- 2.01   1.855% *  0.3385% (1.00   0.02   0.02) =   0.017%
          QG2   ILE  103 - HN    PHE   72  11.74 +/- 1.84   1.666% *  0.1395% (0.41   0.02   0.02) =   0.006%
    Distance limit 3.94 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 = 0.746, support = 2.98, residual support = 41.9:
          HA    VAL   70 - HN    PHE   72   5.11 +/- 0.40  34.774% * 75.6898% (0.80   3.30  48.31) =  86.373%  kept
          HA    VAL   18 - HN    PHE   72   9.03 +/- 8.22  36.400% *  8.9993% (0.31   1.02   1.32) =  10.750%  kept
          HA    GLN  116 - HN    PHE   72  14.75 +/- 3.38   5.854% * 13.8967% (0.80   0.61   0.02) =   2.670%  kept
          HA    GLU-  29 - HN    PHE   72  14.19 +/- 3.52  10.169% *  0.1952% (0.34   0.02   0.02) =   0.065%
          HA1   GLY   16 - HN    PHE   72  12.75 +/- 8.31   6.239% *  0.3011% (0.53   0.02   0.02) =   0.062%
          HB2   SER   37 - HN    PHE   72  11.77 +/- 1.89   3.292% *  0.4965% (0.87   0.02   0.02) =   0.054%
          HA    LYS+  33 - HN    PHE   72  13.78 +/- 2.78   2.692% *  0.2786% (0.49   0.02   0.02) =   0.025%
          HB2   SER   82 - HN    PHE   72  21.11 +/- 2.87   0.580% *  0.1427% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.93 A violated in 0 structures by 0.13 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.22, residual support = 34.1:
          HB    VAL   70 - HN    LEU   71   4.20 +/- 0.24  66.892% * 97.9327% (0.98   6.24  34.22) =  99.744%  kept
          QG    GLN   17 - HN    LEU   71  11.49 +/- 5.53  10.348% *  1.3261% (1.00   0.08   0.02) =   0.209%  kept
          HB2   MET   96 - HN    LEU   71  10.90 +/- 2.47   8.397% *  0.2072% (0.65   0.02   0.02) =   0.026%
          HG2   GLU- 100 - HN    LEU   71  12.53 +/- 3.04   7.560% *  0.0713% (0.22   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    LEU   71  10.74 +/- 1.13   4.711% *  0.0891% (0.28   0.02   0.02) =   0.006%
          HB2   GLU-  25 - HN    LEU   71  18.56 +/- 2.38   0.928% *  0.3175% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.46 +/- 1.18   1.164% *  0.0561% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 6.34, residual support = 138.4:
      O   HB2   LEU   71 - HN    LEU   71   2.80 +/- 0.53  83.289% * 96.1797% (0.98  10.0   6.35 138.77) =  99.706%  kept
          HB    VAL   41 - HN    LEU   71   8.07 +/- 1.71   6.768% *  3.3918% (0.45   1.0   1.54   3.03) =   0.286%  kept
          QB    LYS+  65 - HN    LEU   71  11.19 +/- 0.75   1.711% *  0.0973% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU   71   9.91 +/- 0.75   2.403% *  0.0635% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LEU   71  12.90 +/- 5.87   2.785% *  0.0516% (0.53   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   71  13.88 +/- 2.70   1.152% *  0.0979% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  18.62 +/- 2.93   0.506% *  0.0880% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  12.74 +/- 2.60   1.385% *  0.0303% (0.31   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 5.78, residual support = 135.1:
          HG    LEU   71 - HN    LEU   71   3.44 +/- 0.60  58.525% * 84.1769% (0.99   5.92 138.77) =  97.345%  kept
          HG13  ILE   19 - HN    LEU   71  10.98 +/- 5.13   7.989% * 10.5483% (0.95   0.78   0.13) =   1.665%  kept
          QG2   THR   39 - HN    LEU   71   6.43 +/- 1.89  23.618% *  1.8582% (0.65   0.20   0.02) =   0.867%  kept
          HG2   LYS+  74 - HN    LEU   71  11.98 +/- 1.95   1.867% *  2.5569% (1.00   0.18   1.18) =   0.094%
          HG3   LYS+  99 - HN    LEU   71  11.49 +/- 3.35   3.112% *  0.2868% (1.00   0.02   0.02) =   0.018%
          HG3   LYS+  38 - HN    LEU   71  11.47 +/- 1.38   2.215% *  0.1077% (0.38   0.02   0.02) =   0.005%
          QB    ALA   91 - HN    LEU   71  18.34 +/- 2.32   0.774% *  0.1856% (0.65   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    LEU   71  14.71 +/- 2.05   1.035% *  0.0639% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  22.43 +/- 3.87   0.461% *  0.1179% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  21.87 +/- 3.58   0.405% *  0.0978% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.20 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.892, support = 5.96, residual support = 96.0:
          QD1   LEU   71 - HN    LEU   71   3.13 +/- 0.88  51.653% * 43.1262% (0.84   6.09 138.77) =  59.573%  kept
          QG1   VAL   70 - HN    LEU   71   4.18 +/- 0.30  29.494% * 49.4934% (0.98   5.96  34.22) =  39.038%  kept
          QG1   VAL   18 - HN    LEU   71  10.06 +/- 5.05   7.993% *  4.0984% (1.00   0.48   0.02) =   0.876%  kept
          HB3   LEU   63 - HN    LEU   71   8.42 +/- 1.88   6.167% *  3.0244% (0.69   0.52   0.02) =   0.499%  kept
          QD1   LEU  123 - HN    LEU   71  11.94 +/- 3.85   2.948% *  0.1416% (0.84   0.02   0.02) =   0.011%
          HB3   LEU  104 - HN    LEU   71  13.24 +/- 2.18   1.256% *  0.0825% (0.49   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    LEU   71  17.17 +/- 1.95   0.489% *  0.0335% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.35, residual support = 34.2:
          QG2   VAL   70 - HN    LEU   71   2.79 +/- 0.55 100.000% *100.0000% (0.73   6.35  34.22) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 79.4:
      O   HB    VAL   70 - HN    VAL   70   2.71 +/- 0.34  91.003% * 99.6297% (0.76  10.0   4.31  79.45) =  99.992%  kept
          QG    GLN   17 - HN    VAL   70  11.87 +/- 6.13   5.041% *  0.1089% (0.84   1.0   0.02   0.02) =   0.006%
          HB2   MET   96 - HN    VAL   70  12.43 +/- 2.22   2.024% *  0.0445% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    VAL   70  12.81 +/- 1.70   1.045% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  20.79 +/- 2.88   0.252% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  18.74 +/- 3.95   0.635% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.774, support = 0.739, residual support = 9.56:
          HB3   LEU   67 - HN    VAL   70   4.51 +/- 1.20  34.220% * 31.8898% (0.87   0.78   0.26) =  57.857%  kept
          HG    LEU   40 - HN    VAL   70   6.10 +/- 1.22  17.907% * 27.3294% (0.61   0.95  36.10) =  25.945%  kept
          HG    LEU   67 - HN    VAL   70   4.78 +/- 1.29  29.896% *  5.4739% (0.49   0.24   0.26) =   8.676%  kept
          QG    LYS+  66 - HN    VAL   70   7.99 +/- 0.84   7.225% * 12.6187% (0.98   0.27   0.02) =   4.833%  kept
          HG    LEU   73 - HN    VAL   70  11.76 +/- 1.45   2.395% * 19.1770% (0.99   0.41   0.87) =   2.435%  kept
          QB    ALA   61 - HN    VAL   70  10.53 +/- 1.10   3.133% *  0.6886% (0.73   0.02   0.02) =   0.114%  kept
          HG12  ILE   19 - HN    VAL   70  13.41 +/- 4.86   2.198% *  0.3899% (0.41   0.02   0.02) =   0.045%
          HB3   LEU  115 - HN    VAL   70  14.80 +/- 1.97   1.162% *  0.5752% (0.61   0.02   0.02) =   0.035%
          HG2   LYS+ 102 - HN    VAL   70  18.67 +/- 3.26   0.502% *  0.8971% (0.95   0.02   0.02) =   0.024%
          HG    LEU   80 - HN    VAL   70  20.16 +/- 3.91   0.711% *  0.4989% (0.53   0.02   0.02) =   0.019%
          QB    ALA  110 - HN    VAL   70  17.41 +/- 2.27   0.651% *  0.4616% (0.49   0.02   0.02) =   0.016%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.929, support = 4.7, residual support = 75.5:
          QG1   VAL   70 - HN    VAL   70   2.38 +/- 0.44  75.421% * 52.2297% (0.92   4.77  79.45) =  91.243%  kept
          QD1   LEU   71 - HN    VAL   70   6.04 +/- 1.30   7.994% * 47.0559% (1.00   3.97  34.22) =   8.713%  kept
          HB3   LEU   63 - HN    VAL   70   6.91 +/- 2.19  12.402% *  0.0809% (0.34   0.02   0.02) =   0.023%
          QG1   VAL   18 - HN    VAL   70  10.85 +/- 5.27   2.182% *  0.1981% (0.84   0.02   0.02) =   0.010%
          QD1   LEU  123 - HN    VAL   70  11.10 +/- 3.77   1.509% *  0.2372% (1.00   0.02   0.02) =   0.008%
          HB3   LEU  104 - HN    VAL   70  14.89 +/- 2.51   0.492% *  0.1981% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 79.4:
          QG2   VAL   70 - HN    VAL   70   3.75 +/- 0.12 100.000% *100.0000% (0.98   3.89  79.45) = 100.000%  kept
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.96, residual support = 59.1:
      O   HB2   ASN   69 - HD22  ASN   69   3.89 +/- 0.38  85.248% * 99.7633% (0.55  10.0   2.96  59.15) =  99.995%  kept
          QE    LYS+  33 - HD22  ASN   69  13.60 +/- 4.07   6.125% *  0.0227% (0.12   1.0   0.02   0.02) =   0.002%
          QE    LYS+  66 - HD22  ASN   69  11.44 +/- 2.32   5.933% *  0.0227% (0.12   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HD22  ASN   69  21.18 +/- 2.99   0.727% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.45 +/- 3.35   0.555% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  19.80 +/- 4.01   1.412% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.558, support = 3.13, residual support = 24.0:
          QG1   VAL   70 - HD22  ASN   69   4.75 +/- 1.25  47.644% * 92.4323% (0.56   3.27  25.17) =  95.482%  kept
          QD1   LEU   71 - HD22  ASN   69   6.96 +/- 2.40  34.444% *  5.8197% (0.53   0.22   0.02) =   4.346%  kept
          QD1   LEU  123 - HD22  ASN   69  12.00 +/- 4.80   7.320% *  0.5362% (0.53   0.02   0.02) =   0.085%
          HB3   LEU   63 - HD22  ASN   69  10.71 +/- 2.62   5.797% *  0.2982% (0.30   0.02   0.02) =   0.037%
          QG1   VAL   18 - HD22  ASN   69  13.52 +/- 4.38   2.756% *  0.5470% (0.54   0.02   0.02) =   0.033%
          HB3   LEU  104 - HD22  ASN   69  15.36 +/- 3.40   2.039% *  0.3667% (0.36   0.02   0.02) =   0.016%
    Distance limit 4.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   3.84 +/- 0.64 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.0:
          HD2   PRO   68 - HN    ASN   69   3.00 +/- 0.64  95.610% * 99.1831% (0.80   5.97  31.02) =  99.986%  kept
          HA    ALA   61 - HN    ASN   69  11.59 +/- 1.36   2.224% *  0.3926% (0.95   0.02   0.02) =   0.009%
          HD3   PRO   58 - HN    ASN   69  16.72 +/- 1.81   0.835% *  0.2685% (0.65   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ASN   69  14.49 +/- 2.47   1.332% *  0.1558% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.0:
          HD3   PRO   68 - HN    ASN   69   3.62 +/- 0.62  94.096% * 98.4637% (0.99   5.97  31.02) =  99.982%  kept
          HB2   PHE   59 - HN    ASN   69  14.15 +/- 2.24   2.746% *  0.2544% (0.76   0.02   0.02) =   0.008%
          HB3   CYS   53 - HN    ASN   69  18.63 +/- 2.62   0.974% *  0.3213% (0.97   0.02   0.02) =   0.003%
          QB    PHE   55 - HN    ASN   69  19.18 +/- 2.41   0.841% *  0.3213% (0.97   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    ASN   69  21.40 +/- 3.09   0.666% *  0.3321% (1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    ASN   69  22.08 +/- 3.55   0.676% *  0.3073% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.706, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.65 +/- 1.01  35.259% * 39.8620% (0.87   0.02   0.02) =  55.046%  kept
          HA    ALA   64 - HN    ASN   69   7.03 +/- 1.19  57.517% * 14.1837% (0.31   0.02   0.02) =  31.951%  kept
          HB3   ASN   35 - HN    ASN   69  16.16 +/- 3.42   7.224% * 45.9543% (1.00   0.02   0.02) =  13.002%  kept
    Distance limit 3.98 A violated in 18 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.156, support = 3.82, residual support = 25.0:
          HB    VAL   70 - HN    ASN   69   4.41 +/- 0.45  69.182% * 89.1780% (0.15   3.84  25.17) =  99.444%  kept
          HB2   LYS+  38 - HN    ASN   69  13.41 +/- 2.21   2.913% *  2.9829% (0.99   0.02   0.02) =   0.140%  kept
          HG3   GLU-  29 - HN    ASN   69  20.08 +/- 4.58   3.195% *  2.4098% (0.80   0.02   0.02) =   0.124%  kept
          QG    GLN   17 - HN    ASN   69  12.45 +/- 6.15  11.828% *  0.5956% (0.20   0.02   0.02) =   0.114%  kept
          HB3   GLU-  29 - HN    ASN   69  18.60 +/- 4.41   4.537% *  1.2372% (0.41   0.02   0.02) =   0.090%
          QB    GLU-  36 - HN    ASN   69  14.14 +/- 3.72   5.710% *  0.5271% (0.18   0.02   0.02) =   0.049%
          HB2   GLN   90 - HN    ASN   69  27.43 +/- 4.09   0.727% *  1.8254% (0.61   0.02   0.02) =   0.021%
          HB2   GLU-  25 - HN    ASN   69  22.20 +/- 3.64   0.816% *  0.8368% (0.28   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HN    ASN   69  20.34 +/- 3.55   1.091% *  0.4073% (0.14   0.02   0.02) =   0.007%
    Distance limit 4.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.948, support = 6.03, residual support = 31.0:
      O   HB3   PRO   68 - HN    ASN   69   3.87 +/- 0.79  35.343% * 95.4505% (0.99  10.0   6.03  31.02) =  94.931%  kept
          HG2   PRO   68 - HN    ASN   69   3.50 +/- 1.15  45.555% *  3.9290% (0.14   1.0   6.03  31.02) =   5.037%  kept
          QB    GLU-  15 - HN    ASN   69  13.26 +/- 6.31   5.534% *  0.0699% (0.73   1.0   0.02   0.02) =   0.011%
          HB2   GLN   17 - HN    ASN   69  14.23 +/- 6.49   3.172% *  0.0699% (0.73   1.0   0.02   0.02) =   0.006%
          HB2   GLN   30 - HN    ASN   69  13.88 +/- 3.15   3.174% *  0.0545% (0.57   1.0   0.02   0.02) =   0.005%
          HG3   GLN   30 - HN    ASN   69  15.40 +/- 3.28   1.908% *  0.0835% (0.87   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    ASN   69  14.48 +/- 3.87   1.353% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ASN   69  17.20 +/- 3.30   0.777% *  0.0623% (0.65   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASN   69  15.06 +/- 3.72   1.338% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  22.33 +/- 2.72   0.258% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ASN   69  22.62 +/- 3.52   0.375% *  0.0507% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  21.66 +/- 3.82   0.406% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.24 +/- 2.23   0.504% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.11 +/- 2.54   0.303% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.374, support = 5.48, residual support = 30.9:
          HG3   PRO   68 - HN    ASN   69   3.80 +/- 0.58  75.077% * 92.7611% (0.38   5.49  31.02) =  99.783%  kept
          QB    LYS+  33 - HN    ASN   69  13.88 +/- 4.19  10.070% *  0.5458% (0.61   0.02   0.02) =   0.079%
          HB3   LYS+  38 - HN    ASN   69  12.62 +/- 2.37   3.874% *  0.8512% (0.95   0.02   0.02) =   0.047%
          HB3   GLN   30 - HN    ASN   69  14.66 +/- 2.92   2.258% *  0.7206% (0.80   0.02   0.02) =   0.023%
          HB    ILE   56 - HN    ASN   69  17.95 +/- 3.19   0.959% *  0.8979% (1.00   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HN    ASN   69  17.02 +/- 2.22   1.101% *  0.7206% (0.80   0.02   0.02) =   0.011%
          HB3   ASP- 105 - HN    ASN   69  15.80 +/- 2.78   1.530% *  0.4380% (0.49   0.02   0.02) =   0.010%
          HB    ILE  103 - HN    ASN   69  17.82 +/- 3.51   1.525% *  0.3700% (0.41   0.02   0.02) =   0.008%
          QB    LYS+  81 - HN    ASN   69  22.93 +/- 3.89   0.748% *  0.6877% (0.76   0.02   0.02) =   0.007%
          HB3   PRO   58 - HN    ASN   69  16.01 +/- 1.76   1.247% *  0.4034% (0.45   0.02   0.02) =   0.007%
          HB3   GLN   90 - HN    ASN   69  27.17 +/- 3.96   0.510% *  0.6181% (0.69   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    ASN   69  23.13 +/- 2.97   0.496% *  0.5821% (0.65   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    ASN   69  21.14 +/- 3.65   0.605% *  0.4034% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.08 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.72, support = 4.33, residual support = 24.6:
          QG1   VAL   70 - HN    ASN   69   3.07 +/- 0.62  70.814% * 84.5831% (0.73   4.41  25.17) =  97.650%  kept
          QD1   LEU   71 - HN    ASN   69   7.33 +/- 1.62   9.808% * 13.8485% (0.49   1.08   0.02) =   2.214%  kept
          HB3   LEU   63 - HN    ASN   69   7.92 +/- 2.39  11.614% *  0.5093% (0.97   0.02   0.02) =   0.096%
          QG1   VAL   18 - HN    ASN   69  11.98 +/- 4.96   2.994% *  0.4408% (0.84   0.02   0.02) =   0.022%
          QD1   LEU  123 - HN    ASN   69  11.18 +/- 4.26   3.303% *  0.2569% (0.49   0.02   0.02) =   0.014%
          HB3   LEU  104 - HN    ASN   69  16.25 +/- 2.98   1.077% *  0.1044% (0.20   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    ASN   69  19.05 +/- 2.23   0.390% *  0.2569% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 3.92, residual support = 18.9:
          HD2   PRO   68 - HN    LEU   67   3.74 +/- 0.84  60.066% * 96.1906% (1.00   3.93  18.85) =  98.921%  kept
          HA    VAL   24 - HE3   TRP   27   5.82 +/- 0.25  19.443% *  2.8781% (0.04   2.74  23.22) =   0.958%  kept
          HA    ALA   61 - HN    LEU   67   6.96 +/- 0.72  13.492% *  0.4729% (0.97   0.02   0.02) =   0.109%  kept
          HD3   PRO   58 - HN    LEU   67  12.66 +/- 1.10   1.931% *  0.1513% (0.31   0.02   0.02) =   0.005%
          HA    VAL   24 - HN    LEU   67  17.67 +/- 3.92   1.002% *  0.1672% (0.34   0.02   0.02) =   0.003%
          HD2   PRO   68 - HE3   TRP   27  14.59 +/- 3.05   1.869% *  0.0615% (0.13   0.02   0.02) =   0.002%
          HA    ALA   61 - HE3   TRP   27  14.63 +/- 2.89   1.673% *  0.0595% (0.12   0.02   0.02) =   0.002%
          HD3   PRO   58 - HE3   TRP   27  19.37 +/- 2.42   0.524% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 4.21, residual support = 18.8:
          HD3   PRO   68 - HN    LEU   67   3.34 +/- 1.05  84.529% * 97.3372% (0.76   4.21  18.85) =  99.952%  kept
          HB2   PHE   59 - HN    LEU   67  10.90 +/- 1.55   4.681% *  0.2487% (0.41   0.02   0.02) =   0.014%
          HB3   CYS   53 - HN    LEU   67  14.83 +/- 2.23   1.550% *  0.5722% (0.95   0.02   0.02) =   0.011%
          HD3   PRO   93 - HN    LEU   67  18.21 +/- 2.47   1.215% *  0.4844% (0.80   0.02   0.02) =   0.007%
          QB    PHE   55 - HN    LEU   67  15.78 +/- 1.60   1.257% *  0.4155% (0.69   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HN    LEU   67  17.80 +/- 2.93   0.775% *  0.5930% (0.98   0.02   0.02) =   0.006%
          HD3   PRO   93 - HE3   TRP   27  19.04 +/- 4.13   1.748% *  0.0609% (0.10   0.02   0.02) =   0.001%
          HD3   PRO   68 - HE3   TRP   27  15.14 +/- 2.82   1.508% *  0.0581% (0.10   0.02   0.02) =   0.001%
          HB3   CYS   53 - HE3   TRP   27  19.80 +/- 2.86   0.762% *  0.0719% (0.12   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  17.09 +/- 2.99   1.017% *  0.0313% (0.05   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  20.79 +/- 2.26   0.576% *  0.0522% (0.09   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  24.34 +/- 2.91   0.381% *  0.0745% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 2.82, residual support = 8.42:
          HA    ALA   64 - HN    LEU   67   3.43 +/- 0.57  73.946% * 21.9485% (0.65   1.08   3.30) =  51.465%  kept
          QE    LYS+  66 - HN    LEU   67   5.89 +/- 0.57  19.776% * 77.3656% (0.53   4.66  13.85) =  48.516%  kept
          HB3   ASN   35 - HN    LEU   67  19.20 +/- 2.70   0.493% *  0.5267% (0.84   0.02   0.02) =   0.008%
          HA    ALA   64 - HE3   TRP   27  11.58 +/- 2.79   2.758% *  0.0513% (0.08   0.02   0.02) =   0.004%
          HB3   ASN   35 - HE3   TRP   27  11.98 +/- 0.90   2.112% *  0.0662% (0.10   0.02   0.02) =   0.004%
          QE    LYS+  66 - HE3   TRP   27  17.06 +/- 3.01   0.916% *  0.0417% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.609, support = 4.95, residual support = 56.9:
      O   HB2   LEU   67 - HN    LEU   67   3.08 +/- 0.56  53.341% * 82.3494% (0.61  10.0   5.02  59.16) =  94.463%  kept
          HG2   PRO   68 - HN    LEU   67   5.56 +/- 0.93  15.035% * 17.0702% (0.65   1.0   3.89  18.85) =   5.519%  kept
          HB    VAL   18 - HN    LEU   67  12.41 +/- 8.09   6.365% *  0.0463% (0.34   1.0   0.02   0.02) =   0.006%
          HB    ILE   19 - HE3   TRP   27   6.64 +/- 2.29  12.348% *  0.0097% (0.07   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU   67  13.39 +/- 1.09   0.869% *  0.1310% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    LEU   67  14.30 +/- 1.88   0.731% *  0.1284% (0.95   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    LEU   67  14.46 +/- 4.49   0.894% *  0.0769% (0.57   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LEU   67  16.58 +/- 1.70   0.425% *  0.0661% (0.49   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HE3   TRP   27  10.53 +/- 3.37   4.012% *  0.0058% (0.04   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    LEU   67  17.16 +/- 3.36   0.762% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  15.78 +/- 3.26   1.098% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  13.22 +/- 2.80   1.011% *  0.0104% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  22.16 +/- 3.98   0.251% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  18.15 +/- 2.86   0.414% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.46 +/- 0.20   1.600% *  0.0034% (0.02   1.0   0.02   0.63) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.88 +/- 2.90   0.266% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.54 +/- 2.97   0.379% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  23.37 +/- 3.23   0.201% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.929, support = 4.57, residual support = 12.6:
          QB    LYS+  66 - HN    LEU   67   3.02 +/- 0.39  55.032% * 75.2285% (0.95   4.85  13.85) =  90.847%  kept
          QB    LYS+  65 - HN    LEU   67   4.70 +/- 0.39  18.174% * 22.8525% (0.76   1.82   0.14) =   9.114%  kept
          HB2   LEU   71 - HN    LEU   67  10.27 +/- 1.01   1.566% *  0.2382% (0.73   0.02   0.02) =   0.008%
          HB    VAL   41 - HE3   TRP   27   9.50 +/- 3.35   5.717% *  0.0330% (0.10   0.02   0.02) =   0.004%
          HB    VAL   41 - HN    LEU   67  13.69 +/- 1.54   0.715% *  0.2627% (0.80   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    LEU   67  13.33 +/- 3.70   1.302% *  0.1231% (0.38   0.02   0.02) =   0.004%
          HB3   GLN   17 - HN    LEU   67  13.69 +/- 7.25   2.189% *  0.0730% (0.22   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    LEU   67  16.76 +/- 2.41   0.413% *  0.3251% (0.99   0.02   0.02) =   0.003%
          HB2   LEU   71 - HE3   TRP   27   9.74 +/- 1.85   4.274% *  0.0299% (0.09   0.02   0.02) =   0.003%
          HG2   PRO   93 - HE3   TRP   27  18.33 +/- 3.85   2.675% *  0.0409% (0.12   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   67  19.03 +/- 2.92   0.341% *  0.2845% (0.87   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU   67  17.67 +/- 2.85   0.422% *  0.2122% (0.65   0.02   0.02) =   0.002%
          QB    LYS+  66 - HE3   TRP   27  14.78 +/- 2.81   0.851% *  0.0390% (0.12   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  19.49 +/- 2.14   0.226% *  0.1231% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  14.74 +/- 3.21   0.774% *  0.0358% (0.11   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  13.73 +/- 3.24   1.017% *  0.0267% (0.08   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  14.16 +/- 2.76   0.785% *  0.0315% (0.10   0.02   0.02) =   0.001%
          HG    LEU  123 - HE3   TRP   27  19.18 +/- 5.86   1.378% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  12.18 +/- 2.86   2.016% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  23.63 +/- 3.00   0.132% *  0.0155% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.478, support = 4.91, residual support = 53.3:
      O   HB3   LEU   67 - HN    LEU   67   3.12 +/- 0.57  32.378% * 37.1266% (0.25  10.0   4.35  59.16) =  58.624%  kept
          HG    LEU   67 - HN    LEU   67   4.22 +/- 0.63  12.963% * 44.6301% (1.00   1.0   6.01  59.16) =  28.215%  kept
          QG    LYS+  66 - HN    LEU   67   4.04 +/- 0.58  15.193% * 16.4090% (0.41   1.0   5.36  13.85) =  12.159%  kept
          HG    LEU   73 - HE3   TRP   27   6.12 +/- 4.85  21.401% *  0.9277% (0.08   1.0   1.63  21.83) =   0.968%  kept
          HG    LEU   40 - HN    LEU   67  10.24 +/- 0.91   1.022% *  0.1476% (0.99   1.0   0.02   0.02) =   0.007%
          QB    ALA  120 - HN    LEU   67  12.90 +/- 2.69   0.816% *  0.1023% (0.69   1.0   0.02   0.02) =   0.004%
          HG    LEU   40 - HE3   TRP   27   9.86 +/- 2.51   4.034% *  0.0186% (0.12   1.0   0.02   0.02) =   0.004%
          HB3   LEU   40 - HN    LEU   67  10.44 +/- 1.09   1.016% *  0.0668% (0.45   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    LEU   67   7.16 +/- 0.61   2.864% *  0.0230% (0.15   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LEU   67  12.42 +/- 1.31   0.728% *  0.0903% (0.61   1.0   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    LEU   67  13.58 +/- 1.77   0.405% *  0.1476% (0.99   1.0   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    LEU   67  13.24 +/- 2.31   0.507% *  0.1023% (0.69   1.0   0.02   0.02) =   0.003%
          HB3   LEU   40 - HE3   TRP   27  10.00 +/- 2.32   2.691% *  0.0084% (0.06   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   67  22.46 +/- 3.07   0.104% *  0.1081% (0.73   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HE3   TRP   27  13.79 +/- 2.66   0.561% *  0.0187% (0.13   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HE3   TRP   27  16.63 +/- 3.86   0.525% *  0.0129% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  17.41 +/- 2.66   0.359% *  0.0186% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  17.86 +/- 3.32   0.506% *  0.0129% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.19 +/- 3.53   0.378% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  15.66 +/- 3.07   0.492% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  13.27 +/- 2.95   0.585% *  0.0047% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.81 +/- 2.24   0.473% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.311, support = 4.09, residual support = 58.6:
          QD1   LEU   67 - HN    LEU   67   3.67 +/- 0.69  43.319% * 89.6987% (0.31   4.12  59.16) =  99.101%  kept
          QD2   LEU   71 - HN    LEU   67   8.24 +/- 1.53   7.590% *  1.3599% (0.97   0.02   0.02) =   0.263%  kept
          HG3   LYS+  74 - HE3   TRP   27  11.55 +/- 2.58   1.992% *  3.7678% (0.07   0.81   0.02) =   0.191%  kept
          QG2   ILE  119 - HN    LEU   67   9.56 +/- 2.35   4.340% *  1.3599% (0.97   0.02   0.02) =   0.151%  kept
          HG3   LYS+  74 - HN    LEU   67  10.33 +/- 3.32   5.917% *  0.7414% (0.53   0.02   0.02) =   0.112%  kept
          QD2   LEU   71 - HE3   TRP   27   8.42 +/- 1.98  11.791% *  0.1709% (0.12   0.02   0.02) =   0.051%
          QD1   ILE  103 - HN    LEU   67  15.17 +/- 2.09   0.961% *  1.4060% (1.00   0.02   0.02) =   0.034%
          QD2   LEU   40 - HN    LEU   67   9.42 +/- 0.96   3.278% *  0.3918% (0.28   0.02   0.02) =   0.033%
          QG2   ILE  119 - HE3   TRP   27  14.89 +/- 3.86   4.123% *  0.1709% (0.12   0.02   0.02) =   0.018%
          QG2   ILE  103 - HN    LEU   67  14.96 +/- 2.34   1.031% *  0.5793% (0.41   0.02   0.02) =   0.015%
          QD1   ILE  103 - HE3   TRP   27  11.82 +/- 2.59   2.449% *  0.1767% (0.13   0.02   0.02) =   0.011%
          QD2   LEU   40 - HE3   TRP   27   8.46 +/- 1.98   7.124% *  0.0492% (0.03   0.02   0.02) =   0.009%
          QG2   ILE  103 - HE3   TRP   27  11.96 +/- 2.98   2.908% *  0.0728% (0.05   0.02   0.02) =   0.005%
          QD1   LEU   67 - HE3   TRP   27  10.58 +/- 2.33   3.176% *  0.0547% (0.04   0.02   0.02) =   0.004%
    Distance limit 4.10 A violated in 0 structures by 0.05 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.06, residual support = 30.2:
      O   HA    LYS+  65 - HN    LYS+  66   3.59 +/- 0.04  82.609% * 98.9277% (0.61  10.0   6.07  30.19) =  99.970%  kept
          QB    SER   48 - HN    LYS+  66  16.19 +/- 5.41   6.271% *  0.1617% (0.99   1.0   0.02   0.02) =   0.012%
          HA2   GLY   16 - HN    LYS+  66  15.60 +/- 7.91   3.591% *  0.1120% (0.69   1.0   0.02   0.02) =   0.005%
          HA    ALA  120 - HN    LYS+  66  13.87 +/- 3.15   2.282% *  0.1574% (0.97   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 121 - HN    LYS+  66  15.66 +/- 3.04   1.477% *  0.1463% (0.90   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  66  16.75 +/- 2.24   0.979% *  0.1543% (0.95   1.0   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    LYS+  66  18.23 +/- 3.13   0.898% *  0.1362% (0.84   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    LYS+  66  15.34 +/- 1.74   1.177% *  0.0923% (0.57   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  66  23.55 +/- 4.51   0.718% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.14, residual support = 6.18:
          HA    LEU   63 - HN    LYS+  66   3.79 +/- 0.67  97.058% * 98.9419% (0.99   2.14   6.18) =  99.982%  kept
          HB2   HIS   22 - HN    LYS+  66  19.49 +/- 4.45   2.335% *  0.6403% (0.69   0.02   0.02) =   0.016%
          HA2   GLY  101 - HN    LYS+  66  23.23 +/- 2.66   0.607% *  0.4179% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.13 A violated in 0 structures by 0.12 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.816, support = 4.49, residual support = 27.9:
          HA    ALA   64 - HN    LYS+  66   4.26 +/- 0.51  55.032% * 75.7350% (0.95   4.25   8.14) =  82.079%  kept
          QE    LYS+  66 - HN    LYS+  66   4.96 +/- 0.53  38.440% * 23.5942% (0.22   5.62 118.89) =  17.861%  kept
          HB2   PHE   72 - HN    LYS+  66   9.49 +/- 1.41   5.960% *  0.4872% (0.22   0.12   0.19) =   0.057%
          HB3   ASN   35 - HN    LYS+  66  20.73 +/- 2.78   0.568% *  0.1835% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.713, support = 5.43, residual support = 101.8:
      O   QB    LYS+  66 - HN    LYS+  66   2.29 +/- 0.17  64.436% * 67.9935% (0.65  10.0   5.27 118.89) =  80.704%  kept
          QB    LYS+  65 - HN    LYS+  66   3.00 +/- 0.40  33.177% * 31.5695% (0.99   1.0   6.06  30.19) =  19.293%  kept
          HB3   GLN   17 - HN    LYS+  66  14.21 +/- 7.25   1.139% *  0.0553% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+  66  11.95 +/- 1.28   0.525% *  0.1030% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  16.42 +/- 2.31   0.229% *  0.0943% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  20.44 +/- 2.72   0.115% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.31 +/- 1.35   0.235% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.09 +/- 2.72   0.144% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.484, support = 4.01, residual support = 70.0:
          QG    LYS+  66 - HN    LYS+  66   3.18 +/- 0.59  70.191% * 20.7580% (0.15   4.78 118.89) =  53.510%  kept
          HG    LEU   67 - HN    LYS+  66   6.00 +/- 0.84  16.516% * 76.3668% (0.87   3.13  13.85) =  46.321%  kept
          HG    LEU  115 - HN    LYS+  66  12.89 +/- 2.27   1.862% *  0.5429% (0.97   0.02   0.02) =   0.037%
          QB    ALA  120 - HN    LYS+  66  12.86 +/- 2.48   1.491% *  0.5429% (0.97   0.02   0.02) =   0.030%
          HB3   LEU   40 - HN    LYS+  66  12.26 +/- 1.03   1.675% *  0.4505% (0.80   0.02   0.02) =   0.028%
          HG    LEU   40 - HN    LYS+  66  11.98 +/- 0.77   1.669% *  0.4299% (0.76   0.02   0.02) =   0.026%
          HB3   LEU  115 - HN    LYS+  66  13.39 +/- 1.95   1.542% *  0.4299% (0.76   0.02   0.02) =   0.024%
          HB2   LYS+  74 - HN    LYS+  66  10.79 +/- 2.51   3.372% *  0.1113% (0.20   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    LYS+  66  13.08 +/- 1.61   1.451% *  0.1564% (0.28   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    LYS+  66  24.08 +/- 2.80   0.230% *  0.2111% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.63, residual support = 8.14:
          QB    ALA   64 - HN    LYS+  66   4.54 +/- 0.22 100.000% *100.0000% (0.95   3.63   8.14) = 100.000%  kept
    Distance limit 4.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 159.1:
      O   HA    LYS+  65 - HN    LYS+  65   2.79 +/- 0.07  89.033% * 99.3218% (0.64  10.0   6.08 159.15) =  99.991%  kept
          QB    SER   48 - HN    LYS+  65  14.64 +/- 5.36   4.392% *  0.0822% (0.53   1.0   0.02   0.02) =   0.004%
          HA2   GLY   16 - HN    LYS+  65  16.01 +/- 7.37   1.514% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  65  14.24 +/- 1.95   0.832% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LYS+  65  15.17 +/- 2.35   0.769% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  65  22.16 +/- 4.53   0.476% *  0.1038% (0.67   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  15.95 +/- 1.79   0.548% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  16.72 +/- 3.10   0.609% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  16.25 +/- 2.57   0.602% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.95 +/- 1.13   0.629% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.97 +/- 3.20   0.334% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  24.47 +/- 4.17   0.262% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.65, support = 4.89, residual support = 29.3:
      O   HA    ALA   64 - HN    LYS+  65   3.54 +/- 0.09  78.545% * 95.3674% (0.65  10.0   4.90  29.28) =  99.232%  kept
          QE    LYS+  66 - HN    LYS+  65   6.93 +/- 0.81  12.670% *  4.5611% (0.15   1.0   4.06  30.19) =   0.766%  kept
          HB2   PHE   72 - HN    LYS+  65   8.35 +/- 1.39   8.307% *  0.0224% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  20.75 +/- 2.66   0.478% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.64, residual support = 155.0:
      O   QB    LYS+  65 - HN    LYS+  65   2.18 +/- 0.16  85.774% * 78.0031% (0.53  10.0   6.71 159.15) =  96.821%  kept
          QB    LYS+  66 - HN    LYS+  65   4.62 +/- 0.29  10.214% * 21.4860% (0.65   1.0   4.45  30.19) =   3.176%  kept
          HB2   LEU   71 - HN    LYS+  65  11.81 +/- 1.29   0.649% *  0.0741% (0.50   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  65  14.70 +/- 2.31   0.423% *  0.1012% (0.68   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  13.95 +/- 7.04   1.618% *  0.0227% (0.15   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  14.90 +/- 1.12   0.291% *  0.0817% (0.55   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  13.74 +/- 2.50   0.502% *  0.0383% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  20.25 +/- 2.26   0.130% *  0.0885% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.59 +/- 2.30   0.173% *  0.0660% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.14 +/- 2.29   0.225% *  0.0383% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.155, support = 4.91, residual support = 145.8:
          HG2   LYS+  65 - HN    LYS+  65   3.64 +/- 0.53  63.364% * 62.8180% (0.14   5.28 159.15) =  91.590%  kept
          HG    LEU   67 - HN    LYS+  65   6.98 +/- 0.85  11.006% * 31.6455% (0.36   1.00   0.14) =   8.015%  kept
          HB2   LYS+  74 - HN    LYS+  65   9.17 +/- 2.30   8.052% *  0.5855% (0.34   0.02   0.02) =   0.108%  kept
          HG    LEU  115 - HN    LYS+  65  12.02 +/- 1.94   3.592% *  1.1380% (0.65   0.02   0.02) =   0.094%
          HB3   LEU   40 - HN    LYS+  65  12.37 +/- 1.03   2.022% *  1.2003% (0.69   0.02   0.02) =   0.056%
          QB    ALA  120 - HN    LYS+  65  13.03 +/- 1.55   1.669% *  1.1380% (0.65   0.02   0.02) =   0.044%
          HB3   LEU  115 - HN    LYS+  65  12.38 +/- 1.56   3.412% *  0.4946% (0.28   0.02   0.02) =   0.039%
          HG    LEU   40 - HN    LYS+  65  12.06 +/- 1.06   2.303% *  0.4946% (0.28   0.02   0.02) =   0.026%
          QG2   THR   26 - HN    LYS+  65  14.45 +/- 3.51   3.463% *  0.3000% (0.17   0.02   0.02) =   0.024%
          HD2   LYS+ 121 - HN    LYS+  65  15.29 +/- 1.83   1.118% *  0.1856% (0.11   0.02   0.02) =   0.005%
    Distance limit 3.85 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 = 0.28, support = 4.2, residual support = 107.4:
          HG3   LYS+  65 - HN    LYS+  65   3.40 +/- 0.79  52.094% * 43.3761% (0.17   5.25 159.15) =  66.816%  kept
          HB2   LEU   63 - HN    LYS+  65   4.96 +/- 0.48  21.748% * 51.0528% (0.50   2.12   3.36) =  32.831%  kept
          HB3   ASP-  44 - HN    LYS+  65   9.44 +/- 2.39   6.248% *  0.5539% (0.58   0.02   0.02) =   0.102%  kept
          QB    ALA   84 - HN    LYS+  65  17.18 +/- 3.86   4.704% *  0.6617% (0.69   0.02   0.02) =   0.092%
          HB3   PRO   93 - HN    LYS+  65  12.97 +/- 2.29   2.918% *  0.6573% (0.68   0.02   0.02) =   0.057%
          QB    ALA  124 - HN    LYS+  65  15.36 +/- 2.43   0.913% *  0.6273% (0.65   0.02   0.02) =   0.017%
          HG    LEU   98 - HN    LYS+  65  17.32 +/- 2.02   0.730% *  0.6573% (0.68   0.02   0.02) =   0.014%
          HB3   LEU   73 - HN    LYS+  65  11.08 +/- 1.32   2.184% *  0.2047% (0.21   0.02   0.02) =   0.013%
          HB    VAL   42 - HN    LYS+  65  10.11 +/- 1.02   2.661% *  0.1654% (0.17   0.02   0.02) =   0.013%
          HB2   LYS+ 112 - HN    LYS+  65  15.07 +/- 2.36   1.455% *  0.2726% (0.28   0.02   0.02) =   0.012%
          HB3   LEU   80 - HN    LYS+  65  19.04 +/- 3.94   0.783% *  0.4022% (0.42   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    LYS+  65  17.43 +/- 3.33   0.835% *  0.2973% (0.31   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HN    LYS+  65  18.11 +/- 2.67   0.631% *  0.3489% (0.36   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HN    LYS+  65  18.96 +/- 1.72   0.481% *  0.2489% (0.26   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+  65  17.71 +/- 3.36   0.841% *  0.1312% (0.14   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    LYS+  65  19.50 +/- 3.02   0.546% *  0.1161% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+  65  23.60 +/- 2.68   0.230% *  0.2262% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.87, residual support = 29.3:
          QB    ALA   64 - HN    LYS+  65   2.84 +/- 0.29 100.000% *100.0000% (0.65   4.87  29.28) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.744, residual support = 6.55:
          HA    ALA   61 - HN    ALA   64   3.87 +/- 0.50  69.352% * 95.1123% (0.95   0.75   6.60) =  99.167%  kept
          HD2   PRO   68 - HN    ALA   64   7.13 +/- 1.39  18.018% *  2.1470% (0.80   0.02   0.02) =   0.582%  kept
          HD3   PRO   58 - HN    ALA   64   9.62 +/- 0.83   5.469% *  1.7345% (0.65   0.02   0.02) =   0.143%  kept
          HA    VAL   75 - HN    ALA   64  10.04 +/- 1.56   7.161% *  1.0063% (0.38   0.02   0.02) =   0.108%  kept
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.21, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.80 +/- 0.08  84.130% * 99.0515% (0.95  10.0   4.22  20.69) =  99.882%  kept
          HB2   PHE   72 - HN    ALA   64   6.64 +/- 1.57  11.118% *  0.8742% (0.22   1.0   0.75  46.86) =   0.116%  kept
          QE    LYS+  66 - HN    ALA   64   8.13 +/- 1.05   4.454% *  0.0233% (0.22   1.0   0.02   8.14) =   0.001%
          HB3   ASN   35 - HN    ALA   64  19.66 +/- 2.32   0.299% *  0.0510% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.872, support = 5.08, residual support = 27.4:
          QB    LYS+  65 - HN    ALA   64   4.41 +/- 0.24  52.700% * 84.0799% (0.92   5.33  29.28) =  91.303%  kept
          QB    LYS+  66 - HN    ALA   64   5.55 +/- 0.63  28.597% * 14.6240% (0.34   2.51   8.14) =   8.617%  kept
          HB2   LEU   71 - HN    ALA   64  10.62 +/- 1.01   4.319% *  0.3232% (0.95   0.02   0.02) =   0.029%
          HB3   GLN   17 - HN    ALA   64  13.98 +/- 6.10   4.208% *  0.2853% (0.84   0.02   0.85) =   0.025%
          HG2   PRO   93 - HN    ALA   64  13.37 +/- 2.11   3.053% *  0.2072% (0.61   0.02   0.02) =   0.013%
          QB    LYS+ 102 - HN    ALA   64  18.48 +/- 2.14   0.841% *  0.2853% (0.84   0.02   0.02) =   0.005%
          QD    LYS+  81 - HN    ALA   64  19.55 +/- 4.50   2.577% *  0.0598% (0.18   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    ALA   64  13.10 +/- 1.00   2.143% *  0.0676% (0.20   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    ALA   64  15.85 +/- 2.61   1.563% *  0.0676% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.706, support = 7.41, residual support = 53.7:
          HB2   LEU   63 - HN    ALA   64   2.93 +/- 0.46  62.060% * 82.5628% (0.73   7.56  54.84) =  95.834%  kept
          HG3   LYS+  65 - HN    ALA   64   5.70 +/- 1.02  14.628% * 14.9111% (0.25   3.98  29.28) =   4.079%  kept
          HB3   ASP-  44 - HN    ALA   64   7.70 +/- 2.67   9.141% *  0.2512% (0.84   0.02   0.02) =   0.043%
          QB    ALA   84 - HN    ALA   64  16.36 +/- 3.23   1.844% *  0.3000% (1.00   0.02   0.02) =   0.010%
          HB3   PRO   93 - HN    ALA   64  11.50 +/- 2.15   1.745% *  0.2980% (0.99   0.02   0.02) =   0.010%
          HB    VAL   42 - HN    ALA   64   8.25 +/- 0.80   3.363% *  0.0750% (0.25   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    ALA   64   9.89 +/- 1.48   2.278% *  0.0928% (0.31   0.02   4.20) =   0.004%
          QB    ALA  124 - HN    ALA   64  14.72 +/- 2.31   0.682% *  0.2844% (0.95   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    ALA   64  15.40 +/- 1.74   0.581% *  0.2980% (0.99   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    ALA   64  13.95 +/- 2.29   0.717% *  0.1236% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   64  15.85 +/- 2.76   0.556% *  0.1582% (0.53   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  16.08 +/- 3.05   0.595% *  0.1348% (0.45   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ALA   64  18.15 +/- 3.53   0.405% *  0.1824% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   64  17.38 +/- 1.65   0.350% *  0.1129% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  16.74 +/- 2.88   0.502% *  0.0595% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  17.82 +/- 2.63   0.373% *  0.0527% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.65 +/- 2.56   0.179% *  0.1026% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 6.7, residual support = 54.6:
          HG    LEU   63 - HN    ALA   64   4.07 +/- 1.21  59.692% * 97.7897% (0.53   6.73  54.84) =  99.502%  kept
          QD1   ILE  119 - HN    ALA   64   7.07 +/- 1.82  27.189% *  0.9108% (0.20   0.17   0.02) =   0.422%  kept
          HG3   LYS+ 112 - HN    ALA   64  13.24 +/- 2.47   4.485% *  0.5098% (0.92   0.02   0.02) =   0.039%
          QG2   VAL   24 - HN    ALA   64  14.47 +/- 3.12   4.054% *  0.2073% (0.38   0.02   0.02) =   0.014%
          QG2   VAL  108 - HN    ALA   64  14.57 +/- 1.96   2.337% *  0.3349% (0.61   0.02   0.02) =   0.013%
          HB2   LEU  104 - HN    ALA   64  15.78 +/- 2.56   2.243% *  0.2476% (0.45   0.02   0.02) =   0.009%
    Distance limit 4.74 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 = 0.964, support = 6.73, residual support = 54.8:
          HB3   LEU   63 - HN    ALA   64   3.31 +/- 0.48  60.243% * 99.3328% (0.97   6.74  54.84) =  99.912%  kept
          QG1   VAL   18 - HN    ALA   64   9.33 +/- 6.07  15.133% *  0.1608% (0.53   0.02   7.55) =   0.041%
          QG1   VAL   70 - HN    ALA   64   5.98 +/- 1.19  18.132% *  0.1256% (0.41   0.02   0.02) =   0.038%
          QD1   LEU  123 - HN    ALA   64   9.86 +/- 2.04   3.197% *  0.0680% (0.22   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    ALA   64  15.26 +/- 1.84   0.770% *  0.2447% (0.80   0.02   0.02) =   0.003%
          QD1   LEU   71 - HN    ALA   64  10.12 +/- 1.06   2.524% *  0.0680% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.85, support = 6.17, residual support = 54.8:
          QD2   LEU   63 - HN    ALA   64   3.90 +/- 0.94  42.793% * 60.5577% (1.00   5.89  54.84) =  65.535%  kept
          QD1   LEU   63 - HN    ALA   64   4.22 +/- 0.40  34.950% * 38.9354% (0.57   6.69  54.84) =  34.413%  kept
          QD1   LEU   73 - HN    ALA   64   8.98 +/- 1.95   9.749% *  0.1163% (0.57   0.02   4.20) =   0.029%
          QD2   LEU  115 - HN    ALA   64   8.52 +/- 1.15   5.661% *  0.0512% (0.25   0.02   0.02) =   0.007%
          QG2   VAL   41 - HN    ALA   64  11.13 +/- 1.02   2.295% *  0.1246% (0.61   0.02   0.02) =   0.007%
          QD2   LEU   98 - HN    ALA   64  12.86 +/- 1.82   2.256% *  0.0845% (0.41   0.02   0.02) =   0.005%
          QD1   LEU   80 - HN    ALA   64  15.71 +/- 3.66   1.242% *  0.0845% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   64  14.81 +/- 2.82   1.054% *  0.0457% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.7:
      O   QB    ALA   64 - HN    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.3:
      O   HA    ASP-  62 - HN    LEU   63   3.59 +/- 0.06  94.970% * 99.8321% (0.97  10.0   5.24  42.26) =  99.997%  kept
          HB    THR   26 - HN    LEU   63  18.65 +/- 4.13   1.620% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    LEU   63  12.92 +/- 1.42   2.382% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  23.45 +/- 5.03   1.028% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.684, support = 1.49, residual support = 10.1:
          HA    PHE   60 - HN    LEU   63   3.46 +/- 0.39  84.534% * 85.1116% (0.69   1.50  10.14) =  99.355%  kept
          HA    ALA  120 - HN    LEU   63  11.43 +/- 1.96   3.825% *  8.5383% (0.34   0.30   0.02) =   0.451%  kept
          QB    SER   48 - HN    LEU   63  15.16 +/- 4.50   4.293% *  0.9353% (0.57   0.02   0.02) =   0.055%
          QB    SER  117 - HN    LEU   63  12.20 +/- 1.07   2.356% *  1.6375% (0.99   0.02   0.02) =   0.053%
          HA    LYS+ 121 - HN    LEU   63  13.33 +/- 1.54   2.022% *  1.2626% (0.76   0.02   0.02) =   0.035%
          HB    THR   94 - HN    LEU   63  13.90 +/- 2.52   2.044% *  1.1348% (0.69   0.02   0.02) =   0.032%
          HA2   GLY   51 - HN    LEU   63  16.34 +/- 1.52   0.926% *  1.3799% (0.84   0.02   0.02) =   0.018%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.5:
      O   HA    LEU   63 - HN    LEU   63   2.81 +/- 0.07  96.813% * 99.8508% (0.76  10.0   7.54 242.52) =  99.998%  kept
          HB2   HIS   22 - HN    LEU   63  18.47 +/- 5.16   2.972% *  0.0446% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY  101 - HN    LEU   63  22.39 +/- 2.33   0.215% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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   3.09 +/- 0.54  97.621% * 99.7488% (0.98   5.24  42.26) =  99.997%  kept
          HB2   PRO   52 - HN    LEU   63  16.05 +/- 1.86   1.049% *  0.1743% (0.45   0.02   0.02) =   0.002%
          QB    ASP- 113 - HN    LEU   63  13.90 +/- 1.39   1.331% *  0.0769% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.3:
          HB3   ASP-  62 - HN    LEU   63   3.34 +/- 0.60  96.506% * 98.9506% (0.95   5.24  42.26) =  99.990%  kept
          HG3   MET   96 - HN    LEU   63  14.99 +/- 2.05   1.546% *  0.3688% (0.92   0.02   0.31) =   0.006%
          HG2   GLU-  29 - HN    LEU   63  21.26 +/- 4.31   0.973% *  0.1643% (0.41   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    LEU   63  22.63 +/- 3.51   0.561% *  0.2262% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  22.86 +/- 2.80   0.414% *  0.2901% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.13, residual support = 242.2:
      O   HB2   LEU   63 - HN    LEU   63   2.21 +/- 0.23  82.771% * 97.0957% (0.73  10.0   8.14 242.52) =  99.874%  kept
          HG3   LYS+  65 - HN    LEU   63   6.07 +/- 0.97   5.068% *  1.7809% (0.25   1.0   1.07   3.36) =   0.112%  kept
          HB3   ASP-  44 - HN    LEU   63   8.76 +/- 3.03   5.056% *  0.1117% (0.84   1.0   0.02   0.02) =   0.007%
          HB3   PRO   93 - HN    LEU   63  11.50 +/- 2.64   1.445% *  0.1325% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    LEU   63  17.14 +/- 3.69   0.893% *  0.1334% (1.00   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  13.79 +/- 1.91   0.397% *  0.1265% (0.95   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LEU   63   9.70 +/- 1.08   1.141% *  0.0333% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  11.96 +/- 1.89   0.771% *  0.0413% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  12.57 +/- 1.53   0.555% *  0.0550% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  16.53 +/- 1.84   0.229% *  0.1325% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  17.60 +/- 3.50   0.465% *  0.0599% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  16.25 +/- 3.04   0.353% *  0.0703% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  19.45 +/- 3.86   0.200% *  0.0811% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.44 +/- 1.32   0.227% *  0.0502% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.33 +/- 2.74   0.179% *  0.0265% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.58 +/- 2.77   0.088% *  0.0456% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.75 +/- 2.65   0.160% *  0.0234% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 242.5:
          HG    LEU   63 - HN    LEU   63   3.25 +/- 0.69  89.090% * 99.5069% (1.00   7.61 242.52) =  99.983%  kept
          QG2   VAL   24 - HN    LEU   63  15.78 +/- 3.55   3.306% *  0.2569% (0.98   0.02   0.02) =   0.010%
          HG3   LYS+ 112 - HN    LEU   63  12.11 +/- 1.51   2.358% *  0.1903% (0.73   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    LEU   63   9.98 +/- 1.95   5.247% *  0.0459% (0.18   0.02   0.12) =   0.003%
    Distance limit 3.37 A violated in 0 structures by 0.19 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 242.5:
      O   HB3   LEU   63 - HN    LEU   63   3.37 +/- 0.19  66.622% * 99.7743% (0.97  10.0   7.61 242.52) =  99.979%  kept
          QG1   VAL   70 - HN    LEU   63   6.70 +/- 1.65  17.380% *  0.0425% (0.41   1.0   0.02   0.02) =   0.011%
          QG1   VAL   18 - HN    LEU   63  10.57 +/- 5.14   6.694% *  0.0544% (0.53   1.0   0.02   0.02) =   0.005%
          QD1   LEU  123 - HN    LEU   63   8.51 +/- 1.93   6.254% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   63  15.16 +/- 2.18   0.946% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU   63  11.43 +/- 1.32   2.105% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.25, residual support = 242.0:
          QD1   LEU   63 - HN    LEU   63   3.58 +/- 0.71  43.309% * 48.9275% (0.90   7.11 242.52) =  51.243%  kept
          QD2   LEU   63 - HN    LEU   63   3.63 +/- 0.61  42.041% * 47.7304% (0.84   7.44 242.52) =  48.525%  kept
          QD1   LEU   73 - HN    LEU   63  10.65 +/- 2.34   2.880% *  3.0369% (0.90   0.44   0.02) =   0.212%  kept
          QD2   LEU  115 - HN    LEU   63   7.40 +/- 0.95   6.926% *  0.0869% (0.57   0.02   0.02) =   0.015%
          QD2   LEU   80 - HN    LEU   63  16.04 +/- 3.03   0.821% *  0.0808% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   63  13.92 +/- 2.60   1.033% *  0.0474% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    LEU   63  12.47 +/- 1.08   1.120% *  0.0427% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  13.94 +/- 1.97   1.154% *  0.0237% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  16.85 +/- 3.87   0.716% *  0.0237% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 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   2.43 +/- 0.35  98.257% * 99.9341% (0.84  10.0   3.83  40.97) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  14.71 +/- 1.89   0.642% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  13.33 +/- 1.62   1.102% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 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   2.91 +/- 0.52  97.866% * 99.7231% (0.82  10.0   3.83  40.97) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  16.31 +/- 1.69   0.793% *  0.0973% (0.80   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    ASP-  62  22.90 +/- 4.43   0.701% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  22.90 +/- 3.85   0.423% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  24.93 +/- 2.67   0.217% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.337, support = 0.803, residual support = 0.759:
          QB    LYS+  66 - HN    ASP-  62   6.31 +/- 1.51  35.602% * 69.5389% (0.32   0.85   0.80) =  94.352%  kept
          HG    LEU  123 - HN    ASP-  62  11.83 +/- 1.94   7.902% *  4.1255% (0.82   0.02   0.02) =   1.242%  kept
          HG3   PRO   68 - HN    ASP-  62  10.97 +/- 1.78   9.280% *  2.8212% (0.56   0.02   0.02) =   0.998%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.74 +/- 1.86   9.535% *  2.4691% (0.49   0.02   0.02) =   0.897%  kept
          HB3   PRO   52 - HN    ASP-  62  14.57 +/- 1.76   4.296% *  4.1255% (0.82   0.02   0.02) =   0.675%  kept
          QB    LYS+  81 - HN    ASP-  62  19.69 +/- 5.36   9.015% *  1.2126% (0.24   0.02   0.02) =   0.417%  kept
          HG2   PRO   93 - HN    ASP-  62  12.46 +/- 2.51   9.334% *  0.7638% (0.15   0.02   0.02) =   0.272%  kept
          HB3   ASP- 105 - HN    ASP-  62  16.00 +/- 2.06   2.812% *  2.2945% (0.45   0.02   0.02) =   0.246%  kept
          HB    VAL   41 - HN    ASP-  62  16.45 +/- 0.94   2.418% *  2.4691% (0.49   0.02   0.02) =   0.228%  kept
          HG12  ILE  103 - HN    ASP-  62  19.10 +/- 2.19   1.510% *  3.1668% (0.63   0.02   0.02) =   0.182%  kept
          QB    LYS+ 106 - HN    ASP-  62  15.59 +/- 2.47   3.798% *  1.0875% (0.21   0.02   0.02) =   0.157%  kept
          QB    LYS+  33 - HN    ASP-  62  19.28 +/- 2.82   2.146% *  1.7929% (0.35   0.02   0.02) =   0.147%  kept
          HB    ILE  103 - HN    ASP-  62  20.33 +/- 2.03   1.223% *  2.6452% (0.52   0.02   0.02) =   0.123%  kept
          HB3   GLN   90 - HN    ASP-  62  21.63 +/- 3.39   1.130% *  1.4876% (0.29   0.02   0.02) =   0.064%
    Distance limit 4.42 A violated in 7 structures by 1.40 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 2.75, residual support = 7.93:
          QB    ALA   61 - HN    ASP-  62   2.74 +/- 0.27  79.981% * 77.3722% (0.80   2.79   8.08) =  98.016%  kept
          QG    LYS+  66 - HN    ASP-  62   6.77 +/- 1.53   7.816% * 13.6747% (0.52   0.75   0.80) =   1.693%  kept
          HB3   LEU   67 - HN    ASP-  62   9.05 +/- 1.37   2.715% *  5.5515% (0.69   0.23   0.02) =   0.239%  kept
          HG    LEU   73 - HN    ASP-  62  13.05 +/- 3.22   3.207% *  0.2472% (0.35   0.02   0.02) =   0.013%
          HB3   LYS+  74 - HN    ASP-  62  11.19 +/- 2.49   2.464% *  0.2926% (0.42   0.02   0.02) =   0.011%
          QB    ALA  110 - HN    ASP-  62  12.30 +/- 1.94   1.165% *  0.6012% (0.86   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    ASP-  62  16.63 +/- 4.11   0.737% *  0.5959% (0.85   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    ASP-  62  19.77 +/- 4.20   0.419% *  0.5999% (0.86   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ASP-  62  15.09 +/- 1.03   0.530% *  0.3163% (0.45   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  19.07 +/- 3.56   0.392% *  0.4130% (0.59   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  16.06 +/- 1.32   0.450% *  0.1499% (0.21   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  24.66 +/- 2.28   0.124% *  0.1856% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.843, support = 2.36, residual support = 4.59:
          QB    LYS+  65 - HN    LEU   63   4.63 +/- 0.44  45.368% * 48.5108% (0.76   2.62   3.36) =  55.666%  kept
          QB    LYS+  66 - HN    LEU   63   5.28 +/- 1.13  37.322% * 46.6621% (0.95   2.04   6.18) =  44.048%  kept
          HB2   LEU   71 - HN    LEU   63  12.38 +/- 1.16   2.621% *  2.7545% (0.73   0.16   0.02) =   0.183%  kept
          HG2   PRO   93 - HN    LEU   63  13.15 +/- 2.47   3.250% *  0.4800% (0.99   0.02   0.02) =   0.039%
          HG    LEU  123 - HN    LEU   63  11.15 +/- 2.37   4.570% *  0.1818% (0.38   0.02   0.02) =   0.021%
          HB    VAL   41 - HN    LEU   63  14.53 +/- 1.32   1.487% *  0.3878% (0.80   0.02   0.02) =   0.015%
          HG12  ILE  103 - HN    LEU   63  17.46 +/- 2.56   1.009% *  0.3133% (0.65   0.02   0.02) =   0.008%
          QB    LYS+ 102 - HN    LEU   63  19.24 +/- 2.37   0.682% *  0.4201% (0.87   0.02   0.02) =   0.007%
          HB3   GLN   17 - HN    LEU   63  15.07 +/- 5.29   2.389% *  0.1078% (0.22   0.02   0.02) =   0.007%
          HB3   PRO   52 - HN    LEU   63  15.87 +/- 1.56   1.303% *  0.1818% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.11, residual support = 41.8:
      O   HA    PHE   60 - HN    ALA   61   3.62 +/- 0.03  78.191% * 99.3945% (0.69  10.0   5.11  41.82) =  99.974%  kept
          QB    SER   48 - HN    ALA   61  12.93 +/- 4.15  11.852% *  0.0819% (0.57   1.0   0.02   0.02) =   0.012%
          QB    SER  117 - HN    ALA   61  12.40 +/- 1.27   2.307% *  0.1434% (0.99   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    ALA   61  12.32 +/- 2.37   2.781% *  0.0994% (0.69   1.0   0.02   0.02) =   0.004%
          HA2   GLY   51 - HN    ALA   61  13.02 +/- 1.80   2.129% *  0.1209% (0.84   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    ALA   61  15.27 +/- 0.97   1.090% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.30 +/- 0.89   1.649% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.34 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 = 0.943, support = 2.73, residual support = 17.6:
      O   HA    ALA   61 - HN    ALA   61   2.77 +/- 0.05  81.275% * 94.1183% (0.95  10.0   2.74  17.83) =  98.874%  kept
          HD3   PRO   58 - HN    ALA   61   5.34 +/- 0.74  15.082% *  5.7647% (0.65   1.0   1.79   0.97) =   1.124%  kept
          HD2   PRO   68 - HN    ALA   61  11.10 +/- 1.39   1.466% *  0.0797% (0.80   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ALA   61  11.52 +/- 2.11   2.177% *  0.0373% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.92, residual support = 41.7:
          HB2   PHE   60 - HN    ALA   61   2.87 +/- 0.58  89.140% * 96.3210% (0.84   4.93  41.82) =  99.620%  kept
          HB    THR   46 - HN    ALA   61   9.09 +/- 2.72   9.916% *  3.2597% (0.20   0.70   0.32) =   0.375%  kept
          HB2   TRP   87 - HN    ALA   61  19.63 +/- 3.47   0.944% *  0.4193% (0.90   0.02   0.02) =   0.005%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.11, residual support = 41.8:
          HB3   PHE   60 - HN    ALA   61   3.09 +/- 0.66  95.868% * 99.2097% (0.98   5.11  41.82) =  99.991%  kept
          QE    LYS+ 106 - HN    ALA   61  16.40 +/- 2.91   1.075% *  0.3436% (0.87   0.02   0.02) =   0.004%
          HB2   PHE   97 - HN    ALA   61  14.71 +/- 2.23   1.400% *  0.1629% (0.41   0.02   0.02) =   0.002%
          HB3   TRP   27 - HN    ALA   61  16.32 +/- 2.95   1.322% *  0.1487% (0.38   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    ALA   61  23.66 +/- 2.68   0.336% *  0.1351% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.98, residual support = 17.8:
      O   QB    ALA   61 - HN    ALA   61   2.08 +/- 0.08  89.156% * 99.0576% (0.73  10.0   3.98  17.83) =  99.987%  kept
          HG    LEU   73 - HN    ALA   61  12.12 +/- 3.73   3.056% *  0.1352% (0.99   1.0   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    ALA   61   8.62 +/- 1.23   1.732% *  0.1337% (0.98   1.0   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    ALA   61   8.60 +/- 1.50   2.491% *  0.0827% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   61   9.81 +/- 1.14   0.959% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  10.89 +/- 1.92   0.913% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.92 +/- 1.27   0.732% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  14.35 +/- 1.41   0.304% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  16.88 +/- 4.24   0.406% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.33 +/- 3.81   0.187% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.31 +/- 2.25   0.063% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.754, support = 6.07, residual support = 39.6:
          HD3   PRO   58 - HN    PHE   59   2.72 +/- 0.57  88.598% * 95.2051% (0.76   6.09  39.78) =  99.538%  kept
          HA    ALA   61 - HN    PHE   59   6.78 +/- 0.50   8.744% *  4.4242% (0.26   0.81   0.89) =   0.457%  kept
          HA    VAL   75 - HN    PHE   59  14.50 +/- 2.06   1.231% *  0.3076% (0.74   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    PHE   59  12.82 +/- 2.01   1.427% *  0.0631% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.35, residual support = 58.0:
      O   HB2   PHE   59 - HN    PHE   59   2.81 +/- 0.47  85.961% * 97.2271% (0.76  10.0   4.35  58.13) =  99.867%  kept
          QB    PHE   55 - HN    PHE   59   8.11 +/- 0.60   4.200% *  2.4729% (0.73   1.0   0.53   0.02) =   0.124%  kept
          HB3   CYS   53 - HN    PHE   59   9.48 +/- 1.94   4.504% *  0.0674% (0.53   1.0   0.02   0.02) =   0.004%
          HD3   PRO   93 - HN    PHE   59  12.44 +/- 3.00   2.064% *  0.0851% (0.67   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    PHE   59  12.59 +/- 1.68   1.404% *  0.0880% (0.69   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    PHE   59  11.45 +/- 1.68   1.865% *  0.0595% (0.47   1.0   0.02   0.02) =   0.001%
    Distance limit 3.28 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 = 58.1:
      O   HB3   PHE   59 - HN    PHE   59   2.29 +/- 0.38  96.935% * 99.9594% (0.67  10.0   4.97  58.13) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59  10.20 +/- 2.29   2.752% *  0.0178% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    PHE   59  17.27 +/- 2.96   0.313% *  0.0228% (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 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.195, support = 6.54, residual support = 39.6:
      O   HB2   PRO   58 - HN    PHE   59   3.61 +/- 0.79  76.483% * 96.9168% (0.19  10.0   6.57  39.78) =  99.479%  kept
          HB2   GLN  116 - HN    PHE   59   7.73 +/- 1.85  19.287% *  1.9570% (0.64   1.0   0.12   0.50) =   0.507%  kept
          HB3   PHE   97 - HN    PHE   59  14.52 +/- 2.64   1.592% *  0.2670% (0.53   1.0   0.02   0.02) =   0.006%
          QG    GLU-  79 - HN    PHE   59  18.12 +/- 2.68   1.090% *  0.3112% (0.62   1.0   0.02   0.02) =   0.005%
          QG    GLN   32 - HN    PHE   59  22.85 +/- 3.62   1.253% *  0.1892% (0.38   1.0   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    PHE   59  24.73 +/- 2.02   0.295% *  0.3588% (0.71   1.0   0.02   0.02) =   0.001%
    Distance limit 4.44 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 = 39.8:
          HG2   PRO   58 - HN    PHE   59   2.92 +/- 0.42  86.932% * 98.7268% (0.76   6.29  39.78) =  99.979%  kept
          HB2   PRO   93 - HN    PHE   59  10.01 +/- 3.35   7.220% *  0.1316% (0.32   0.02   0.02) =   0.011%
          HG3   PRO   52 - HN    PHE   59  14.12 +/- 1.41   1.085% *  0.3138% (0.76   0.02   0.02) =   0.004%
          HG2   MET   11 - HN    PHE   59  27.33 +/- 6.78   0.559% *  0.3201% (0.77   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    PHE   59  10.73 +/- 0.96   2.291% *  0.0561% (0.14   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    PHE   59  23.29 +/- 3.25   0.286% *  0.3194% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  15.39 +/- 1.70   0.758% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  15.20 +/- 2.64   0.868% *  0.0433% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 6.24, residual support = 39.6:
      O   HB3   PRO   58 - HN    PHE   59   3.72 +/- 0.50  62.849% * 97.6194% (0.69  10.0   6.29  39.78) =  98.931%  kept
          HB    ILE   56 - HN    PHE   59   5.37 +/- 1.29  32.448% *  2.0356% (0.19   1.0   1.50  20.17) =   1.065%  kept
          HB2   MET   92 - HN    PHE   59  15.22 +/- 2.42   1.190% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    PHE   59  27.66 +/- 7.27   0.561% *  0.0790% (0.56   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    PHE   59  14.84 +/- 2.10   1.617% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   59  19.80 +/- 2.93   0.612% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  22.90 +/- 3.50   0.374% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.38 +/- 3.27   0.348% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.2:
          QG1   ILE   56 - HN    PHE   59   3.49 +/- 0.62  82.972% * 97.7307% (0.67   4.26  20.17) =  99.938%  kept
          QD    LYS+ 106 - HN    PHE   59  15.72 +/- 3.20   5.350% *  0.4234% (0.62   0.02   0.02) =   0.028%
          HB2   LEU   73 - HN    PHE   59  14.77 +/- 3.17   2.868% *  0.3207% (0.47   0.02   0.02) =   0.011%
          HB3   MET   92 - HN    PHE   59  14.15 +/- 2.45   1.874% *  0.2371% (0.35   0.02   0.02) =   0.005%
          QD    LYS+  99 - HN    PHE   59  18.25 +/- 2.29   0.978% *  0.4417% (0.64   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    PHE   59  13.48 +/- 1.57   1.864% *  0.1804% (0.26   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    PHE   59  20.14 +/- 2.29   0.662% *  0.4041% (0.59   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    PHE   59  12.67 +/- 1.26   2.535% *  0.0816% (0.12   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    PHE   59  18.76 +/- 3.25   0.899% *  0.1804% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.442, support = 0.02, residual support = 0.976:
          HA    ALA   61 - HN    ALA   57   7.21 +/- 0.90  82.692% * 14.7090% (0.34   0.02   1.35) =  71.838%  kept
          HD2   PRO   68 - HN    ALA   57  14.99 +/- 1.91  10.498% * 22.6869% (0.53   0.02   0.02) =  14.066%  kept
          HA    VAL   24 - HN    ALA   57  21.18 +/- 3.62   4.641% * 41.6148% (0.97   0.02   0.02) =  11.407%  kept
          HA    LYS+  38 - HN    ALA   57  24.89 +/- 2.48   2.169% * 20.9893% (0.49   0.02   0.02) =   2.689%  kept
    Distance limit 3.63 A violated in 20 structures by 3.55 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.396, support = 0.18, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   8.25 +/- 1.51  30.003% * 85.5071% (0.41   0.20   0.02) =  86.365%  kept
          HB3   CYS   53 - HN    ALA   57   6.63 +/- 1.60  43.459% *  6.9225% (0.34   0.02   0.02) =  10.128%  kept
          HD3   PRO   93 - HN    ALA   57  10.51 +/- 3.33  21.305% *  4.0162% (0.20   0.02   0.02) =   2.881%  kept
          HD3   PRO   68 - HN    ALA   57  14.66 +/- 1.64   5.233% *  3.5541% (0.18   0.02   0.02) =   0.626%  kept
    Distance limit 4.62 A violated in 8 structures by 1.21 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 = 0.635, support = 4.67, residual support = 27.8:
          HB3   PRO   58 - HN    ALA   57   5.52 +/- 0.79  32.353% * 73.0649% (0.90   4.22  25.51) =  59.648%  kept
          HB    ILE   56 - HN    ALA   57   3.99 +/- 0.84  62.152% * 25.7100% (0.25   5.33  31.20) =  40.322%  kept
          HB2   MET   92 - HN    ALA   57  13.58 +/- 2.83   2.142% *  0.2807% (0.73   0.02   0.02) =   0.015%
          HG3   MET   11 - HN    ALA   57  29.51 +/- 7.57   0.831% *  0.2807% (0.73   0.02   0.02) =   0.006%
          HB3   MET   96 - HN    ALA   57  15.68 +/- 1.95   1.288% *  0.0964% (0.25   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    ALA   57  21.54 +/- 2.68   0.526% *  0.2188% (0.57   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  25.02 +/- 3.78   0.387% *  0.2034% (0.53   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    ALA   57  25.71 +/- 2.82   0.322% *  0.1451% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.85, residual support = 24.1:
      O   QB    ALA   57 - HN    ALA   57   2.67 +/- 0.44  92.993% * 99.4737% (0.92  10.0   4.85  24.14) =  99.995%  kept
          HD2   LYS+  74 - HN    ALA   57  13.04 +/- 2.44   1.538% *  0.1068% (0.99   1.0   0.02   0.02) =   0.002%
          QD    LYS+  65 - HN    ALA   57  10.64 +/- 1.61   2.273% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   57  13.81 +/- 1.66   0.928% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  14.79 +/- 1.69   0.805% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  16.45 +/- 1.67   0.532% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.17 +/- 3.80   0.488% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.38 +/- 2.67   0.223% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.91 +/- 3.19   0.220% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.24, residual support = 31.2:
          QG2   ILE   56 - HN    ALA   57   3.45 +/- 0.83  89.301% * 97.4389% (0.87   5.24  31.20) =  99.965%  kept
          QB    ALA   91 - HN    ALA   57  12.64 +/- 2.76   3.090% *  0.4139% (0.97   0.02   0.02) =   0.015%
          HG2   LYS+  74 - HN    ALA   57  12.53 +/- 2.36   3.047% *  0.1923% (0.45   0.02   0.02) =   0.007%
          QG2   THR   39 - HN    ALA   57  19.24 +/- 1.59   0.684% *  0.4139% (0.97   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ALA   57  18.78 +/- 1.65   0.750% *  0.2946% (0.69   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    ALA   57  20.06 +/- 3.61   0.725% *  0.2946% (0.69   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    ALA   57  18.88 +/- 2.86   0.877% *  0.1763% (0.41   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ALA   57  19.66 +/- 4.07   0.873% *  0.1463% (0.34   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ALA   57  27.16 +/- 2.69   0.276% *  0.4204% (0.98   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    ALA   57  23.50 +/- 1.89   0.376% *  0.2088% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.15 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.62, residual support = 59.1:
      O   HB2   ASN   69 - HD21  ASN   69   3.20 +/- 0.50  93.157% * 99.6854% (0.36  10.0   3.62  59.15) =  99.993%  kept
          QE    LYS+  66 - HD21  ASN   69  11.25 +/- 1.85   3.270% *  0.1287% (0.47   1.0   0.02   0.02) =   0.005%
          HB3   ASN   35 - HD21  ASN   69  14.80 +/- 3.65   2.674% *  0.0811% (0.30   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HD21  ASN   69  20.38 +/- 3.11   0.504% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  23.67 +/- 3.43   0.395% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.308, support = 3.87, residual support = 23.2:
          QG1   VAL   70 - HD21  ASN   69   4.09 +/- 1.19  52.909% * 82.4601% (0.32   4.12  25.17) =  92.316%  kept
          QD1   LEU   71 - HD21  ASN   69   6.68 +/- 2.23  32.065% * 10.1455% (0.19   0.84   0.02) =   6.884%  kept
          QD1   LEU  123 - HD21  ASN   69  12.01 +/- 4.65   5.551% *  5.7455% (0.19   0.48   0.02) =   0.675%  kept
          HB3   LEU   63 - HD21  ASN   69  10.15 +/- 2.45   6.212% *  0.7065% (0.56   0.02   0.02) =   0.093%
          QG1   VAL   18 - HD21  ASN   69  13.15 +/- 4.51   2.335% *  0.4853% (0.39   0.02   0.02) =   0.024%
          QG1   VAL  108 - HD21  ASN   69  19.50 +/- 2.71   0.928% *  0.4571% (0.36   0.02   0.02) =   0.009%
    Distance limit 4.50 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 = 0.425, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  12.03 +/- 3.11  18.354% * 19.7883% (0.53   0.02   0.02) =  31.201%  kept
          HA    ASN   35 - HD21  ASN   69  12.62 +/- 3.30  15.689% * 17.4728% (0.47   0.02   0.02) =  23.550%  kept
          HA    LEU  123 - HD21  ASN   69  14.40 +/- 6.70  16.401% * 14.3693% (0.39   0.02   0.02) =  20.246%  kept
          HA    LEU   40 - HD21  ASN   69   8.41 +/- 2.00  33.913% *  2.8311% (0.08   0.02   0.02) =   8.248%  kept
          HA    PHE   59 - HD21  ASN   69  15.09 +/- 2.43   9.282% *  8.6000% (0.23   0.02   0.02) =   6.858%  kept
          HA    ILE   56 - HD21  ASN   69  20.19 +/- 2.78   3.848% * 16.7505% (0.45   0.02   0.02) =   5.537%  kept
          HA    ASP- 113 - HD21  ASN   69  21.71 +/- 3.38   2.514% * 20.1881% (0.54   0.02   0.02) =   4.360%  kept
    Distance limit 4.96 A violated in 12 structures by 2.27 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.961, support = 4.02, residual support = 19.2:
          QB    PHE   55 - HN    ILE   56   3.08 +/- 0.45  60.297% * 61.0161% (0.97   4.33  20.94) =  90.654%  kept
          HB3   CYS   53 - HN    ILE   56   5.19 +/- 0.63  16.426% * 10.5693% (0.97   0.75   0.02) =   4.278%  kept
          HD2   ARG+  54 - HN    ILE   56   6.41 +/- 0.75   8.760% * 19.3930% (0.92   1.44   0.02) =   4.186%  kept
          HB2   PHE   59 - HN    ILE   56   8.03 +/- 1.04   4.049% *  8.3697% (0.76   0.75  20.17) =   0.835%  kept
          HD3   PRO   93 - HN    ILE   56   9.06 +/- 2.87   5.811% *  0.2914% (1.00   0.02   0.02) =   0.042%
          HD3   PRO   68 - HN    ILE   56  16.77 +/- 2.26   0.596% *  0.2895% (0.99   0.02   0.02) =   0.004%
          HD3   PRO   68 - HZ2   TRP   87  22.36 +/- 5.11   1.791% *  0.0126% (0.04   0.02   0.02) =   0.001%
          HD3   PRO   93 - HZ2   TRP   87  14.66 +/- 2.97   0.983% *  0.0126% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.32 +/- 3.67   0.377% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.96 +/- 2.25   0.328% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  22.64 +/- 4.58   0.310% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  20.71 +/- 3.51   0.272% *  0.0097% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.9, residual support = 122.5:
      O   HB    ILE   56 - HN    ILE   56   3.31 +/- 0.44  53.546% * 94.5201% (0.87  10.0   5.93 123.21) =  99.424%  kept
          HB3   PRO   58 - HN    ILE   56   8.06 +/- 1.00   4.700% *  4.3627% (0.80   1.0   1.00   0.02) =   0.403%  kept
          HG2   ARG+  54 - HN    ILE   56   5.60 +/- 0.87  15.559% *  0.5367% (0.18   1.0   0.56   0.02) =   0.164%  kept
          HB2   MET   92 - HN    ILE   56  12.04 +/- 2.50   1.723% *  0.1031% (0.95   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ILE   56  17.95 +/- 4.28   2.108% *  0.0448% (0.41   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ILE   56  15.19 +/- 2.72   1.560% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  23.23 +/- 2.34   0.208% *  0.1087% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  18.01 +/- 2.84   0.974% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  16.84 +/- 2.99   0.528% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  13.19 +/- 6.12   6.762% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.62 +/- 2.88   0.134% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  13.84 +/- 3.98   1.845% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  18.29 +/- 2.63   0.454% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.84 +/- 2.27   0.165% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  20.25 +/- 6.46   1.043% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  31.34 +/- 7.38   0.270% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.28 +/- 2.44   0.252% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.99 +/- 1.41   1.590% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.48 +/- 3.88   0.403% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  16.38 +/- 7.22   2.175% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.31 +/- 0.99   0.799% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  24.51 +/- 6.42   0.252% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  23.09 +/- 4.44   0.260% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  18.53 +/- 5.96   0.648% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  22.15 +/- 5.59   0.460% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  23.57 +/- 5.35   0.781% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.42 +/- 4.43   0.419% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  33.19 +/- 8.52   0.384% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.09 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.29, residual support = 123.1:
          QG1   ILE   56 - HN    ILE   56   3.89 +/- 0.63  58.567% * 97.5112% (0.87   5.29 123.21) =  99.919%  kept
          HD2   LYS+ 111 - HN    ILE   56  12.24 +/- 1.48   2.262% *  0.7147% (0.34   0.10   1.77) =   0.028%
          HB3   MET   92 - HN    ILE   56  11.07 +/- 2.58   4.381% *  0.1905% (0.45   0.02   0.02) =   0.015%
          HB2   LEU   73 - HN    ILE   56  16.54 +/- 4.58   2.567% *  0.2578% (0.61   0.02   0.02) =   0.012%
          QD    LYS+ 106 - HN    ILE   56  16.67 +/- 2.93   1.912% *  0.3403% (0.80   0.02   0.02) =   0.011%
          HB    ILE   89 - HN    ILE   56  15.88 +/- 2.86   1.467% *  0.1450% (0.34   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HZ2   TRP   87  13.13 +/- 6.46  11.879% *  0.0148% (0.03   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    ILE   56  21.85 +/- 2.36   0.465% *  0.3550% (0.84   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    ILE   56  23.84 +/- 2.26   0.361% *  0.3248% (0.76   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  17.96 +/- 1.95   0.720% *  0.0656% (0.15   0.02   0.02) =   0.001%
          HB3   MET   92 - HZ2   TRP   87  13.82 +/- 3.90   4.246% *  0.0083% (0.02   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   9.40 +/- 1.13   5.300% *  0.0063% (0.01   0.02  17.50) =   0.001%
          QG1   ILE   56 - HZ2   TRP   87  17.09 +/- 3.12   1.141% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  17.10 +/- 3.92   1.518% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  20.60 +/- 6.62   1.037% *  0.0141% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  19.57 +/- 5.63   0.944% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  20.83 +/- 5.49   0.984% *  0.0063% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  27.21 +/- 4.79   0.249% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.12 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.376, support = 0.519, residual support = 1.47:
          QB    ALA   61 - HN    ILE   56   6.74 +/- 1.66  20.570% * 31.3030% (0.38   0.60   2.11) =  52.046%  kept
          QB    ALA  110 - HN    ILE   56   7.73 +/- 2.98  18.159% * 16.2690% (0.20   0.59   1.56) =  23.879%  kept
          HG    LEU  115 - HN    ILE   56   8.70 +/- 1.66   8.920% * 19.9093% (0.38   0.38   0.02) =  14.354%  kept
          HB3   LEU  115 - HN    ILE   56   8.96 +/- 1.49   6.393% * 13.2333% (0.92   0.10   0.02) =   6.838%  kept
          HG    LEU   73 - HN    ILE   56  16.81 +/- 5.32   5.442% *  2.4881% (0.90   0.02   0.02) =   1.094%  kept
          HG    LEU   80 - HZ2   TRP   87   9.81 +/- 2.01   8.852% *  0.4881% (0.01   0.36   0.02) =   0.349%  kept
          QG    LYS+  66 - HN    ILE   56  13.78 +/- 1.39   1.736% *  2.0146% (0.73   0.02   0.02) =   0.283%  kept
          HG    LEU   67 - HN    ILE   56  16.94 +/- 2.63   1.267% *  2.3174% (0.84   0.02   0.02) =   0.237%  kept
          HG    LEU   73 - HZ2   TRP   87  17.44 +/- 4.41   1.543% *  1.8514% (0.04   0.34   0.02) =   0.231%  kept
          QB    ALA  120 - HN    ILE   56  13.82 +/- 1.41   2.025% *  1.0413% (0.38   0.02   0.02) =   0.170%  kept
          HB3   LEU   67 - HN    ILE   56  15.93 +/- 2.15   1.230% *  1.4597% (0.53   0.02   0.02) =   0.145%  kept
          HG    LEU   40 - HN    ILE   56  19.91 +/- 1.71   0.590% *  2.5611% (0.92   0.02   0.02) =   0.122%  kept
          HG2   LYS+ 102 - HN    ILE   56  27.57 +/- 3.10   0.347% *  2.6775% (0.97   0.02   0.02) =   0.075%
          HG    LEU   80 - HN    ILE   56  19.77 +/- 3.05   0.657% *  0.6177% (0.22   0.02   0.02) =   0.033%
          HG12  ILE   19 - HN    ILE   56  22.36 +/- 3.63   0.706% *  0.4281% (0.15   0.02   0.02) =   0.024%
          HB3   LEU   40 - HN    ILE   56  20.46 +/- 2.27   0.550% *  0.5490% (0.20   0.02   0.02) =   0.024%
          QG    LYS+  66 - HZ2   TRP   87  21.53 +/- 4.36   2.257% *  0.0874% (0.03   0.02   0.02) =   0.016%
          HG    LEU   40 - HZ2   TRP   87  19.62 +/- 5.18   1.760% *  0.1111% (0.04   0.02   0.02) =   0.016%
          HB3   LEU  115 - HZ2   TRP   87  18.53 +/- 4.00   1.365% *  0.1111% (0.04   0.02   0.02) =   0.012%
          HG2   LYS+ 102 - HZ2   TRP   87  20.63 +/- 7.44   1.183% *  0.1162% (0.04   0.02   0.02) =   0.011%
          QB    ALA  110 - HZ2   TRP   87  15.10 +/- 4.18   4.849% *  0.0238% (0.01   0.02   0.02) =   0.009%
          HG    LEU   67 - HZ2   TRP   87  21.06 +/- 4.81   0.873% *  0.1006% (0.04   0.02   0.02) =   0.007%
          HG12  ILE   19 - HZ2   TRP   87  22.33 +/- 7.26   4.149% *  0.0186% (0.01   0.02   0.02) =   0.006%
          HB3   LEU   67 - HZ2   TRP   87  20.44 +/- 4.40   0.847% *  0.0633% (0.02   0.02   0.02) =   0.004%
          QB    ALA   61 - HZ2   TRP   87  17.02 +/- 3.27   1.110% *  0.0452% (0.02   0.02   0.02) =   0.004%
          HG    LEU  115 - HZ2   TRP   87  19.43 +/- 3.87   0.974% *  0.0452% (0.02   0.02   0.02) =   0.004%
          HB3   LEU   40 - HZ2   TRP   87  19.66 +/- 5.59   1.127% *  0.0238% (0.01   0.02   0.02) =   0.002%
          QB    ALA  120 - HZ2   TRP   87  21.64 +/- 4.25   0.519% *  0.0452% (0.02   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 3 structures by 0.66 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.7, residual support = 123.2:
          QG2   ILE   56 - HN    ILE   56   2.57 +/- 0.49  88.457% * 98.4656% (1.00   6.70 123.21) =  99.992%  kept
          QB    ALA   91 - HN    ILE   56  11.36 +/- 2.42   1.698% *  0.2134% (0.73   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    ILE   56  20.30 +/- 1.45   0.245% *  0.2780% (0.95   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ILE   56  13.74 +/- 2.32   1.167% *  0.0582% (0.20   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ILE   56  20.68 +/- 3.66   0.337% *  0.1901% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  20.62 +/- 1.74   0.218% *  0.2134% (0.73   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   56  21.97 +/- 3.58   0.233% *  0.1103% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  29.07 +/- 2.76   0.083% *  0.2780% (0.95   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  17.43 +/- 5.50   1.152% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  20.73 +/- 3.47   0.246% *  0.0515% (0.18   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.06 +/- 1.12   1.209% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  22.45 +/- 7.47   1.714% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.12 +/- 2.27   0.122% *  0.0654% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  15.88 +/- 3.31   0.597% *  0.0128% (0.04   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  17.77 +/- 5.19   0.589% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  19.50 +/- 4.97   0.457% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  25.43 +/- 6.70   0.183% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  16.89 +/- 2.96   0.570% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  21.74 +/- 6.75   0.388% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  20.77 +/- 5.39   0.336% *  0.0022% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.916, support = 5.77, residual support = 96.6:
          HD2   ARG+  54 - HN    ARG+  54   3.88 +/- 0.92  29.718% * 43.9433% (0.95   6.59 170.76) =  49.399%  kept
          HB3   CYS   53 - HN    ARG+  54   3.90 +/- 0.40  26.602% * 36.6716% (0.94   5.55  31.76) =  36.903%  kept
          QB    PHE   55 - HN    ARG+  54   4.32 +/- 0.23  19.310% * 18.4735% (0.76   3.46   4.05) =  13.494%  kept
          HB2   PHE   59 - HN    ASP-  62   5.78 +/- 0.39   8.734% *  0.4924% (0.09   0.75   6.17) =   0.163%  kept
          HD3   PRO   93 - HN    ARG+  54   9.64 +/- 2.88   6.667% *  0.1196% (0.85   0.02   0.02) =   0.030%
          HB2   PHE   59 - HN    ARG+  54  11.80 +/- 1.00   0.958% *  0.0702% (0.50   0.02   0.02) =   0.003%
          HB3   CYS   53 - HN    ASP-  62  10.42 +/- 2.23   2.010% *  0.0247% (0.18   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ASP-  62   9.42 +/- 1.54   2.245% *  0.0217% (0.15   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ARG+  54  18.62 +/- 2.80   0.361% *  0.1157% (0.82   0.02   0.02) =   0.002%
          QB    PHE   55 - HN    ASP-  62  10.69 +/- 1.14   1.581% *  0.0200% (0.14   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    ASP-  62  12.69 +/- 1.83   0.913% *  0.0250% (0.18   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  14.06 +/- 2.68   0.901% *  0.0224% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.65, residual support = 170.7:
      O   HB2   ARG+  54 - HN    ARG+  54   2.70 +/- 0.56  79.521% * 96.9633% (0.26  10.0   6.65 170.76) =  99.978%  kept
          HB2   LYS+ 111 - HN    ARG+  54  13.86 +/- 2.28   1.589% *  0.2793% (0.76   1.0   0.02   0.02) =   0.006%
          HB    VAL  108 - HN    ARG+  54  16.39 +/- 3.83   2.911% *  0.1190% (0.32   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    ARG+  54  15.79 +/- 1.42   0.575% *  0.1974% (0.54   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ASP-  62   8.99 +/- 1.28   2.993% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ARG+  54  21.00 +/- 3.25   0.269% *  0.3457% (0.94   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  11.84 +/- 1.27   1.244% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  13.92 +/- 1.74   0.961% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  16.67 +/- 5.45   0.846% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  25.83 +/- 2.83   0.129% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  25.61 +/- 4.84   0.152% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  25.49 +/- 3.55   0.136% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.35 +/- 1.07   0.577% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  25.01 +/- 2.50   0.149% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.44 +/- 3.19   0.416% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.24 +/- 1.76   1.275% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  17.62 +/- 3.79   0.479% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  28.11 +/- 4.12   0.119% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.43 +/- 2.81   0.543% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  20.27 +/- 3.10   0.379% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.03 +/- 1.91   1.887% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.77 +/- 2.42   0.072% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.08 +/- 1.43   1.009% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  23.40 +/- 3.73   0.198% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.28 +/- 2.42   0.494% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  16.06 +/- 3.70   0.699% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  23.21 +/- 4.47   0.228% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.95 +/- 2.00   0.149% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.906, support = 6.48, residual support = 162.4:
          HG2   ARG+  54 - HN    ARG+  54   3.37 +/- 0.32  48.332% * 82.2018% (0.94   6.65 170.76) =  95.074%  kept
          HB3   PRO   52 - HN    ARG+  54   5.16 +/- 0.22  14.486% * 13.0620% (0.29   3.39   1.93) =   4.528%  kept
          HB    ILE   56 - HN    ARG+  54   7.19 +/- 0.78   5.919% *  2.4129% (0.46   0.40   0.02) =   0.342%  kept
          QB    LYS+ 106 - HN    ARG+  54  17.00 +/- 3.56   3.078% *  0.2236% (0.85   0.02   0.02) =   0.016%
          QB    LYS+  81 - HN    ARG+  54  17.11 +/- 4.07   1.608% *  0.2302% (0.87   0.02   0.02) =   0.009%
          HB    ILE   56 - HN    ASP-  62   8.48 +/- 2.11  12.357% *  0.0227% (0.09   0.02   0.02) =   0.007%
          HB3   GLN   90 - HN    ARG+  54  15.57 +/- 3.80   0.891% *  0.2407% (0.91   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    ARG+  54  20.79 +/- 3.48   0.710% *  0.2488% (0.94   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    ASP-  62  19.69 +/- 5.36   2.155% *  0.0431% (0.16   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  10.97 +/- 1.78   2.043% *  0.0450% (0.17   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    ASP-  62  11.74 +/- 1.86   1.543% *  0.0462% (0.18   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ARG+  54  20.18 +/- 3.09   0.282% *  0.2407% (0.91   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ARG+  54  24.29 +/- 3.37   0.265% *  0.2444% (0.93   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ASP-  62  15.59 +/- 2.47   1.017% *  0.0418% (0.16   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASP-  62  16.00 +/- 2.06   0.623% *  0.0466% (0.18   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  26.56 +/- 2.30   0.111% *  0.2472% (0.94   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  11.83 +/- 1.94   1.665% *  0.0144% (0.05   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ARG+  54  20.09 +/- 2.37   0.288% *  0.0770% (0.29   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP-  62  19.28 +/- 2.82   0.363% *  0.0462% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.33 +/- 2.03   0.258% *  0.0457% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.63 +/- 3.39   0.234% *  0.0450% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.57 +/- 1.76   0.693% *  0.0144% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  29.73 +/- 3.12   0.085% *  0.0851% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  24.96 +/- 2.46   0.136% *  0.0493% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  17.75 +/- 2.92   0.543% *  0.0092% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  21.32 +/- 3.13   0.311% *  0.0159% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.196, support = 2.63, residual support = 7.58:
          QB    ALA   61 - HN    ASP-  62   2.74 +/- 0.27  67.797% * 47.6556% (0.16   2.79   8.08) =  93.592%  kept
          QB    ALA  110 - HN    ARG+  54   9.55 +/- 3.22   6.146% * 17.6192% (0.95   0.18   0.02) =   3.137%  kept
          QG    LYS+  66 - HN    ASP-  62   6.77 +/- 1.53   6.625% *  8.4226% (0.11   0.75   0.80) =   1.616%  kept
          QB    ALA   61 - HN    ARG+  54   8.23 +/- 1.94   4.886% *  8.7848% (0.87   0.10   0.02) =   1.243%  kept
          HB3   LEU   67 - HN    ASP-  62   9.05 +/- 1.37   2.300% *  3.4193% (0.14   0.23   0.02) =   0.228%  kept
          HG    LEU   73 - HN    ARG+  54  18.40 +/- 5.13   1.471% *  0.8136% (0.39   0.02   0.02) =   0.035%
          HB3   LEU   67 - HN    ARG+  54  17.56 +/- 2.90   0.443% *  1.5847% (0.76   0.02   0.02) =   0.020%
          HB3   LYS+  74 - HN    ARG+  54  16.29 +/- 3.04   0.696% *  0.9633% (0.46   0.02   0.02) =   0.019%
          QG    LYS+  66 - HN    ARG+  54  15.42 +/- 1.87   0.497% *  1.2004% (0.57   0.02   0.02) =   0.017%
          HG    LEU   80 - HN    ARG+  54  19.53 +/- 2.56   0.235% *  1.9747% (0.94   0.02   0.02) =   0.013%
          HG    LEU   73 - HN    ASP-  62  13.05 +/- 3.22   2.713% *  0.1522% (0.07   0.02   0.02) =   0.012%
          HB2   LEU   80 - HN    ARG+  54  18.46 +/- 2.66   0.290% *  1.3594% (0.65   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HN    ASP-  62  11.19 +/- 2.49   2.076% *  0.1802% (0.09   0.02   0.02) =   0.011%
          QB    ALA  110 - HN    ASP-  62  12.30 +/- 1.94   0.982% *  0.3703% (0.18   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    ASP-  62  16.63 +/- 4.11   0.627% *  0.3670% (0.18   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ARG+  54  24.22 +/- 3.86   0.117% *  1.9616% (0.94   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    ARG+  54  22.09 +/- 2.21   0.167% *  1.0412% (0.50   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    ASP-  62  19.77 +/- 4.20   0.350% *  0.3695% (0.18   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ARG+  54  20.74 +/- 2.31   0.207% *  0.4935% (0.24   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ASP-  62  15.09 +/- 1.03   0.449% *  0.1948% (0.09   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  19.07 +/- 3.56   0.328% *  0.2544% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  29.59 +/- 3.97   0.111% *  0.6108% (0.29   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP-  62  16.06 +/- 1.32   0.381% *  0.0923% (0.04   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  24.66 +/- 2.28   0.105% *  0.1143% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.458, support = 2.8, residual support = 10.8:
      O   HA2   GLY   51 - HN    GLY   51   2.64 +/- 0.23  41.276% * 83.6625% (0.49  10.0   2.21  10.15) =  80.473%  kept
          HD2   PRO   52 - HN    GLY   51   2.38 +/- 0.64  54.959% * 15.2377% (0.34   1.0   5.20  13.68) =  19.516%  kept
          QB    SER   48 - HN    GLY   51   7.89 +/- 1.11   1.530% *  0.1314% (0.76   1.0   0.02   0.02) =   0.005%
          QB    SER   85 - HN    GLY   51  17.29 +/- 4.61   0.914% *  0.1659% (0.97   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    GLY   51  14.17 +/- 2.80   0.377% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    GLY   51  16.85 +/- 3.99   0.254% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    GLY   51  17.74 +/- 4.65   0.419% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.30 +/- 1.57   0.055% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.82 +/- 2.13   0.120% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  29.74 +/- 5.53   0.030% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.20 +/- 1.54   0.043% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.82 +/- 3.00   0.023% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.58, residual support = 7.68:
      O   QB    CYS   50 - HN    CYS   50   2.94 +/- 0.29  90.767% * 99.6294% (0.69  10.0   1.58   7.69) =  99.986%  kept
          HB3   ASP-  78 - HN    CYS   50  11.87 +/- 5.02   5.306% *  0.1529% (0.84   1.0   0.02   0.02) =   0.009%
          QE    LYS+  74 - HN    CYS   50  11.80 +/- 4.32   3.426% *  0.1329% (0.73   1.0   0.02   0.02) =   0.005%
          HB3   ASN   69 - HN    CYS   50  23.37 +/- 3.94   0.242% *  0.0565% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  22.70 +/- 2.30   0.259% *  0.0282% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.02, residual support = 6.77:
          QB    ALA   47 - HN    CYS   50   2.85 +/- 0.97  91.309% * 97.6982% (0.57   2.02   6.78) =  99.915%  kept
          QB    ALA   64 - HN    CYS   50  12.42 +/- 2.99   4.499% *  1.2384% (0.73   0.02   0.02) =   0.062%
          QG1   VAL   42 - HN    CYS   50  14.31 +/- 1.30   1.552% *  0.7646% (0.45   0.02   0.02) =   0.013%
          HG2   LYS+ 112 - HN    CYS   50  14.33 +/- 3.65   2.641% *  0.2987% (0.18   0.02   0.02) =   0.009%
    Distance limit 4.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.295, support = 3.46, residual support = 14.5:
      O   HA    SER   48 - HN    TRP   49   3.52 +/- 0.08  36.093% * 70.3857% (0.22  10.0   3.25  14.47) =  67.882%  kept
          QB    SER   48 - HN    TRP   49   3.31 +/- 0.31  43.198% * 27.7312% (0.45   1.0   3.91  14.47) =  32.010%  kept
          HD2   PRO   52 - HN    TRP   49   6.13 +/- 0.92   8.271% *  0.2045% (0.65   1.0   0.02   3.03) =   0.045%
          QB    SER   85 - HN    TRP   49  15.13 +/- 3.68   3.482% *  0.3051% (0.97   1.0   0.02   0.02) =   0.028%
          HA    LYS+  65 - HN    TRP   49  16.75 +/- 5.71   1.850% *  0.3134% (0.99   1.0   0.02   0.02) =   0.015%
          HA2   GLY   51 - HN    TRP   49   7.50 +/- 0.76   4.120% *  0.0704% (0.22   1.0   0.02   0.02) =   0.008%
          HA    ALA   88 - HN    TRP   49  15.51 +/- 4.17   1.622% *  0.1300% (0.41   1.0   0.02   0.02) =   0.006%
          HB    THR   94 - HN    TRP   49  13.01 +/- 2.00   0.975% *  0.1078% (0.34   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    TRP   49  29.31 +/- 6.50   0.089% *  0.3051% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    TRP   49  24.86 +/- 2.50   0.118% *  0.2172% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    TRP   49  28.92 +/- 4.54   0.085% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  26.18 +/- 2.21   0.096% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.11, residual support = 85.7:
      O   HB3   TRP   49 - HN    TRP   49   3.06 +/- 0.44  98.802% * 99.8958% (0.80  10.0   4.11  85.66) =  99.999%  kept
          HB3   PHE   59 - HN    TRP   49  15.98 +/- 2.65   1.198% *  0.1042% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 0.396, support = 2.45, residual support = 9.17:
      O   QB    SER   48 - HN    SER   48   2.33 +/- 0.24  57.574% * 66.2308% (0.45  10.0   2.41   9.17) =  76.697%  kept
      O   HA    SER   48 - HN    SER   48   2.77 +/- 0.05  35.205% * 32.8893% (0.22  10.0   2.61   9.17) =  23.289%  kept
          HA    LYS+  65 - HN    SER   48  16.52 +/- 5.48   1.663% *  0.1464% (0.99   1.0   0.02   0.02) =   0.005%
          HD2   PRO   52 - HN    SER   48   7.60 +/- 1.29   1.963% *  0.0956% (0.65   1.0   0.02   0.02) =   0.004%
          QB    SER   85 - HN    SER   48  13.96 +/- 3.17   0.888% *  0.1426% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    SER   48  14.23 +/- 3.90   0.958% *  0.0607% (0.41   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  11.60 +/- 1.82   0.654% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.40 +/- 0.75   0.889% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER   48  28.29 +/- 6.76   0.049% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  24.64 +/- 2.64   0.059% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.42 +/- 4.59   0.049% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  25.66 +/- 2.45   0.051% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.07, residual support = 6.25:
          QB    ALA   47 - HN    SER   48   2.99 +/- 0.28  90.096% * 99.1174% (0.90   4.07   6.25) =  99.972%  kept
          QB    ALA   64 - HN    SER   48  12.06 +/- 3.68   6.299% *  0.2039% (0.38   0.02   0.02) =   0.014%
          QG1   VAL   42 - HN    SER   48  13.35 +/- 1.90   1.618% *  0.4351% (0.80   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HN    SER   48  16.19 +/- 3.77   1.988% *  0.2436% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.812, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.69 +/- 2.61  65.392% * 52.2208% (0.84   0.02   0.02) =  67.375%  kept
          HB2   TRP   87 - HN    ALA   47  14.28 +/- 2.31  34.608% * 47.7792% (0.76   0.02   0.02) =  32.625%  kept
    Distance limit 4.31 A violated in 18 structures by 4.63 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.32, residual support = 5.79:
          QB    CYS   50 - HN    ALA   47   4.40 +/- 0.96  61.089% * 68.4927% (0.97   1.44   6.78) =  85.369%  kept
          QE    LYS+  74 - HN    ALA   47   9.35 +/- 3.91  23.534% * 30.1694% (0.98   0.62   0.02) =  14.486%  kept
          HB3   ASP-  78 - HN    ALA   47   9.77 +/- 3.74  12.993% *  0.4802% (0.49   0.02   0.55) =   0.127%  kept
          HB3   ASN   69 - HN    ALA   47  21.14 +/- 3.46   0.745% *  0.6382% (0.65   0.02   0.02) =   0.010%
          HB2   PHE   72 - HN    ALA   47  15.04 +/- 2.00   1.639% *  0.2196% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.05 A violated in 0 structures by 0.18 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 11.5:
          QG2   THR   46 - HN    ALA   47   3.47 +/- 0.62  90.205% * 97.5682% (0.97   3.20  11.51) =  99.947%  kept
          QG1   VAL   43 - HN    ALA   47  11.08 +/- 1.23   4.680% *  0.4337% (0.69   0.02   0.02) =   0.023%
          QG2   VAL   18 - HN    ALA   47  16.74 +/- 5.85   1.707% *  0.5662% (0.90   0.02   0.02) =   0.011%
          QD1   ILE   19 - HN    ALA   47  17.90 +/- 4.41   1.121% *  0.5972% (0.95   0.02   0.02) =   0.008%
          QD2   LEU  104 - HN    ALA   47  18.53 +/- 2.64   1.261% *  0.5273% (0.84   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    ALA   47  16.71 +/- 1.20   1.026% *  0.3073% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.32, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.35 +/- 0.20  91.560% * 95.5059% (0.57  10.0   2.32  10.81) =  99.852%  kept
          QB    ALA   64 - HN    ALA   47  10.41 +/- 2.32   2.914% *  4.3889% (0.73   1.0   0.72   0.02) =   0.146%  kept
          HG2   LYS+ 112 - HN    ALA   47  12.75 +/- 3.71   4.690% *  0.0295% (0.18   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  11.45 +/- 0.91   0.835% *  0.0756% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.23, residual support = 34.2:
      O   HB    THR   46 - HN    THR   46   3.51 +/- 0.24  94.467% * 99.3656% (0.25  10.0   3.23  34.23) =  99.986%  kept
          HA    LYS+ 112 - HN    THR   46  13.00 +/- 1.90   3.101% *  0.3045% (0.76   1.0   0.02   0.02) =   0.010%
          HB2   HIS   22 - HN    THR   46  17.84 +/- 4.69   1.727% *  0.1359% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   HIS  122 - HN    THR   46  19.30 +/- 2.89   0.705% *  0.1940% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.6, support = 3.39, residual support = 10.1:
          QG2   THR   77 - HN    THR   46   3.54 +/- 3.05  59.052% * 68.3681% (0.61   3.63  11.21) =  89.885%  kept
          HB3   ASP-  44 - HN    THR   46   5.98 +/- 0.74  19.353% * 13.0342% (0.22   1.88   0.10) =   5.616%  kept
          QB    ALA   88 - HN    THR   46  11.86 +/- 2.43  12.253% * 16.2383% (0.95   0.55   0.02) =   4.430%  kept
          HG2   LYS+ 111 - HN    THR   46  14.86 +/- 2.87   4.051% *  0.4022% (0.65   0.02   0.02) =   0.036%
          HB3   LEU   80 - HN    THR   46  11.00 +/- 3.36   1.965% *  0.2556% (0.41   0.02   0.02) =   0.011%
          HB2   LEU   63 - HN    THR   46  12.47 +/- 2.84   2.106% *  0.1919% (0.31   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    THR   46  19.53 +/- 4.04   0.668% *  0.3520% (0.57   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    THR   46  21.61 +/- 1.49   0.326% *  0.5576% (0.90   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    THR   46  24.37 +/- 1.17   0.227% *  0.6000% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.89 A violated in 0 structures by 0.10 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.23 +/- 2.15  39.880% * 32.0586% (0.99   0.02   0.02) =  52.225%  kept
          QD1   ILE  119 - HN    THR   46  12.81 +/- 1.58  24.094% * 25.8997% (0.80   0.02   0.02) =  25.491%  kept
          HG3   LYS+ 112 - HN    THR   46  13.07 +/- 3.52  27.606% *  9.9831% (0.31   0.02   0.02) =  11.258%  kept
          HB2   LEU  104 - HN    THR   46  17.83 +/- 2.30   8.420% * 32.0586% (0.99   0.02   0.02) =  11.027%  kept
    Distance limit 4.76 A violated in 18 structures by 3.91 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 3.35, residual support = 34.1:
          QG2   THR   46 - HN    THR   46   2.59 +/- 0.35  88.068% * 86.5964% (0.97   3.36  34.23) =  99.748%  kept
          QG2   VAL   18 - HN    THR   46  14.87 +/- 6.00   1.284% * 10.4380% (1.00   0.39   0.02) =   0.175%  kept
          QD1   ILE   19 - HN    THR   46  15.58 +/- 4.60   1.811% *  1.5354% (0.69   0.08   0.02) =   0.036%
          QG1   VAL   43 - HN    THR   46   7.77 +/- 1.17   4.816% *  0.5055% (0.95   0.02   0.02) =   0.032%
          QG1   VAL   41 - HN    THR   46  13.69 +/- 0.85   0.666% *  0.4279% (0.80   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    THR   46   9.94 +/- 2.34   2.499% *  0.0824% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    THR   46  15.96 +/- 2.12   0.470% *  0.2811% (0.53   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    THR   46  17.96 +/- 3.56   0.386% *  0.1332% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 1.55:
          QG1   VAL   75 - HN    THR   46   4.68 +/- 2.83  77.904% * 99.0069% (0.92   1.65   1.56) =  99.716%  kept
          QD1   LEU  115 - HN    THR   46  10.22 +/- 1.91  22.096% *  0.9931% (0.76   0.02   0.02) =   0.284%  kept
    Distance limit 4.60 A violated in 2 structures by 0.63 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.645, support = 3.4, residual support = 28.1:
          HB    THR   94 - HN    PHE   45   3.80 +/- 0.69  73.310% * 93.2463% (0.65   3.41  28.22) =  99.702%  kept
          HA    ALA   88 - HN    PHE   45  14.05 +/- 2.45   6.810% *  1.3398% (0.18   0.18   0.45) =   0.133%  kept
          HA    LYS+  65 - HN    PHE   45  13.50 +/- 2.26   3.454% *  0.7803% (0.92   0.02   0.02) =   0.039%
          QB    SER   48 - HN    PHE   45  10.90 +/- 1.00   3.949% *  0.6460% (0.76   0.02   0.02) =   0.037%
          QB    SER   85 - HN    PHE   45  13.88 +/- 1.82   2.235% *  0.8158% (0.97   0.02   0.02) =   0.027%
          HA2   GLY   16 - HN    PHE   45  21.89 +/- 7.01   1.121% *  0.8158% (0.97   0.02   0.02) =   0.013%
          HD2   PRO   52 - HN    PHE   45  12.36 +/- 1.54   2.894% *  0.2883% (0.34   0.02   0.02) =   0.012%
          HA    ALA  120 - HN    PHE   45  17.73 +/- 2.13   1.002% *  0.7996% (0.95   0.02   0.02) =   0.012%
          HA2   GLY   51 - HN    PHE   45  14.73 +/- 1.57   1.633% *  0.4115% (0.49   0.02   0.02) =   0.010%
          HA    LYS+ 121 - HN    PHE   45  17.78 +/- 2.59   0.981% *  0.4786% (0.57   0.02   0.02) =   0.007%
          QB    SER  117 - HN    PHE   45  13.35 +/- 1.28   1.989% *  0.2108% (0.25   0.02   0.02) =   0.006%
          HA    GLN   32 - HN    PHE   45  21.08 +/- 3.21   0.622% *  0.1673% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.75 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 = 3.61, residual support = 79.7:
      O   HB2   PHE   45 - HN    PHE   45   2.53 +/- 0.44  97.517% * 99.8561% (0.99  10.0   3.61  79.67) =  99.998%  kept
          QE    LYS+ 111 - HN    PHE   45  12.75 +/- 1.72   1.423% *  0.0988% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   CYS   21 - HN    PHE   45  14.81 +/- 4.42   1.060% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 79.7:
      O   HB3   PHE   45 - HN    PHE   45   3.34 +/- 0.39  81.383% * 99.6079% (0.87  10.0   3.93  79.67) =  99.983%  kept
          QE    LYS+ 112 - HN    PHE   45  10.87 +/- 3.19   8.036% *  0.0996% (0.87   1.0   0.02   0.02) =   0.010%
          HB    VAL  107 - HN    PHE   45   8.16 +/- 1.09   7.137% *  0.0515% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   ASP-  86 - HN    PHE   45  13.63 +/- 1.85   1.471% *  0.0919% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HN    PHE   45  13.37 +/- 2.11   1.557% *  0.0431% (0.38   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    PHE   45  21.84 +/- 3.81   0.415% *  0.1060% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 3.53, residual support = 14.2:
          HB3   ASP-  44 - HN    PHE   45   3.82 +/- 0.36  36.844% * 47.4948% (0.49   4.10  17.68) =  68.683%  kept
          QG2   THR   77 - HN    PHE   45   4.95 +/- 1.82  23.560% * 18.9186% (0.31   2.58  10.46) =  17.494%  kept
          QB    ALA   88 - HN    PHE   45  12.24 +/- 2.68   9.143% * 19.5496% (0.69   1.20   0.45) =   7.016%  kept
          HB3   PRO   93 - HN    PHE   45   5.54 +/- 1.05  16.485% * 10.1037% (0.15   2.75   2.80) =   6.537%  kept
          QB    ALA   84 - HN    PHE   45   9.73 +/- 1.62   2.732% *  1.2312% (0.18   0.30   0.02) =   0.132%  kept
          HB2   LEU   63 - HN    PHE   45  10.41 +/- 3.18   4.951% *  0.2887% (0.61   0.02   0.02) =   0.056%
          HB3   LEU   80 - HN    PHE   45  11.97 +/- 3.42   2.361% *  0.3457% (0.73   0.02   0.02) =   0.032%
          HG2   LYS+ 111 - HN    PHE   45  13.00 +/- 1.87   1.233% *  0.4394% (0.92   0.02   0.02) =   0.021%
          HB2   LEU   31 - HN    PHE   45  17.63 +/- 3.74   0.626% *  0.4129% (0.87   0.02   0.02) =   0.010%
          HG2   LYS+  99 - HN    PHE   45  18.48 +/- 1.28   0.374% *  0.4750% (1.00   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    PHE   45  13.31 +/- 2.14   1.185% *  0.1187% (0.25   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HN    PHE   45  22.02 +/- 0.82   0.199% *  0.4594% (0.97   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    PHE   45  19.92 +/- 2.60   0.307% *  0.1624% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.882, support = 1.03, residual support = 7.12:
          QD1   ILE   89 - HN    PHE   45   7.53 +/- 2.07  46.842% * 49.0079% (0.80   1.12  11.48) =  54.240%  kept
          QG2   VAL   83 - HN    PHE   45   8.49 +/- 2.35  38.407% * 50.0752% (0.98   0.93   1.97) =  45.441%  kept
          QD2   LEU   31 - HN    PHE   45  13.06 +/- 3.36  14.752% *  0.9169% (0.84   0.02   0.02) =   0.320%  kept
    Distance limit 4.45 A violated in 13 structures by 2.02 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   3.57 +/- 0.44  86.337% * 98.4414% (1.00   4.10  12.41) =  99.944%  kept
          QE    LYS+ 112 - HN    THR   46  12.20 +/- 3.42   5.773% *  0.4803% (1.00   0.02   0.02) =   0.033%
          HB    VAL  107 - HN    THR   46  11.56 +/- 1.26   3.124% *  0.3854% (0.80   0.02   0.02) =   0.014%
          HB3   ASP-  86 - HN    THR   46  13.61 +/- 1.28   1.918% *  0.2158% (0.45   0.02   0.02) =   0.005%
          HG2   GLU-  29 - HN    THR   46  23.19 +/- 4.70   0.653% *  0.2919% (0.61   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HN    THR   46  14.88 +/- 2.23   1.667% *  0.0651% (0.14   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    THR   46  22.02 +/- 3.49   0.528% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.743, residual support = 7.95:
          HN    CYS   50 - HN    CYS   53   4.77 +/- 0.83  96.899% * 77.1198% (0.87  1.00   0.75   8.02) =  99.059%  kept
        T HN    VAL   83 - HN    CYS   53  18.27 +/- 3.03   3.101% * 22.8802% (0.97 10.00   0.02   0.02) =   0.941%  kept
    Distance limit 4.88 A violated in 0 structures by 0.27 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 55.1:
      O   HA    PRO   52 - HN    CYS   53   3.45 +/- 0.02  96.006% * 99.8358% (0.61  10.0   7.18  55.08) =  99.993%  kept
          HA    LYS+ 111 - HN    CYS   53  12.12 +/- 2.68   3.994% *  0.1642% (1.00   1.0   0.02   0.02) =   0.007%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.77, residual support = 44.1:
      O   HA    CYS   53 - HN    CYS   53   2.73 +/- 0.05  98.744% * 99.7036% (0.90  10.0   4.77  44.06) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  16.50 +/- 2.32   0.591% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  23.66 +/- 4.45   0.187% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  27.05 +/- 4.07   0.145% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  26.85 +/- 4.06   0.129% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  29.05 +/- 2.92   0.103% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.29 +/- 1.48   0.102% *  0.0172% (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 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.352, support = 7.83, residual support = 50.9:
          HD2   PRO   52 - HN    CYS   53   2.28 +/- 0.02  83.493% * 60.8781% (0.34   8.20  55.08) =  92.383%  kept
          HA2   GLY   51 - HN    CYS   53   4.47 +/- 0.22  11.491% * 36.3349% (0.49   3.43   0.25) =   7.589%  kept
          QB    SER   48 - HN    CYS   53   8.79 +/- 1.54   2.410% *  0.3329% (0.76   0.02   0.02) =   0.015%
          HB    THR   94 - HN    CYS   53  12.44 +/- 2.45   0.743% *  0.2818% (0.65   0.02   0.02) =   0.004%
          QB    SER   85 - HN    CYS   53  17.55 +/- 3.84   0.490% *  0.4203% (0.97   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    CYS   53  15.69 +/- 3.43   0.462% *  0.4021% (0.92   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    CYS   53  20.70 +/- 1.42   0.118% *  0.4120% (0.95   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  16.34 +/- 1.96   0.266% *  0.1086% (0.25   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYS   53  17.83 +/- 3.71   0.334% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  27.93 +/- 5.70   0.058% *  0.4203% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.55 +/- 1.34   0.090% *  0.2466% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.32 +/- 2.77   0.044% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.96, support = 4.96, residual support = 44.6:
      O   HB2   CYS   53 - HN    CYS   53   2.37 +/- 0.27  75.066% * 84.8967% (0.98  10.0   4.91  44.06) =  95.094%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.01  22.062% * 14.8966% (0.57   1.0   6.08  55.08) =   4.904%  kept
          HD2   PRO   58 - HN    CYS   53   9.16 +/- 2.06   2.568% *  0.0560% (0.65   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    CYS   53  18.73 +/- 3.05   0.195% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  26.75 +/- 2.53   0.059% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.84 +/- 2.32   0.050% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.91, residual support = 42.5:
      O   HB3   CYS   53 - HN    CYS   53   3.03 +/- 0.50  58.244% * 75.9112% (0.97  10.0   6.10  44.06) =  93.051%  kept
          HD2   ARG+  54 - HN    CYS   53   6.03 +/- 1.27  13.675% * 15.8990% (0.92   1.0   4.38  31.76) =   4.576%  kept
          QB    PHE   55 - HN    CYS   53   5.10 +/- 0.49  14.644% *  6.0179% (0.97   1.0   1.59   0.02) =   1.855%  kept
          HD3   PRO   93 - HN    CYS   53   8.70 +/- 3.31  12.060% *  2.0338% (1.00   1.0   0.52   0.02) =   0.516%  kept
          HB2   PHE   59 - HN    CYS   53  12.52 +/- 1.43   1.082% *  0.0601% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    CYS   53  18.96 +/- 2.46   0.294% *  0.0780% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.686, support = 2.95, residual support = 8.01:
          QB    CYS   50 - HN    CYS   53   3.94 +/- 0.81  85.231% * 98.0446% (0.69   2.96   8.02) =  99.878%  kept
          QE    LYS+  74 - HN    CYS   53  12.06 +/- 3.44   7.531% *  0.7014% (0.73   0.02   0.02) =   0.063%
          HB3   ASP-  78 - HN    CYS   53  13.67 +/- 3.98   5.666% *  0.8068% (0.84   0.02   0.02) =   0.055%
          HB3   ASN   69 - HN    CYS   53  22.73 +/- 3.27   0.759% *  0.2981% (0.31   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    CYS   53  20.38 +/- 1.70   0.814% *  0.1490% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 55.0:
          HG2   PRO   52 - HN    CYS   53   3.06 +/- 0.12  87.402% * 94.9811% (0.25   7.20  55.08) =  99.912%  kept
          HG2   MET   92 - HN    CYS   53  10.80 +/- 3.06   5.878% *  0.8081% (0.76   0.02   0.02) =   0.057%
          QG    GLU- 114 - HN    CYS   53  13.56 +/- 2.08   1.287% *  0.7264% (0.69   0.02   0.02) =   0.011%
          HB2   GLU-  79 - HN    CYS   53  16.72 +/- 3.25   0.748% *  0.6414% (0.61   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    CYS   53  12.32 +/- 1.73   1.607% *  0.2637% (0.25   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    CYS   53  12.97 +/- 2.90   1.713% *  0.1431% (0.14   0.02   0.02) =   0.003%
          QB    MET   11 - HN    CYS   53  29.18 +/- 6.61   0.254% *  0.8467% (0.80   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    CYS   53  17.56 +/- 3.26   0.705% *  0.1852% (0.18   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    CYS   53  25.82 +/- 3.94   0.175% *  0.3607% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  32.81 +/- 2.19   0.076% *  0.8081% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  26.64 +/- 3.50   0.155% *  0.2354% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 0.937, support = 7.02, residual support = 53.8:
          HG3   PRO   52 - HN    CYS   53   4.23 +/- 0.08  49.012% * 90.6592% (0.98   7.20  55.08) =  94.698%  kept
          HB2   ARG+  54 - HN    CYS   53   5.20 +/- 0.66  29.422% *  8.3645% (0.18   3.72  31.76) =   5.245%  kept
          HB2   PRO   93 - HN    CYS   53   8.87 +/- 2.82  14.366% *  0.1056% (0.41   0.02   0.02) =   0.032%
          HG2   PRO   58 - HN    CYS   53  11.33 +/- 1.86   3.838% *  0.2517% (0.98   0.02   0.02) =   0.021%
          HB    VAL  108 - HN    CYS   53  15.37 +/- 3.63   2.541% *  0.0347% (0.14   0.02   0.02) =   0.002%
          HG2   MET   11 - HN    CYS   53  33.20 +/- 6.83   0.210% *  0.2568% (1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    CYS   53  29.67 +/- 3.71   0.161% *  0.2562% (1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    CYS   53  21.62 +/- 2.79   0.449% *  0.0714% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.49 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 = 0.667, support = 7.26, residual support = 53.2:
      O   HB3   PRO   52 - HN    CYS   53   3.78 +/- 0.43  59.397% * 77.7379% (0.65  10.0   7.55  55.08) =  91.862%  kept
          HG2   ARG+  54 - HN    CYS   53   5.72 +/- 0.53  19.026% * 21.4414% (0.90   1.0   3.98  31.76) =   8.116%  kept
          HB    ILE   56 - HN    CYS   53   7.89 +/- 1.22  11.131% *  0.0238% (0.20   1.0   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    CYS   53  16.17 +/- 3.43   3.000% *  0.0680% (0.57   1.0   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    CYS   53  14.13 +/- 3.75   2.344% *  0.0825% (0.69   1.0   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    CYS   53  20.31 +/- 3.53   1.208% *  0.1042% (0.87   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    CYS   53  15.97 +/- 3.62   1.656% *  0.0729% (0.61   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    CYS   53  20.55 +/- 2.67   0.444% *  0.1137% (0.95   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    CYS   53  23.35 +/- 3.27   0.444% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    CYS   53  21.00 +/- 2.31   0.432% *  0.0777% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  26.23 +/- 2.12   0.198% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.59 +/- 2.60   0.390% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.84 +/- 1.21   0.330% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 5.86, residual support = 43.8:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.18  79.347% * 95.7627% (0.78 10.00   5.88  44.03) =  99.152%  kept
          HN    ALA   34 - HN    LEU   31   4.57 +/- 0.41  18.283% *  3.5488% (0.14  1.00   4.01  14.95) =   0.847%  kept
        T HN    GLN   32 - HN    PHE   55  28.27 +/- 2.59   0.086% *  0.4672% (0.38 10.00   0.02   0.02) =   0.001%
          HN    SER   85 - HN    LEU   31  23.85 +/- 6.86   0.280% *  0.1144% (0.93  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.20 +/- 4.07   0.466% *  0.0558% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  11.96 +/- 1.73   1.119% *  0.0139% (0.11  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.76 +/- 3.18   0.339% *  0.0286% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.90 +/- 1.95   0.080% *  0.0086% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 7.04, residual support = 49.7:
        T HN    GLN   30 - HN    LEU   31   2.57 +/- 0.14  81.207% * 78.2920% (0.53 10.00   7.25  52.29) =  94.919%  kept
          HN    GLU-  29 - HN    LEU   31   4.42 +/- 0.22  16.145% * 21.0697% (0.91  1.00   3.11   0.41) =   5.079%  kept
          HN    VAL   18 - HN    LEU   31  12.51 +/- 2.78   1.780% *  0.0384% (0.26  1.00   0.02   0.02) =   0.001%
        T HN    GLN   30 - HN    PHE   55  26.69 +/- 2.69   0.086% *  0.3819% (0.26 10.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LEU   31  23.38 +/- 7.08   0.331% *  0.0895% (0.60  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.00 +/- 3.77   0.229% *  0.0436% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.70 +/- 3.28   0.083% *  0.0661% (0.44  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  23.59 +/- 5.32   0.140% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.481, support = 3.26, residual support = 20.7:
      O   HA    PHE   55 - HN    PHE   55   2.81 +/- 0.08  73.191% * 96.9996% (0.48  10.0   3.27  20.70) =  99.779%  kept
          HA    TRP   27 - HN    LEU   31   4.62 +/- 0.47  18.262% *  0.5294% (0.13   1.0   0.39  26.15) =   0.136%  kept
          HA    ALA  110 - HN    PHE   55  10.33 +/- 3.05   3.170% *  1.7535% (0.71   1.0   0.24   0.61) =   0.078%
          HA    VAL  107 - HN    PHE   55  15.14 +/- 3.13   2.871% *  0.0905% (0.45   1.0   0.02   0.02) =   0.004%
          HA    GLN   90 - HN    PHE   55  16.03 +/- 2.76   0.610% *  0.1281% (0.64   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  13.83 +/- 2.62   0.894% *  0.0657% (0.33   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  25.15 +/- 5.57   0.168% *  0.0970% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.25 +/- 2.44   0.232% *  0.0686% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  23.95 +/- 2.08   0.129% *  0.1086% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  23.94 +/- 5.52   0.250% *  0.0498% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.01 +/- 2.71   0.097% *  0.0735% (0.37   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  24.36 +/- 2.84   0.127% *  0.0356% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.786, support = 3.02, residual support = 20.4:
      O   QB    PHE   55 - HN    PHE   55   2.08 +/- 0.12  83.965% * 82.2045% (0.79  10.0   3.02  20.70) =  98.349%  kept
          HD2   ARG+  54 - HN    PHE   55   4.95 +/- 0.40   7.003% * 14.0560% (0.69   1.0   3.91   4.05) =   1.403%  kept
          HB3   CYS   53 - HN    PHE   55   5.28 +/- 0.33   5.433% *  3.1518% (0.73   1.0   0.82   0.02) =   0.244%  kept
          HD3   PRO   93 - HN    PHE   55   9.58 +/- 2.82   1.983% *  0.0828% (0.79   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HN    PHE   55  10.42 +/- 1.03   0.755% *  0.0693% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    LEU   31  16.61 +/- 3.26   0.264% *  0.0628% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  18.64 +/- 2.45   0.157% *  0.0829% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.96 +/- 3.81   0.125% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  19.99 +/- 3.27   0.145% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  23.49 +/- 2.79   0.067% *  0.0580% (0.56   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.96 +/- 2.32   0.062% *  0.0623% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.94 +/- 3.08   0.039% *  0.0545% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.326, support = 3.55, residual support = 8.96:
      O   HA    ARG+  54 - HN    PHE   55   3.51 +/- 0.06  40.250% * 65.7289% (0.25  10.0   3.27   4.05) =  68.123%  kept
          HA    ASN   28 - HN    LEU   31   3.45 +/- 0.26  42.673% * 28.4958% (0.50   1.0   4.23  19.79) =  31.312%  kept
          HA    THR   26 - HN    LEU   31   7.11 +/- 0.56   5.152% *  3.9133% (0.39   1.0   0.75   0.02) =   0.519%  kept
          HA    ALA   34 - HN    LEU   31   6.80 +/- 0.55   5.966% *  0.1557% (0.58   1.0   0.02  14.95) =   0.024%
          HA1   GLY  101 - HN    LEU   31  13.83 +/- 4.21   2.449% *  0.1610% (0.60   1.0   0.02   0.02) =   0.010%
          HA    LEU  115 - HN    PHE   55  12.66 +/- 1.53   0.995% *  0.1847% (0.69   1.0   0.02   2.36) =   0.005%
          HA    GLU- 114 - HN    PHE   55  14.54 +/- 1.83   0.651% *  0.2014% (0.75   1.0   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    LEU   31  20.18 +/- 2.79   0.298% *  0.1399% (0.52   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU   31  21.05 +/- 6.94   0.745% *  0.0359% (0.13   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  23.48 +/- 3.27   0.172% *  0.1526% (0.57   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    PHE   55  26.14 +/- 3.07   0.132% *  0.1779% (0.66   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  27.69 +/- 1.61   0.086% *  0.2055% (0.77   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  29.79 +/- 2.46   0.072% *  0.2125% (0.79   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  27.84 +/- 3.76   0.098% *  0.1378% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  25.36 +/- 3.17   0.133% *  0.0498% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.36 +/- 1.91   0.128% *  0.0474% (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 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.15, residual support = 231.9:
      O   HA    LEU   31 - HN    LEU   31   2.77 +/- 0.06  99.865% * 99.9512% (0.60  10.0   7.15 231.88) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.96 +/- 2.36   0.135% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.5, support = 5.98, residual support = 43.3:
          HB2   GLN   30 - HN    LEU   31   3.39 +/- 0.39  36.968% * 34.2844% (0.48   6.22  52.29) =  49.529%  kept
          HG3   GLN   30 - HN    LEU   31   4.75 +/- 0.66  16.520% * 49.2556% (0.60   7.21  52.29) =  31.799%  kept
          HB2   ARG+  54 - HN    PHE   55   3.51 +/- 0.42  33.074% * 14.4135% (0.39   3.26   4.05) =  18.629%  kept
          HB3   GLU- 100 - HN    LEU   31  12.76 +/- 3.07   1.544% *  0.1195% (0.52   0.02   0.02) =   0.007%
          HB2   LYS+ 111 - HN    PHE   55  12.16 +/- 2.22   1.409% *  0.1030% (0.45   0.02   0.02) =   0.006%
          HB    VAL  108 - HN    PHE   55  15.69 +/- 3.37   1.142% *  0.1030% (0.45   0.02   0.02) =   0.005%
          HB2   PRO   93 - HN    PHE   55   9.42 +/- 2.36   2.655% *  0.0405% (0.18   0.02   0.02) =   0.004%
          QB    GLU-  15 - HN    LEU   31  12.14 +/- 2.63   1.269% *  0.0671% (0.29   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    LEU   31  13.01 +/- 2.79   1.246% *  0.0671% (0.29   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    PHE   55  14.27 +/- 1.53   0.565% *  0.1456% (0.64   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    LEU   31  17.12 +/- 4.03   0.620% *  0.1195% (0.52   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.37 +/- 0.49   1.276% *  0.0425% (0.19   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    LEU   31  20.12 +/- 4.28   0.286% *  0.1103% (0.48   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    PHE   55  21.07 +/- 2.74   0.173% *  0.1578% (0.69   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    PHE   55  26.02 +/- 2.78   0.084% *  0.1803% (0.79   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  25.16 +/- 2.36   0.091% *  0.1456% (0.64   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  21.56 +/- 2.84   0.169% *  0.0780% (0.34   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    LEU   31  20.56 +/- 3.50   0.425% *  0.0307% (0.13   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  25.55 +/- 4.80   0.096% *  0.0885% (0.39   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  25.39 +/- 3.46   0.092% *  0.0885% (0.39   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.56 +/- 2.00   0.049% *  0.1578% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  25.48 +/- 2.53   0.090% *  0.0780% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  27.34 +/- 3.25   0.082% *  0.0671% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  28.59 +/- 4.15   0.075% *  0.0561% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 7.15, residual support = 231.8:
      O   HB2   LEU   31 - HN    LEU   31   2.66 +/- 0.16  79.364% * 98.5368% (0.78  10.0   7.15 231.88) =  99.983%  kept
          HG    LEU   98 - HN    LEU   31  12.14 +/- 3.48   2.569% *  0.1023% (0.81   1.0   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    PHE   55   9.28 +/- 2.66   3.249% *  0.0418% (0.33   1.0   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LEU   31  12.24 +/- 3.02   1.996% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  15.64 +/- 3.21   0.943% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  11.07 +/- 2.20   2.224% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  12.54 +/- 2.83   1.816% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  18.26 +/- 6.00   0.711% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  20.18 +/- 7.67   0.691% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   55  14.71 +/- 3.08   1.750% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  15.97 +/- 2.93   0.499% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  12.70 +/- 1.71   0.924% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LEU   31  20.33 +/- 3.22   0.492% *  0.0857% (0.68   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  13.66 +/- 1.18   0.641% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  19.39 +/- 4.96   0.396% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  19.71 +/- 2.98   0.358% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  25.46 +/- 3.02   0.110% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  20.88 +/- 1.64   0.181% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.19 +/- 2.87   0.387% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  23.67 +/- 2.42   0.126% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.52 +/- 2.88   0.105% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.61 +/- 3.04   0.327% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.54 +/- 2.23   0.077% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  30.62 +/- 2.75   0.060% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.15, residual support = 231.8:
      O   HB3   LEU   31 - HN    LEU   31   3.52 +/- 0.05  70.290% * 99.4260% (0.83  10.0   7.15 231.88) =  99.983%  kept
          QB    ALA   20 - HN    LEU   31   9.56 +/- 1.57   5.150% *  0.0994% (0.83   1.0   0.02   0.02) =   0.007%
          HD3   LYS+ 112 - HN    PHE   55   8.92 +/- 2.51   9.363% *  0.0167% (0.14   1.0   0.02   0.79) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.93 +/- 0.46   4.471% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    LEU   31  18.79 +/- 3.97   1.021% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    PHE   55  13.51 +/- 1.71   1.560% *  0.0499% (0.42   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  10.84 +/- 2.33   4.279% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    LEU   31  18.74 +/- 5.72   0.962% *  0.0583% (0.49   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    LEU   31  16.75 +/- 2.25   0.870% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  19.46 +/- 3.48   0.536% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.78 +/- 2.09   0.433% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.12 +/- 4.26   0.338% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.05 +/- 2.91   0.216% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.63 +/- 3.52   0.512% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.632, support = 7.36, residual support = 217.3:
          HG    LEU   31 - HN    LEU   31   2.45 +/- 0.45  72.576% * 64.9209% (0.64   7.69 231.88) =  93.271%  kept
          QD1   ILE   56 - HN    PHE   55   5.28 +/- 1.05  12.106% * 20.1338% (0.45   3.39  20.94) =   4.825%  kept
          QD2   LEU   73 - HN    LEU   31   7.83 +/- 3.47   6.734% * 14.2039% (0.78   1.38   1.31) =   1.893%  kept
          QG1   VAL   41 - HN    LEU   31   8.08 +/- 2.80   6.416% *  0.0430% (0.16   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    PHE   55  15.35 +/- 4.06   1.066% *  0.1001% (0.38   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LEU   31  18.17 +/- 5.69   0.428% *  0.1688% (0.64   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   31  18.62 +/- 2.21   0.223% *  0.2436% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  20.79 +/- 2.36   0.204% *  0.0824% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  25.30 +/- 2.69   0.090% *  0.0824% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.07 +/- 1.32   0.159% *  0.0210% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.9, residual support = 231.8:
          QD2   LEU   31 - HN    LEU   31   1.97 +/- 0.37  96.864% * 97.7521% (0.18   6.91 231.88) =  99.957%  kept
          QG2   VAL   43 - HN    LEU   31  10.87 +/- 3.97   2.692% *  1.4180% (0.92   0.02   0.02) =   0.040%
          QG2   VAL   43 - HN    PHE   55  14.90 +/- 1.69   0.304% *  0.6917% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    PHE   55  20.41 +/- 2.38   0.141% *  0.1381% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.688, support = 1.37, residual support = 0.958:
          QD1   LEU   73 - HN    LEU   31   7.24 +/- 4.30  32.424% * 36.0380% (0.60   1.72   1.31) =  60.479%  kept
          QD1   LEU  104 - HN    LEU   31  11.14 +/- 3.53  13.098% * 35.2240% (0.92   1.10   0.50) =  23.879%  kept
          QD1   LEU   63 - HN    LEU   31  12.52 +/- 3.48  14.242% * 11.9419% (0.60   0.57   0.02) =   8.803%  kept
          QD2   LEU   80 - HN    LEU   31  15.51 +/- 7.49   8.294% * 11.1167% (0.90   0.36   0.02) =   4.772%  kept
          QD2   LEU  115 - HN    PHE   55   9.22 +/- 2.03   9.803% *  3.4137% (0.43   0.23   2.36) =   1.732%  kept
          QG1   VAL   83 - HN    LEU   31  16.48 +/- 6.57   5.368% *  0.4195% (0.60   0.02   0.02) =   0.117%  kept
          QD1   LEU   73 - HN    PHE   55  15.94 +/- 4.88   8.315% *  0.2046% (0.29   0.02   0.02) =   0.088%
          QD2   LEU  115 - HN    LEU   31  17.14 +/- 2.73   1.403% *  0.6134% (0.88   0.02   0.02) =   0.045%
          QD1   LEU   63 - HN    PHE   55  12.04 +/- 1.76   3.255% *  0.2046% (0.29   0.02   0.02) =   0.034%
          QD2   LEU   80 - HN    PHE   55  17.26 +/- 2.05   1.510% *  0.3053% (0.44   0.02   0.02) =   0.024%
          QG1   VAL   83 - HN    PHE   55  16.80 +/- 3.13   1.623% *  0.2046% (0.29   0.02   0.02) =   0.017%
          QD1   LEU  104 - HN    PHE   55  20.14 +/- 2.44   0.666% *  0.3135% (0.45   0.02   0.02) =   0.011%
    Distance limit 4.85 A violated in 0 structures by 0.18 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.664, support = 8.17, residual support = 51.6:
          HB3   GLN   30 - HN    LEU   31   2.87 +/- 0.44  74.981% * 88.1322% (0.68   8.27  52.29) =  97.798%  kept
          HB    ILE   56 - HN    PHE   55   5.47 +/- 0.73  14.551% * 10.1379% (0.17   3.77  20.94) =   2.183%  kept
          HB3   PRO   58 - HN    PHE   55   9.94 +/- 1.19   2.460% *  0.1404% (0.44   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    PHE   55  12.34 +/- 2.67   2.245% *  0.1243% (0.39   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    LEU   31  11.64 +/- 1.98   1.470% *  0.1545% (0.49   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    LEU   31  14.60 +/- 3.06   0.948% *  0.1102% (0.35   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    LEU   31  22.89 +/- 3.84   0.297% *  0.2878% (0.91   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    LEU   31  20.07 +/- 4.31   0.457% *  0.1662% (0.53   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.15 +/- 3.19   1.225% *  0.0453% (0.14   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  23.71 +/- 4.04   0.214% *  0.2547% (0.81   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  23.09 +/- 2.67   0.238% *  0.1102% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  25.15 +/- 2.38   0.148% *  0.1040% (0.33   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  33.12 +/- 7.60   0.155% *  0.0811% (0.26   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.88 +/- 1.82   0.424% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  29.66 +/- 2.92   0.083% *  0.0754% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  29.08 +/- 3.71   0.102% *  0.0538% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 6.3, residual support = 44.5:
          HG2   GLN   30 - HN    LEU   31   4.69 +/- 0.43  55.216% * 69.0746% (0.49   7.56  52.29) =  75.992%  kept
          HB3   ASN   28 - HN    LEU   31   5.30 +/- 0.38  39.323% * 30.6367% (0.71   2.31  19.79) =  24.003%  kept
          QE    LYS+ 121 - HN    LEU   31  16.62 +/- 4.89   2.698% *  0.0470% (0.13   0.02   0.02) =   0.003%
          HB3   ASN   28 - HN    PHE   55  28.08 +/- 3.60   0.394% *  0.1295% (0.35   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    PHE   55  18.78 +/- 2.52   2.012% *  0.0229% (0.06   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    PHE   55  25.83 +/- 2.53   0.357% *  0.0892% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.07 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.65, residual support = 52.1:
      O   HA    GLN   30 - HN    LEU   31   3.60 +/- 0.04  56.801% * 98.0732% (0.64  10.0   6.67  52.29) =  99.671%  kept
          HB2   CYS   53 - HN    PHE   55   5.19 +/- 0.18  19.254% *  0.8643% (0.13   1.0   0.89   0.02) =   0.298%  kept
          HD3   PRO   52 - HN    PHE   55   6.57 +/- 0.40   9.775% *  0.0532% (0.35   1.0   0.02   0.41) =   0.009%
          QB    SER   13 - HN    LEU   31  13.06 +/- 4.03   3.319% *  0.1091% (0.71   1.0   0.02   0.02) =   0.006%
          HB    THR   39 - HN    LEU   31  10.90 +/- 1.71   2.716% *  0.1037% (0.68   1.0   0.02   0.02) =   0.005%
          HB3   SER   37 - HN    LEU   31  10.84 +/- 1.30   2.417% *  0.0808% (0.53   1.0   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    LEU   31  21.85 +/- 8.74   1.377% *  0.1399% (0.91   1.0   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    PHE   55  16.20 +/- 3.12   0.997% *  0.0394% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    PHE   55  22.49 +/- 4.11   0.462% *  0.0683% (0.44   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    LEU   31  18.60 +/- 3.71   0.725% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  24.72 +/- 4.90   0.275% *  0.0808% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.67 +/- 1.51   0.973% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  28.04 +/- 2.78   0.131% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.33 +/- 3.62   0.175% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  24.20 +/- 2.55   0.211% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  27.35 +/- 2.33   0.140% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  27.28 +/- 2.50   0.144% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.73 +/- 2.15   0.107% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 6.63, residual support = 170.8:
      O   HA    ARG+  54 - HN    ARG+  54   2.74 +/- 0.05  87.241% * 99.0002% (0.61  10.0   6.63 170.76) =  99.995%  kept
          HA    LEU  115 - HN    ARG+  54  14.14 +/- 1.55   0.734% *  0.1527% (0.94   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.57 +/- 1.54   2.949% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HN    ARG+  54  17.70 +/- 3.94   2.189% *  0.0268% (0.17   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ARG+  54  16.33 +/- 1.89   0.488% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62  10.00 +/- 1.68   2.451% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    ARG+  54  25.91 +/- 3.13   0.128% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  19.72 +/- 3.52   0.489% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.27 +/- 1.38   0.731% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.66 +/- 1.81   0.090% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.95 +/- 2.90   0.083% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  25.67 +/- 1.63   0.112% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.37 +/- 1.81   0.270% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.81 +/- 1.51   0.413% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  27.51 +/- 3.82   0.113% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  20.60 +/- 5.04   1.059% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  24.33 +/- 1.98   0.132% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  21.18 +/- 4.09   0.327% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.11, residual support = 85.7:
      O   HB2   TRP   49 - HN    TRP   49   3.56 +/- 0.29  94.025% * 99.6106% (0.98  10.0   4.11  85.66) =  99.994%  kept
          HA    ALA   84 - HN    TRP   49  13.39 +/- 2.67   2.712% *  0.1007% (0.99   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    TRP   49  16.09 +/- 3.51   2.186% *  0.0911% (0.90   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    TRP   49  21.11 +/- 2.53   0.641% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  22.42 +/- 1.71   0.436% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.996, support = 2.52, residual support = 16.0:
          QB    ALA   47 - HE1   TRP   49   3.50 +/- 1.79  62.654% * 98.5530% (1.00   2.53  15.99) =  99.868%  kept
          QB    ALA   64 - HE1   TRP   49  12.13 +/- 5.08  32.968% *  0.1548% (0.20   0.02   0.02) =   0.083%
          QG1   VAL   42 - HE1   TRP   49  13.56 +/- 2.80   3.169% *  0.7549% (0.97   0.02   0.02) =   0.039%
          HG2   LYS+ 112 - HE1   TRP   49  15.45 +/- 3.74   1.208% *  0.5373% (0.69   0.02   0.02) =   0.011%
    Distance limit 4.61 A violated in 3 structures by 0.45 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.72, residual support = 16.0:
          QB    ALA   47 - HN    TRP   49   2.68 +/- 0.43  92.344% * 99.0138% (1.00   3.72  15.99) =  99.982%  kept
          QG1   VAL   42 - HN    TRP   49  14.37 +/- 1.88   1.082% *  0.5145% (0.97   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    TRP   49  15.94 +/- 3.48   1.501% *  0.3662% (0.69   0.02   0.02) =   0.006%
          QB    ALA   64 - HN    TRP   49  12.61 +/- 3.78   5.074% *  0.1055% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 0.177, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.30 +/- 1.24  56.793% * 72.6880% (0.90   0.18   0.02) =  95.108%  kept
          HD3   PRO   52 - HN    ALA   47   7.56 +/- 1.53  24.898% *  3.6085% (0.41   0.02   0.02) =   2.070%  kept
          HD2   PRO   58 - HN    ALA   47  11.92 +/- 3.34  12.339% *  7.0283% (0.80   0.02   0.02) =   1.998%  kept
          HA    VAL   83 - HN    ALA   47  14.63 +/- 1.46   3.999% *  6.3736% (0.73   0.02   0.02) =   0.587%  kept
          HA    GLU- 100 - HN    ALA   47  25.78 +/- 2.41   1.060% *  6.0292% (0.69   0.02   0.02) =   0.147%  kept
          HA    GLN   30 - HN    ALA   47  23.71 +/- 3.27   0.910% *  4.2724% (0.49   0.02   0.02) =   0.090%
    Distance limit 4.51 A violated in 3 structures by 0.83 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 = 3.11, residual support = 39.1:
      O   HB2   ASP-  44 - HN    ASP-  44   2.71 +/- 0.44  84.837% * 96.1772% (0.87  10.0   3.12  39.18) =  99.676%  kept
          HB3   PHE   72 - HN    ASP-  44   7.22 +/- 1.72   7.737% *  3.3731% (0.76   1.0   0.80   0.02) =   0.319%  kept
          QG    GLN   90 - HN    ASP-  44  14.32 +/- 2.26   2.546% *  0.0762% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    ASP-  44  17.49 +/- 5.40   0.676% *  0.1049% (0.95   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  12.27 +/- 2.40   1.369% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  18.95 +/- 4.26   0.465% *  0.0926% (0.84   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ASP-  44  22.56 +/- 4.93   0.349% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  12.34 +/- 1.93   1.747% *  0.0194% (0.18   1.0   0.02   0.48) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.70 +/- 1.95   0.274% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.839, support = 1.14, residual support = 3.01:
          HB2   LEU   73 - HN    ASP-  44   7.32 +/- 2.91  30.301% * 67.1204% (0.87   1.25   3.39) =  87.389%  kept
          HB3   MET   92 - HN    ASP-  44  11.60 +/- 1.83   9.255% * 21.7227% (0.73   0.48   0.48) =   8.639%  kept
          HG3   PRO   93 - HN    ASP-  44  10.69 +/- 1.74  10.548% *  3.7729% (0.31   0.20   0.02) =   1.710%  kept
          HB    ILE   89 - HN    ASP-  44  13.18 +/- 2.73   7.081% *  2.2125% (0.15   0.23   0.02) =   0.673%  kept
          QD    LYS+ 106 - HN    ASP-  44  10.89 +/- 1.89  12.784% *  1.2106% (0.98   0.02   0.02) =   0.665%  kept
          QG1   ILE   56 - HN    ASP-  44  10.27 +/- 1.58  11.916% *  0.7491% (0.61   0.02   0.02) =   0.384%  kept
          QD    LYS+  99 - HN    ASP-  44  14.26 +/- 1.75   5.012% *  1.2241% (0.99   0.02   0.02) =   0.264%  kept
          HB3   LYS+  99 - HN    ASP-  44  14.93 +/- 1.44   4.238% *  0.6011% (0.49   0.02   0.02) =   0.109%  kept
          HD2   LYS+ 111 - HN    ASP-  44  17.21 +/- 2.31   2.813% *  0.7491% (0.61   0.02   0.02) =   0.091%
          HB2   LEU  123 - HN    ASP-  44  18.72 +/- 2.99   2.337% *  0.4213% (0.34   0.02   0.02) =   0.042%
          QD    LYS+ 102 - HN    ASP-  44  16.06 +/- 1.71   3.713% *  0.2163% (0.18   0.02   0.02) =   0.035%
    Distance limit 4.65 A violated in 12 structures by 1.74 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.562, support = 1.15, residual support = 4.39:
          HB2   LYS+  74 - HN    ASP-  44   7.79 +/- 2.89  29.863% * 62.9582% (0.65   1.15   4.49) =  73.622%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.80 +/- 3.03  21.298% * 28.8629% (0.28   1.23   4.49) =  24.071%  kept
          QG2   THR   26 - HN    ASP-  44  13.11 +/- 3.68  11.021% *  1.5122% (0.90   0.02   0.02) =   0.653%  kept
          HG2   LYS+  65 - HN    ASP-  44  12.90 +/- 2.45   8.115% *  1.5950% (0.95   0.02   0.02) =   0.507%  kept
          QD    LYS+  66 - HN    ASP-  44  13.86 +/- 1.89   6.287% *  1.5122% (0.90   0.02   0.02) =   0.372%  kept
          HD2   LYS+ 121 - HN    ASP-  44  15.38 +/- 3.12   4.672% *  1.6527% (0.98   0.02   0.02) =   0.302%  kept
          HG    LEU  104 - HN    ASP-  44  14.22 +/- 2.00   7.600% *  0.6932% (0.41   0.02   0.02) =   0.206%  kept
          HB3   LYS+ 121 - HN    ASP-  44  15.03 +/- 3.27   5.821% *  0.6932% (0.41   0.02   0.02) =   0.158%  kept
          HB3   LYS+ 111 - HN    ASP-  44  14.88 +/- 1.52   5.324% *  0.5204% (0.31   0.02   0.02) =   0.109%  kept
    Distance limit 4.79 A violated in 13 structures by 1.81 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.99, support = 3.85, residual support = 39.0:
      O   HB3   ASP-  44 - HN    ASP-  44   3.30 +/- 0.38  65.405% * 95.6660% (0.99  10.0   3.86  39.18) =  99.479%  kept
          HB3   PRO   93 - HN    ASP-  44   8.58 +/- 1.66   8.482% *  3.6319% (0.84   1.0   0.90   0.02) =   0.490%  kept
          HB2   LEU   63 - HN    ASP-  44   9.24 +/- 2.98  10.504% *  0.0913% (0.95   1.0   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    ASP-  44  11.47 +/- 2.15   2.993% *  0.0913% (0.95   1.0   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    ASP-  44  12.44 +/- 4.04   3.000% *  0.0837% (0.87   1.0   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    ASP-  44  11.52 +/- 1.48   2.054% *  0.0837% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ASP-  44  14.45 +/- 4.05   1.303% *  0.0701% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ASP-  44  11.27 +/- 1.59   2.354% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  18.86 +/- 3.28   0.512% *  0.0957% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  15.84 +/- 2.17   0.736% *  0.0624% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  16.30 +/- 1.44   0.655% *  0.0362% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  15.11 +/- 2.64   1.052% *  0.0191% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.63 +/- 0.89   0.414% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.57 +/- 1.75   0.535% *  0.0149% (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 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.75, residual support = 16.1:
          QG1   VAL   43 - HN    ASP-  44   3.99 +/- 0.62  51.872% * 92.3808% (0.90   4.82  16.37) =  98.419%  kept
          QG2   THR   46 - HN    ASP-  44   5.59 +/- 0.72  22.652% *  1.9896% (0.99   0.09   0.10) =   0.926%  kept
          QG1   VAL   41 - HN    ASP-  44   8.99 +/- 0.74   5.619% *  4.5328% (0.73   0.29   0.02) =   0.523%  kept
          QG2   VAL   18 - HN    ASP-  44  11.45 +/- 6.08   8.832% *  0.4264% (1.00   0.02   0.02) =   0.077%
          QD1   ILE   19 - HN    ASP-  44  11.83 +/- 4.35   5.407% *  0.3266% (0.76   0.02   0.02) =   0.036%
          QD2   LEU  104 - HN    ASP-  44  12.11 +/- 1.78   2.511% *  0.2592% (0.61   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    ASP-  44  12.87 +/- 3.49   3.107% *  0.0846% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.643, support = 3.86, residual support = 16.2:
          QG2   VAL   43 - HN    ASP-  44   3.41 +/- 0.52  80.840% * 88.3013% (0.65   3.90  16.37) =  98.926%  kept
          QG2   VAL   83 - HN    ASP-  44   9.57 +/- 2.54   7.291% *  6.8111% (0.31   0.63   0.02) =   0.688%  kept
          QD1   ILE   89 - HN    ASP-  44  10.01 +/- 2.25   5.623% *  4.3525% (0.14   0.92   0.02) =   0.339%  kept
          QD2   LEU   31 - HN    ASP-  44  10.39 +/- 3.74   6.246% *  0.5351% (0.76   0.02   0.02) =   0.046%
    Distance limit 3.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.522, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   7.76 +/- 0.47  77.715% * 36.5033% (0.53   0.02   0.02) =  79.986%  kept
          HA    ASP-  78 - HN    VAL   43  15.42 +/- 1.74  11.254% * 42.0822% (0.61   0.02   0.02) =  13.353%  kept
          HA    THR   23 - HN    VAL   43  16.79 +/- 2.87  11.031% * 21.4145% (0.31   0.02   0.02) =   6.660%  kept
    Distance limit 4.69 A violated in 20 structures by 3.02 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 = 15.8:
          HA    MET   96 - HN    VAL   43   4.68 +/- 0.51 100.000% *100.0000% (0.53   1.50  15.78) = 100.000%  kept
    Distance limit 4.68 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 2.95, residual support = 15.8:
          HB2   MET   96 - HN    VAL   43   2.80 +/- 0.89  84.041% * 97.4132% (0.97   2.96  15.78) =  99.912%  kept
          HB    VAL   70 - HN    VAL   43   8.96 +/- 1.70   6.184% *  0.6123% (0.90   0.02   0.02) =   0.046%
          QG    GLN   17 - HN    VAL   43  15.59 +/- 5.37   2.277% *  0.5702% (0.84   0.02   0.02) =   0.016%
          HB2   ASP- 105 - HN    VAL   43   9.57 +/- 1.41   3.637% *  0.1898% (0.28   0.02   0.02) =   0.008%
          HB3   ASP-  76 - HN    VAL   43  12.59 +/- 2.35   2.056% *  0.3323% (0.49   0.02   0.02) =   0.008%
          HG2   GLU- 100 - HN    VAL   43  13.98 +/- 1.48   1.120% *  0.3865% (0.57   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HN    VAL   43  18.77 +/- 3.16   0.686% *  0.4957% (0.73   0.02   0.02) =   0.004%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 61.8:
      O   HB    VAL   43 - HN    VAL   43   2.97 +/- 0.58  93.928% * 99.7821% (0.87  10.0   4.23  61.83) =  99.996%  kept
          HB2   LYS+  99 - HN    VAL   43  10.42 +/- 1.15   2.906% *  0.0879% (0.76   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    VAL   43  17.44 +/- 2.46   0.737% *  0.0921% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    VAL   43  14.77 +/- 2.82   1.441% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  17.14 +/- 5.52   0.989% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.808, support = 5.39, residual support = 38.9:
          HB    VAL   42 - HN    VAL   43   4.41 +/- 0.20  30.576% * 77.8992% (0.84   5.70  41.24) =  92.271%  kept
          HB3   ASP-  44 - HN    VAL   43   6.30 +/- 0.67  12.021% *  9.7761% (0.25   2.40  16.37) =   4.553%  kept
          HB3   LEU   73 - HN    VAL   43   8.51 +/- 2.23   7.441% *  9.9266% (0.90   0.68   2.81) =   2.861%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.18 +/- 1.54   7.639% *  0.3266% (1.00   0.02   0.02) =   0.097%
          HG    LEU   98 - HN    VAL   43   7.73 +/- 2.05  11.880% *  0.1593% (0.49   0.02   0.02) =   0.073%
          HB3   PRO   93 - HN    VAL   43  10.41 +/- 1.80   5.284% *  0.2117% (0.65   0.02   0.02) =   0.043%
          QB    LEU   98 - HN    VAL   43   6.14 +/- 0.95  13.394% *  0.0573% (0.18   0.02   0.02) =   0.030%
          HG3   LYS+ 102 - HN    VAL   43  13.87 +/- 1.75   1.184% *  0.3021% (0.92   0.02   0.02) =   0.014%
          HB2   LEU   63 - HN    VAL   43   9.99 +/- 2.25   5.207% *  0.0573% (0.18   0.02   0.02) =   0.012%
          HG3   LYS+  33 - HN    VAL   43  14.54 +/- 2.63   1.119% *  0.2501% (0.76   0.02   0.02) =   0.011%
          HG3   LYS+  65 - HN    VAL   43  14.70 +/- 1.69   1.021% *  0.2734% (0.84   0.02   0.02) =   0.011%
          QB    ALA   84 - HN    VAL   43  13.26 +/- 1.72   1.283% *  0.1985% (0.61   0.02   0.02) =   0.010%
          HB2   LYS+ 112 - HN    VAL   43  15.95 +/- 1.94   0.748% *  0.3159% (0.97   0.02   0.02) =   0.009%
          QB    ALA  124 - HN    VAL   43  17.71 +/- 4.02   0.665% *  0.1228% (0.38   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    VAL   43  20.23 +/- 4.43   0.537% *  0.1228% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.891, support = 5.4, residual support = 59.9:
          QG1   VAL   43 - HN    VAL   43   2.59 +/- 0.54  79.291% * 70.0162% (0.90   5.49  61.83) =  96.723%  kept
          QG1   VAL   41 - HN    VAL   43   6.66 +/- 0.32   6.387% * 28.9719% (0.73   2.81   1.55) =   3.224%  kept
          QG2   THR   46 - HN    VAL   43   8.56 +/- 0.82   3.576% *  0.2819% (0.99   0.02   0.02) =   0.018%
          QG2   VAL   18 - HN    VAL   43  12.06 +/- 4.80   3.119% *  0.2838% (1.00   0.02   0.02) =   0.015%
          QD2   LEU  104 - HN    VAL   43   8.85 +/- 1.81   3.975% *  0.1725% (0.61   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    VAL   43  11.88 +/- 3.25   1.594% *  0.2174% (0.76   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    VAL   43  11.38 +/- 3.44   2.059% *  0.0563% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.713, support = 2.12, residual support = 1.58:
          QG2   VAL   41 - HN    VAL   43   4.98 +/- 0.67  24.893% * 90.2435% (0.73   2.24   1.55) =  94.222%  kept
          QD1   LEU   73 - HN    VAL   43   7.57 +/- 2.36  15.172% *  6.6417% (0.45   0.27   2.81) =   4.226%  kept
          QD2   LEU   63 - HN    VAL   43   8.49 +/- 3.07  13.294% *  1.0865% (0.98   0.02   0.02) =   0.606%  kept
          QD2   LEU   98 - HN    VAL   43   6.06 +/- 1.96  21.296% *  0.5832% (0.53   0.02   0.02) =   0.521%  kept
          QD1   LEU   63 - HN    VAL   43   7.97 +/- 2.93  12.800% *  0.4969% (0.45   0.02   0.02) =   0.267%  kept
          QD1   LEU   80 - HN    VAL   43  12.59 +/- 4.56   3.661% *  0.5832% (0.53   0.02   0.02) =   0.090%
          QD2   LEU  115 - HN    VAL   43  10.08 +/- 1.85   4.709% *  0.1941% (0.18   0.02   0.02) =   0.038%
          QD2   LEU   80 - HN    VAL   43  12.02 +/- 4.48   4.176% *  0.1710% (0.15   0.02   0.02) =   0.030%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.12, residual support = 41.2:
          QG1   VAL   42 - HN    VAL   43   2.88 +/- 0.35  91.479% * 99.2438% (0.97   5.12  41.24) =  99.986%  kept
          QB    ALA   47 - HN    VAL   43  12.43 +/- 1.13   1.374% *  0.4008% (1.00   0.02   0.02) =   0.006%
          QB    ALA   64 - HN    VAL   43   7.77 +/- 1.10   6.406% *  0.0795% (0.20   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    VAL   43  15.42 +/- 2.44   0.742% *  0.2759% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.94 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 = 0.87, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   9.28 +/- 3.56  42.933% * 27.6841% (0.73   0.02   0.02) =  36.521%  kept
          QG2   VAL   83 - HN    VAL   43  10.67 +/- 3.37  29.165% * 38.1246% (1.00   0.02   0.02) =  34.165%  kept
          QD1   ILE   89 - HN    VAL   43  11.19 +/- 2.51  27.902% * 34.1913% (0.90   0.02   0.02) =  29.314%  kept
    Distance limit 4.15 A violated in 16 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.907, support = 5.75, residual support = 25.5:
          HB    VAL   41 - HN    VAL   42   4.22 +/- 0.25  43.968% * 87.7555% (0.97   5.98  27.48) =  92.240%  kept
          HB2   LEU   71 - HN    VAL   42   5.97 +/- 2.50  30.376% * 10.5600% (0.22   3.12   1.97) =   7.668%  kept
          HG12  ILE  103 - HN    VAL   42   9.25 +/- 1.14   4.828% *  0.3043% (1.00   0.02   0.02) =   0.035%
          QB    LYS+  66 - HN    VAL   42  11.84 +/- 1.20   2.296% *  0.2542% (0.84   0.02   0.02) =   0.014%
          HG    LEU  123 - HN    VAL   42  17.21 +/- 4.56   1.190% *  0.2729% (0.90   0.02   0.02) =   0.008%
          HG2   PRO   93 - HN    VAL   42  15.44 +/- 2.12   1.783% *  0.1723% (0.57   0.02   0.02) =   0.007%
          QB    LYS+ 102 - HN    VAL   42  11.69 +/- 1.59   2.883% *  0.1038% (0.34   0.02   0.02) =   0.007%
          HB    ILE  103 - HN    VAL   42  10.82 +/- 1.73   4.038% *  0.0602% (0.20   0.02   0.02) =   0.006%
          HG3   PRO   68 - HN    VAL   42  12.03 +/- 1.89   3.056% *  0.0677% (0.22   0.02   0.02) =   0.005%
          QB    LYS+  65 - HN    VAL   42  12.24 +/- 1.17   2.062% *  0.0759% (0.25   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    VAL   42  11.09 +/- 1.31   2.654% *  0.0470% (0.15   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   42  20.87 +/- 1.21   0.372% *  0.2729% (0.90   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  20.88 +/- 2.95   0.493% *  0.0533% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.978, support = 6.21, residual support = 89.2:
      O   HB    VAL   42 - HN    VAL   42   2.76 +/- 0.32  63.973% * 93.2594% (0.98  10.0   6.25  89.89) =  99.191%  kept
          QB    LEU   98 - HN    VAL   42   6.12 +/- 0.92   8.330% *  3.9248% (0.57   1.0   1.46   0.33) =   0.544%  kept
          HB3   LEU   73 - HN    VAL   42   8.02 +/- 2.09   6.987% *  2.1796% (0.95   1.0   0.48   1.02) =   0.253%  kept
          HG3   LYS+  33 - HN    VAL   42  11.80 +/- 2.83   1.504% *  0.0949% (1.00   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    VAL   42   7.58 +/- 1.64   8.888% *  0.0129% (0.14   1.0   0.02   0.33) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  11.02 +/- 1.54   1.351% *  0.0727% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    VAL   42   9.93 +/- 2.60   3.152% *  0.0294% (0.31   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    VAL   42  13.97 +/- 2.23   0.898% *  0.0878% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    VAL   42  14.01 +/- 1.29   0.587% *  0.0933% (0.98   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  13.87 +/- 4.99   1.433% *  0.0265% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  18.26 +/- 4.34   0.356% *  0.0795% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  18.45 +/- 2.42   0.271% *  0.0825% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  13.38 +/- 2.02   1.016% *  0.0212% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.40 +/- 3.96   0.777% *  0.0167% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  15.40 +/- 1.91   0.479% *  0.0188% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 1.22, residual support = 1.68:
          QD1   LEU   40 - HN    VAL   42   4.78 +/- 1.12  67.796% * 97.9068% (0.98   1.23   1.69) =  99.400%  kept
          QD2   LEU   67 - HN    VAL   42   8.44 +/- 1.80  28.577% *  1.3018% (0.80   0.02   0.02) =   0.557%  kept
          QG1   VAL  108 - HN    VAL   42  13.92 +/- 1.41   3.627% *  0.7914% (0.49   0.02   0.02) =   0.043%
    Distance limit 4.64 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.821, support = 5.22, residual support = 35.2:
          QG1   VAL   43 - HN    VAL   42   4.27 +/- 1.21  38.266% * 53.0417% (0.90   5.06  41.24) =  56.316%  kept
          QG1   VAL   41 - HN    VAL   42   4.35 +/- 0.16  34.031% * 46.1269% (0.73   5.44  27.48) =  43.554%  kept
          QG2   VAL   18 - HN    VAL   42  11.00 +/- 5.06   8.973% *  0.2332% (1.00   0.02   0.02) =   0.058%
          QD1   ILE   19 - HN    VAL   42  10.26 +/- 3.51   5.989% *  0.1786% (0.76   0.02   0.02) =   0.030%
          QD2   LEU  104 - HN    VAL   42   9.07 +/- 1.51   4.560% *  0.1417% (0.61   0.02   0.02) =   0.018%
          QG2   THR   46 - HN    VAL   42  10.49 +/- 0.85   2.713% *  0.2316% (0.99   0.02   0.02) =   0.017%
          HG    LEU   31 - HN    VAL   42   9.66 +/- 2.65   5.470% *  0.0462% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.716, support = 5.85, residual support = 26.6:
          QG2   VAL   41 - HN    VAL   42   3.41 +/- 0.41  48.046% * 89.1851% (0.73   6.03  27.48) =  96.597%  kept
          QD1   LEU   73 - HN    VAL   42   7.01 +/- 2.09  14.515% *  8.9423% (0.45   0.98   1.02) =   2.926%  kept
          QD2   LEU   98 - HN    VAL   42   5.89 +/- 1.57  17.175% *  0.9415% (0.53   0.09   0.33) =   0.365%  kept
          QD2   LEU   63 - HN    VAL   42   8.04 +/- 2.31   8.252% *  0.3996% (0.98   0.02   0.02) =   0.074%
          QD1   LEU   63 - HN    VAL   42   8.10 +/- 1.94   5.466% *  0.1828% (0.45   0.02   0.02) =   0.023%
          QD1   LEU   80 - HN    VAL   42  13.93 +/- 4.34   1.858% *  0.2145% (0.53   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    VAL   42  11.73 +/- 2.47   2.716% *  0.0714% (0.18   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   42  13.03 +/- 4.24   1.973% *  0.0629% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 89.9:
          QG1   VAL   42 - HN    VAL   42   3.62 +/- 0.39  97.250% * 99.2596% (0.87   5.45  89.89) =  99.990%  kept
          QB    ALA   47 - HN    VAL   42  14.66 +/- 1.05   1.621% *  0.3211% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    VAL   42  17.84 +/- 2.66   1.129% *  0.4193% (1.00   0.02   0.02) =   0.005%
    Distance limit 4.51 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 = 0.592, support = 5.19, residual support = 86.2:
          QG2   VAL   42 - HN    VAL   42   3.02 +/- 0.58  59.778% * 87.1771% (0.61   5.36  89.89) =  95.917%  kept
          QG2   VAL   70 - HN    VAL   42   4.56 +/- 1.31  30.036% *  4.5957% (0.14   1.27   0.56) =   2.541%  kept
          QG2   VAL   75 - HN    VAL   42   6.38 +/- 1.64  10.186% *  8.2272% (0.45   0.68   0.02) =   1.542%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 4.59, residual support = 73.9:
      O   HB    VAL   41 - HN    VAL   41   3.05 +/- 0.41  60.037% * 95.1301% (0.90  10.0   4.64  75.23) =  98.217%  kept
          HB2   LEU   71 - HN    VAL   41   6.00 +/- 2.53  23.741% *  4.3140% (0.61   1.0   1.34   3.03) =   1.761%  kept
          HG12  ILE  103 - HN    VAL   41   8.09 +/- 1.99   6.897% *  0.0811% (0.76   1.0   0.02   0.02) =   0.010%
          QB    LYS+ 102 - HN    VAL   41   9.51 +/- 2.13   5.336% *  0.0811% (0.76   1.0   0.02   0.02) =   0.007%
          QB    LYS+  66 - HN    VAL   41  13.18 +/- 1.45   1.188% *  0.1051% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    VAL   41  14.36 +/- 1.06   0.745% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  17.05 +/- 5.58   0.640% *  0.0516% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  18.31 +/- 2.00   0.322% *  0.1003% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   41  15.62 +/- 4.61   0.950% *  0.0164% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.66 +/- 1.25   0.146% *  0.0516% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.198, support = 3.97, residual support = 19.9:
          HG    LEU   40 - HN    VAL   41   4.09 +/- 0.64  52.879% * 67.4414% (0.18   4.18  21.05) =  94.474%  kept
          HG    LEU   73 - HN    VAL   41  10.51 +/- 2.58   8.604% * 19.0200% (0.61   0.34   0.02) =   4.335%  kept
          HG12  ILE   19 - HN    VAL   41  12.89 +/- 3.78   9.712% *  1.6518% (0.90   0.02   0.02) =   0.425%  kept
          HB3   LEU   67 - HN    VAL   41  10.77 +/- 2.21   4.298% *  1.7423% (0.95   0.02   0.02) =   0.198%  kept
          HD3   LYS+ 121 - HN    VAL   41  12.71 +/- 6.14  10.327% *  0.6283% (0.34   0.02   0.02) =   0.172%  kept
          QB    ALA   61 - HN    VAL   41  14.18 +/- 1.11   1.518% *  1.8377% (1.00   0.02   0.02) =   0.074%
          HG2   LYS+ 102 - HN    VAL   41  11.76 +/- 2.05   2.919% *  0.8965% (0.49   0.02   0.02) =   0.069%
          QG    LYS+  66 - HN    VAL   41  14.15 +/- 1.57   1.662% *  1.4748% (0.80   0.02   0.02) =   0.065%
          HG    LEU   80 - HN    VAL   41  18.92 +/- 5.62   1.223% *  1.7775% (0.97   0.02   0.02) =   0.058%
          HB3   LYS+  74 - HN    VAL   41  13.13 +/- 2.66   3.419% *  0.5685% (0.31   0.02   0.02) =   0.051%
          QB    ALA  110 - HN    VAL   41  16.89 +/- 1.37   0.911% *  1.7423% (0.95   0.02   0.02) =   0.042%
          HB2   LEU   80 - HN    VAL   41  18.69 +/- 4.24   0.946% *  0.8965% (0.49   0.02   0.02) =   0.022%
          HB3   LEU  115 - HN    VAL   41  15.17 +/- 1.93   1.581% *  0.3226% (0.18   0.02   0.02) =   0.014%
    Distance limit 3.76 A violated in 0 structures by 0.37 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.745, support = 1.47, residual support = 5.29:
          QB    ALA   34 - HN    VAL   41   5.40 +/- 1.40  41.426% * 72.9102% (0.90   1.50   6.90) =  75.415%  kept
          QG2   THR   39 - HN    VAL   41   5.15 +/- 0.80  45.192% * 21.3030% (0.28   1.42   0.36) =  24.038%  kept
          HG3   LYS+  38 - HN    VAL   41  10.62 +/- 1.26   5.075% *  3.3878% (0.53   0.12   0.02) =   0.429%  kept
          QG2   THR   23 - HN    VAL   41  15.98 +/- 1.85   1.754% *  1.0721% (0.99   0.02   0.02) =   0.047%
          QG2   ILE   56 - HN    VAL   41  15.61 +/- 1.49   2.185% *  0.7854% (0.73   0.02   0.02) =   0.043%
          QG2   THR   77 - HN    VAL   41  13.74 +/- 1.34   3.100% *  0.2408% (0.22   0.02   0.02) =   0.019%
          QB    ALA   91 - HN    VAL   41  17.62 +/- 1.94   1.268% *  0.3007% (0.28   0.02   0.02) =   0.010%
    Distance limit 4.46 A violated in 1 structures by 0.23 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.916, support = 4.6, residual support = 20.6:
          QD2   LEU   40 - HN    VAL   41   3.03 +/- 0.88  52.221% * 91.1422% (0.92   4.71  21.05) =  97.609%  kept
          QD2   LEU   71 - HN    VAL   41   6.28 +/- 1.45  16.561% *  6.3318% (0.65   0.47   3.03) =   2.150%  kept
          QG2   ILE  103 - HN    VAL   41   7.49 +/- 2.16  15.469% *  0.4159% (0.99   0.02   0.02) =   0.132%  kept
          QD1   ILE  103 - HN    VAL   41   7.41 +/- 1.96   7.796% *  0.2208% (0.53   0.02   0.02) =   0.035%
          QD1   LEU   67 - HN    VAL   41   8.83 +/- 1.69   4.257% *  0.3969% (0.95   0.02   0.02) =   0.035%
          HB    VAL   75 - HN    VAL   41  11.39 +/- 1.53   1.474% *  0.9306% (0.34   0.13   0.02) =   0.028%
          HG3   LYS+  74 - HN    VAL   41  14.71 +/- 2.46   0.792% *  0.4187% (1.00   0.02   0.02) =   0.007%
          QG2   ILE  119 - HN    VAL   41  13.21 +/- 3.75   1.431% *  0.1431% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.52, residual support = 74.7:
          QG1   VAL   41 - HN    VAL   41   2.38 +/- 0.48  76.720% * 91.7161% (1.00   4.54  75.23) =  99.306%  kept
          QG1   VAL   43 - HN    VAL   41   6.63 +/- 1.06   6.648% *  6.9942% (0.95   0.37   1.55) =   0.656%  kept
          QD2   LEU   73 - HN    VAL   41   7.95 +/- 1.94   4.368% *  0.1810% (0.45   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    VAL   41   9.31 +/- 2.08   2.173% *  0.2448% (0.61   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    VAL   41  11.95 +/- 3.72   1.439% *  0.3085% (0.76   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    VAL   41   6.95 +/- 1.39   5.261% *  0.0799% (0.20   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    VAL   41  10.79 +/- 2.62   2.246% *  0.1246% (0.31   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    VAL   41  13.27 +/- 0.71   0.648% *  0.2611% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  15.01 +/- 1.94   0.497% *  0.0899% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 3.98, residual support = 69.3:
          QG2   VAL   41 - HN    VAL   41   3.54 +/- 0.58  49.757% * 80.2129% (0.73   4.34  75.23) =  87.726%  kept
          QD2   LEU   98 - HN    VAL   41   4.95 +/- 1.60  30.066% * 18.3974% (0.53   1.37  27.01) =  12.158%  kept
          QD2   LEU   63 - HN    VAL   41   9.21 +/- 2.03   4.285% *  0.4986% (0.98   0.02   0.02) =   0.047%
          QD1   LEU   73 - HN    VAL   41   8.91 +/- 1.99   7.551% *  0.2280% (0.45   0.02   0.02) =   0.038%
          QD1   LEU   63 - HN    VAL   41   9.34 +/- 1.61   3.799% *  0.2280% (0.45   0.02   0.02) =   0.019%
          QD1   LEU   80 - HN    VAL   41  16.54 +/- 4.68   1.025% *  0.2676% (0.53   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    VAL   41  13.02 +/- 2.56   2.150% *  0.0891% (0.18   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   41  15.68 +/- 4.59   1.367% *  0.0785% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.176, support = 2.62, residual support = 2.6:
          QG2   VAL   70 - HN    VAL   41   5.12 +/- 1.33  74.460% * 98.3980% (0.18   2.63   2.62) =  99.445%  kept
          QG2   THR  118 - HN    VAL   41   9.59 +/- 3.44  25.540% *  1.6020% (0.38   0.02   0.02) =   0.555%  kept
    Distance limit 5.00 A violated in 2 structures by 0.53 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.721, support = 1.29, residual support = 12.1:
          HB2   SER   37 - HN    LEU   40   6.21 +/- 0.77  32.785% * 54.0748% (0.92   1.21   0.75) =  53.628%  kept
          HA    VAL   70 - HN    LEU   40   5.27 +/- 1.59  45.188% * 23.7816% (0.28   1.77  36.10) =  32.508%  kept
          HA1   GLY   16 - HN    LEU   40  13.17 +/- 7.12  20.939% * 21.8749% (0.98   0.46   0.02) =  13.856%  kept
          HA    GLN  116 - HN    LEU   40  18.16 +/- 3.47   1.088% *  0.2686% (0.28   0.02   0.02) =   0.009%
    Distance limit 4.70 A violated in 1 structures by 0.24 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 4.09, residual support = 23.7:
          HB    THR   39 - HN    LEU   40   4.25 +/- 0.47  66.618% * 83.5024% (0.41   4.24  24.80) =  95.547%  kept
          HB3   SER   37 - HN    LEU   40   7.14 +/- 0.96  19.654% * 12.6835% (0.28   0.95   0.75) =   4.282%  kept
          HA    GLN   30 - HN    LEU   40  10.82 +/- 1.79   7.914% *  0.9059% (0.95   0.02   0.02) =   0.123%  kept
          QB    SER   13 - HN    LEU   40  15.34 +/- 3.96   4.021% *  0.4293% (0.45   0.02   0.02) =   0.030%
          HB3   SER   82 - HN    LEU   40  23.56 +/- 3.65   0.511% *  0.7318% (0.76   0.02   0.02) =   0.006%
          HD3   PRO   52 - HN    LEU   40  26.83 +/- 1.53   0.289% *  0.9386% (0.98   0.02   0.02) =   0.005%
          HB2   CYS   53 - HN    LEU   40  22.57 +/- 1.93   0.498% *  0.5422% (0.57   0.02   0.02) =   0.005%
          HA    ILE   89 - HN    LEU   40  24.70 +/- 3.83   0.495% *  0.2662% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.441, support = 0.873, residual support = 4.16:
          QE    LYS+  99 - HN    LEU   40   7.42 +/- 3.57  36.359% * 45.5862% (0.57   0.62   7.33) =  50.053%  kept
          QE    LYS+  38 - HN    LEU   40   6.60 +/- 1.70  34.911% * 46.4701% (0.31   1.15   0.99) =  48.991%  kept
          HB2   PHE   97 - HN    LEU   40  11.10 +/- 1.43   4.327% *  2.5209% (0.97   0.02   1.60) =   0.329%  kept
          HB3   TRP   27 - HN    LEU   40  12.76 +/- 1.83   3.616% *  2.5605% (0.98   0.02   0.02) =   0.280%  kept
          QE    LYS+ 102 - HN    LEU   40  12.95 +/- 4.11  17.047% *  0.4030% (0.15   0.02   0.02) =   0.207%  kept
          QE    LYS+ 106 - HN    LEU   40  14.89 +/- 1.98   1.940% *  1.4789% (0.57   0.02   0.02) =   0.087%
          HB3   PHE   60 - HN    LEU   40  15.88 +/- 2.51   1.800% *  0.9804% (0.38   0.02   0.02) =   0.053%
    Distance limit 4.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.95, residual support = 104.6:
      O   HB2   LEU   40 - HN    LEU   40   2.76 +/- 0.43  95.174% * 99.7221% (0.97  10.0   4.95 104.57) =  99.997%  kept
          HB3   MET   96 - HN    LEU   40  12.32 +/- 1.74   1.498% *  0.0954% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HN    LEU   40  16.43 +/- 4.07   1.083% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    LEU   40  14.24 +/- 5.36   1.734% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.70 +/- 4.12   0.279% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  25.31 +/- 3.74   0.231% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.662, support = 4.97, residual support = 104.6:
      O   HB3   LEU   40 - HN    LEU   40   2.79 +/- 0.51  60.526% * 69.1870% (0.61  10.0   4.81 104.57) =  82.563%  kept
          HG    LEU   40 - HN    LEU   40   4.05 +/- 0.76  29.224% * 30.2403% (0.92   1.0   5.74 104.57) =  17.424%  kept
          HG    LEU   67 - HN    LEU   40  10.19 +/- 2.19   1.940% *  0.1118% (0.98   1.0   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    LEU   40  14.23 +/- 3.35   3.223% *  0.0646% (0.57   1.0   0.02   0.02) =   0.004%
          HG    LEU   73 - HN    LEU   40  11.69 +/- 2.23   1.759% *  0.0511% (0.45   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   40  15.29 +/- 4.14   0.654% *  0.0953% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40  10.25 +/- 1.82   1.533% *  0.0176% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  17.72 +/- 2.18   0.251% *  0.1053% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  18.10 +/- 3.15   0.261% *  0.0953% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.39 +/- 1.88   0.630% *  0.0317% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.518, support = 3.11, residual support = 14.4:
          QG2   THR   39 - HN    LEU   40   3.54 +/- 0.65  59.618% * 30.5346% (0.28   4.18  24.80) =  57.077%  kept
          QB    ALA   34 - HN    LEU   40   4.90 +/- 1.13  30.404% * 37.7289% (0.90   1.60   0.55) =  35.966%  kept
          HG3   LYS+  38 - HN    LEU   40   7.94 +/- 0.88   7.233% * 30.5709% (0.53   2.21   0.99) =   6.933%  kept
          QG2   THR   23 - HN    LEU   40  16.56 +/- 1.48   0.683% *  0.5209% (0.99   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    LEU   40  17.29 +/- 1.62   0.654% *  0.3816% (0.73   0.02   0.02) =   0.008%
          QG2   THR   77 - HN    LEU   40  15.53 +/- 1.66   0.971% *  0.1170% (0.22   0.02   0.02) =   0.004%
          QB    ALA   91 - HN    LEU   40  19.99 +/- 1.96   0.436% *  0.1461% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.85 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 = 0.911, support = 1.21, residual support = 17.8:
          QD1   LEU   71 - HN    LEU   40   4.36 +/- 1.83  46.558% * 45.5771% (0.98   1.05   1.96) =  53.423%  kept
          QG1   VAL   70 - HN    LEU   40   5.83 +/- 1.64  35.448% * 51.8814% (0.84   1.41  36.10) =  46.301%  kept
          QG1   VAL   18 - HN    LEU   40  11.82 +/- 4.01   8.171% *  0.6411% (0.73   0.02   0.02) =   0.132%  kept
          HB3   LEU  104 - HN    LEU   40  12.57 +/- 1.89   3.155% *  0.8149% (0.92   0.02   0.02) =   0.065%
          QD1   LEU  123 - HN    LEU   40  13.97 +/- 4.81   2.631% *  0.8653% (0.98   0.02   0.02) =   0.057%
          HB3   LEU   63 - HN    LEU   40  11.46 +/- 2.34   4.037% *  0.2201% (0.25   0.02   0.02) =   0.022%
    Distance limit 4.22 A violated in 1 structures by 0.23 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.618, support = 4.33, residual support = 83.2:
          QD2   LEU   40 - HN    LEU   40   3.67 +/- 0.84  46.218% * 67.2576% (0.53   5.14 104.57) =  79.213%  kept
          QD2   LEU   71 - HN    LEU   40   5.47 +/- 1.93  26.091% * 30.8809% (0.98   1.27   1.96) =  20.531%  kept
          QD1   ILE  103 - HN    LEU   40  10.48 +/- 2.25   7.893% *  0.4593% (0.92   0.02   0.02) =   0.092%
          QD1   LEU   67 - HN    LEU   40   8.49 +/- 1.63   8.871% *  0.2817% (0.57   0.02   0.02) =   0.064%
          QG2   ILE  103 - HN    LEU   40  10.77 +/- 2.41   7.054% *  0.3418% (0.69   0.02   0.02) =   0.061%
          QG2   ILE  119 - HN    LEU   40  14.09 +/- 4.06   2.662% *  0.3803% (0.76   0.02   0.02) =   0.026%
          HG3   LYS+  74 - HN    LEU   40  15.20 +/- 3.12   1.212% *  0.3984% (0.80   0.02   0.02) =   0.012%
    Distance limit 4.35 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 = 6.05, residual support = 36.1:
          QG2   VAL   70 - HN    LEU   40   5.18 +/- 1.08 100.000% *100.0000% (0.57   6.05  36.10) = 100.000%  kept
    Distance limit 4.54 A violated in 5 structures by 0.80 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 1.87, residual support = 2.92:
          HA    GLU-  36 - HN    THR   39   6.71 +/- 0.40  21.897% * 76.5366% (0.80   1.93   1.05) =  54.006%  kept
          HA    ALA   34 - HN    THR   39   3.97 +/- 1.22  71.096% * 20.0204% (0.22   1.82   5.13) =  45.867%  kept
          HA    ALA  124 - HN    THR   39  19.55 +/- 7.62   1.699% *  0.9562% (0.97   0.02   0.02) =   0.052%
          HA    ASN   28 - HN    THR   39  12.41 +/- 1.08   3.795% *  0.3718% (0.38   0.02   0.02) =   0.045%
          HA    ARG+  54 - HN    THR   39  26.92 +/- 3.05   0.364% *  0.8886% (0.90   0.02   0.02) =   0.010%
          HA    LYS+  81 - HN    THR   39  26.33 +/- 2.90   0.333% *  0.8886% (0.90   0.02   0.02) =   0.010%
          HA    LEU  115 - HN    THR   39  20.51 +/- 2.28   0.817% *  0.3380% (0.34   0.02   0.02) =   0.009%
    Distance limit 4.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.821, support = 3.33, residual support = 10.6:
          HA    SER   37 - HN    THR   39   4.19 +/- 0.22  52.716% * 57.3910% (0.90   3.34   4.58) =  70.048%  kept
          HA    LEU   40 - HN    THR   39   5.03 +/- 0.45  31.574% * 40.8277% (0.65   3.30  24.80) =  29.846%  kept
          HA    GLN   17 - HN    THR   39  14.96 +/- 5.09   5.050% *  0.3432% (0.90   0.02   0.02) =   0.040%
          HA    GLU-  15 - HN    THR   39  13.81 +/- 4.89   5.363% *  0.3196% (0.84   0.02   0.02) =   0.040%
          HA    SER   13 - HN    THR   39  16.59 +/- 4.45   1.673% *  0.3196% (0.84   0.02   0.02) =   0.012%
          HA    VAL   42 - HN    THR   39  11.11 +/- 0.40   2.916% *  0.1305% (0.34   0.02   0.02) =   0.009%
          HA    THR   46 - HN    THR   39  23.05 +/- 0.77   0.326% *  0.3620% (0.95   0.02   0.02) =   0.003%
          HA    PRO   58 - HN    THR   39  22.74 +/- 2.23   0.382% *  0.3064% (0.80   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.404, support = 3.82, residual support = 36.4:
      O   HB    THR   39 - HN    THR   39   2.85 +/- 0.54  59.746% * 91.0050% (0.41  10.0   3.88  38.12) =  94.814%  kept
          HB3   SER   37 - HN    THR   39   3.64 +/- 0.61  36.578% *  8.1134% (0.28   1.0   2.64   4.58) =   5.175%  kept
          HA    GLN   30 - HN    THR   39   9.64 +/- 1.84   2.359% *  0.2094% (0.95   1.0   0.02   0.02) =   0.009%
          QB    SER   13 - HN    THR   39  14.79 +/- 4.20   0.984% *  0.0992% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    THR   39  25.56 +/- 4.59   0.104% *  0.1692% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.21 +/- 1.22   0.055% *  0.2170% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.98 +/- 1.62   0.088% *  0.1253% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  27.45 +/- 3.64   0.088% *  0.0615% (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 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.706, support = 3.92, residual support = 26.4:
          QG2   THR   39 - HN    THR   39   2.85 +/- 0.60  55.936% * 20.4966% (0.49   3.73  38.12) =  45.791%  kept
          QB    ALA   34 - HN    THR   39   3.84 +/- 0.65  30.533% * 24.0352% (1.00   2.14   5.13) =  29.310%  kept
          HG3   LYS+  38 - HN    THR   39   5.46 +/- 0.61  11.350% * 54.9096% (0.76   6.37  29.75) =  24.891%  kept
          HG13  ILE   19 - HN    THR   39  13.14 +/- 3.65   1.522% *  0.0447% (0.20   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    THR   39  16.83 +/- 1.39   0.314% *  0.1957% (0.87   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    THR   39  20.11 +/- 1.52   0.195% *  0.2083% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  22.39 +/- 2.26   0.151% *  0.1098% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.69, residual support = 220.9:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  97.236% * 99.7734% (0.80  10.0   6.69 220.94) =  99.998%  kept
          HA    GLU- 100 - HN    LYS+  38   8.74 +/- 2.11   2.374% *  0.0705% (0.57   1.0   0.02   0.02) =   0.002%
          HA    VAL   24 - HN    LYS+  38  16.82 +/- 1.31   0.240% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  26.30 +/- 4.63   0.083% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  26.26 +/- 2.42   0.068% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 220.9:
      O   HB2   LYS+  38 - HN    LYS+  38   3.08 +/- 0.17  92.880% * 99.7624% (1.00  10.0   5.95 220.94) =  99.997%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.44 +/- 1.32   1.065% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.44 +/- 1.52   1.838% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    LYS+  38  14.50 +/- 3.25   1.998% *  0.0249% (0.25   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  12.64 +/- 1.83   1.683% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.74 +/- 1.02   0.434% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  31.91 +/- 3.17   0.102% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 5.19, residual support = 220.9:
      O   HB3   LYS+  38 - HN    LYS+  38   3.98 +/- 0.09  73.243% * 99.4497% (0.90  10.0   5.20 220.94) =  99.985%  kept
          HB3   GLN   30 - HN    LYS+  38  10.64 +/- 1.42   4.683% *  0.1099% (0.99   1.0   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LYS+  38   6.59 +/- 0.72  18.904% *  0.0219% (0.20   1.0   0.02   0.02) =   0.006%
          HB3   PRO   58 - HN    LYS+  38  25.38 +/- 3.13   0.350% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  18.39 +/- 1.27   0.786% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  21.97 +/- 4.49   1.046% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.12 +/- 1.95   0.226% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.23 +/- 2.38   0.286% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.99 +/- 3.37   0.310% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  31.61 +/- 2.83   0.166% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 220.8:
          HG2   LYS+  38 - HN    LYS+  38   3.32 +/- 0.26  84.271% * 98.4017% (0.65   5.85 220.94) =  99.956%  kept
          HG2   LYS+  99 - HN    LYS+  38   9.26 +/- 2.97   9.887% *  0.2736% (0.53   0.02   0.02) =   0.033%
          HB2   LEU   31 - HN    LYS+  38   9.47 +/- 0.97   4.361% *  0.1158% (0.22   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    LYS+  38  19.76 +/- 1.56   0.448% *  0.4920% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    LYS+  38  26.25 +/- 3.63   0.215% *  0.4920% (0.95   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    LYS+  38  17.19 +/- 1.04   0.671% *  0.0803% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  28.27 +/- 2.13   0.148% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 29.7:
          HB2   LYS+  38 - HN    THR   39   4.29 +/- 0.22  79.904% * 99.2131% (1.00   6.01  29.75) =  99.974%  kept
          HG3   GLU-  29 - HN    THR   39  14.99 +/- 1.64   2.288% *  0.2399% (0.73   0.02   0.02) =   0.007%
          QG    GLN   17 - HN    THR   39  13.80 +/- 4.11   6.357% *  0.0824% (0.25   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HN    THR   39  13.01 +/- 1.95   4.130% *  0.1127% (0.34   0.02   0.02) =   0.006%
          HB    VAL   70 - HN    THR   39  10.78 +/- 1.38   6.011% *  0.0654% (0.20   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HN    THR   39  18.79 +/- 1.34   1.046% *  0.1127% (0.34   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    THR   39  30.01 +/- 2.87   0.262% *  0.1738% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 29.3:
      O   HB3   SER   37 - HN    SER   37   2.87 +/- 0.52  76.881% * 93.6309% (0.99  10.0   3.80  29.68) =  98.623%  kept
          HB    THR   39 - HN    SER   37   5.61 +/- 0.89  16.701% *  5.9999% (0.99   1.0   1.28   4.58) =   1.373%  kept
          QB    SER   13 - HN    SER   37  14.50 +/- 4.70   1.930% *  0.0926% (0.98   1.0   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    SER   37   9.00 +/- 1.55   3.831% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   37  20.63 +/- 3.32   0.336% *  0.0686% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  27.30 +/- 5.59   0.154% *  0.0722% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  29.64 +/- 3.61   0.102% *  0.0936% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.56 +/- 1.20   0.066% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 18.8:
          QB    GLU-  36 - HN    SER   37   3.05 +/- 0.37  83.214% * 98.3017% (1.00   3.71  18.82) =  99.963%  kept
          HB3   GLU-  29 - HN    SER   37  11.91 +/- 1.68   2.875% *  0.4593% (0.87   0.02   0.02) =   0.016%
          HG3   GLU- 100 - HN    SER   37   8.89 +/- 3.45  11.948% *  0.0927% (0.18   0.02   0.02) =   0.014%
          HG3   GLU-  29 - HN    SER   37  14.00 +/- 1.60   1.636% *  0.2577% (0.49   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    SER   37  24.45 +/- 2.95   0.231% *  0.5248% (0.99   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    SER   37  32.13 +/- 3.33   0.096% *  0.3637% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.88, residual support = 21.5:
          HG2   LYS+  38 - HN    SER   37   4.90 +/- 0.17  68.625% * 97.5170% (0.38   4.89  21.57) =  99.845%  kept
          HG2   LYS+  99 - HN    SER   37   9.50 +/- 3.46  28.000% *  0.2955% (0.28   0.02   0.02) =   0.123%  kept
          QG2   THR   77 - HN    SER   37  20.03 +/- 1.45   1.028% *  1.0533% (0.99   0.02   0.02) =   0.016%
          QG2   THR   23 - HN    SER   37  16.91 +/- 1.34   1.833% *  0.3625% (0.34   0.02   0.02) =   0.010%
          QB    ALA   88 - HN    SER   37  26.48 +/- 3.57   0.514% *  0.7717% (0.73   0.02   0.02) =   0.006%
    Distance limit 4.67 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.652, support = 5.9, residual support = 50.4:
          HB2   ASN   35 - HN    GLU-  36   3.73 +/- 0.23  72.211% * 91.7187% (0.65   6.04  51.65) =  97.501%  kept
          QE    LYS+  33 - HN    GLU-  36   5.96 +/- 1.19  24.904% *  6.7657% (0.87   0.33   0.02) =   2.480%  kept
          HB2   ASN   28 - HN    GLU-  36  12.88 +/- 1.06   1.929% *  0.4438% (0.95   0.02   0.02) =   0.013%
          QE    LYS+  65 - HN    GLU-  36  20.65 +/- 2.42   0.491% *  0.4681% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  36  27.37 +/- 5.40   0.280% *  0.4438% (0.95   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    GLU-  36  27.81 +/- 2.69   0.186% *  0.1600% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.81, residual support = 86.2:
          HG2   GLU-  36 - HN    GLU-  36   3.72 +/- 0.32  97.834% * 99.4306% (0.97   4.81  86.25) =  99.995%  kept
          HG3   MET   96 - HN    GLU-  36  17.68 +/- 1.85   1.152% *  0.3427% (0.80   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    GLU-  36  22.37 +/- 3.36   0.683% *  0.1606% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  26.58 +/- 3.20   0.331% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.3, residual support = 86.2:
      O   QB    GLU-  36 - HN    GLU-  36   2.13 +/- 0.18  95.222% * 99.6951% (0.90  10.0   7.30  86.25) =  99.998%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.49 +/- 3.38   2.767% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  36  10.45 +/- 1.35   1.067% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  12.48 +/- 1.43   0.660% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  24.90 +/- 3.51   0.077% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.81 +/- 0.92   0.174% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  32.61 +/- 4.02   0.033% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 4.81, residual support = 86.2:
          HG3   GLU-  36 - HN    GLU-  36   3.84 +/- 0.64  81.146% * 97.3024% (0.65   4.81  86.25) =  99.931%  kept
          QG    GLU-  15 - HN    GLU-  36  12.45 +/- 4.04   7.649% *  0.2801% (0.45   0.02   0.02) =   0.027%
          QB    MET   11 - HN    GLU-  36  18.31 +/- 4.76   3.051% *  0.5604% (0.90   0.02   0.02) =   0.022%
          QG    GLU-  14 - HN    GLU-  36  15.12 +/- 3.98   3.022% *  0.1929% (0.31   0.02   0.02) =   0.007%
          HB3   PHE   72 - HN    GLU-  36  14.12 +/- 2.65   2.870% *  0.1558% (0.25   0.02   0.02) =   0.006%
          QG    GLU- 114 - HN    GLU-  36  23.17 +/- 1.99   0.462% *  0.3538% (0.57   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  36  19.88 +/- 1.35   0.701% *  0.2131% (0.34   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    GLU-  36  24.89 +/- 3.83   0.418% *  0.3042% (0.49   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    GLU-  36  29.24 +/- 2.75   0.225% *  0.4042% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  28.92 +/- 3.73   0.281% *  0.1237% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.55 +/- 1.84   0.175% *  0.1094% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  14.91 +/- 1.52  41.361% * 42.5614% (0.57   0.02   0.02) =  63.519%  kept
          HA2   GLY  101 - HD22  ASN   35  12.91 +/- 4.91  53.631% * 14.8773% (0.20   0.02   0.02) =  28.790%  kept
          HD2   PRO   93 - HD22  ASN   35  28.73 +/- 4.24   5.008% * 42.5614% (0.57   0.02   0.02) =   7.691%  kept
    Distance limit 4.97 A violated in 19 structures by 6.00 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.57, residual support = 54.6:
      O   HB2   ASN   35 - HD22  ASN   35   3.76 +/- 0.28  87.230% * 98.2485% (0.76  10.0   3.58  54.66) =  99.875%  kept
          QE    LYS+  33 - HD22  ASN   35   9.52 +/- 1.38   7.484% *  1.3565% (0.76   1.0   0.28   5.56) =   0.118%  kept
          HB2   ASN   28 - HD22  ASN   35  12.18 +/- 1.74   3.540% *  0.1115% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HD22  ASN   35  27.18 +/- 7.60   0.932% *  0.1274% (0.99   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD22  ASN   35  21.99 +/- 3.16   0.537% *  0.1241% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  28.59 +/- 3.65   0.276% *  0.0321% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.734, support = 1.63, residual support = 4.14:
          HA    GLN   32 - HD21  ASN   35   3.91 +/- 0.96  62.610% * 38.9019% (0.76   1.33   3.33) =  62.937%  kept
          HA    LYS+  33 - HD21  ASN   35   5.86 +/- 0.79  25.177% * 56.7126% (0.69   2.15   5.56) =  36.897%  kept
          HA    GLU-  29 - HD21  ASN   35   8.78 +/- 0.79   6.001% *  0.6417% (0.83   0.02   0.02) =   0.100%
          HA    VAL   70 - HD21  ASN   35  13.79 +/- 2.80   3.731% *  0.2883% (0.38   0.02   0.02) =   0.028%
          HA    VAL   18 - HD21  ASN   35  16.49 +/- 2.27   1.114% *  0.6664% (0.87   0.02   0.02) =   0.019%
          HB2   SER   82 - HD21  ASN   35  27.62 +/- 8.21   0.450% *  0.7092% (0.92   0.02   0.02) =   0.008%
          HA    SER   48 - HD21  ASN   35  29.03 +/- 4.66   0.201% *  0.7414% (0.96   0.02   0.02) =   0.004%
          HA    ALA   88 - HD21  ASN   35  31.22 +/- 5.95   0.203% *  0.6152% (0.80   0.02   0.02) =   0.003%
          HA    GLN  116 - HD21  ASN   35  24.71 +/- 4.39   0.373% *  0.2883% (0.38   0.02   0.02) =   0.003%
          HD2   PRO   52 - HD21  ASN   35  31.95 +/- 2.98   0.140% *  0.4350% (0.57   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.608, support = 3.56, residual support = 54.3:
      O   HB2   ASN   35 - HD21  ASN   35   2.92 +/- 0.49  90.189% * 90.4986% (0.61  10.0   3.58  54.66) =  99.320%  kept
          QE    LYS+  33 - HD21  ASN   35   8.51 +/- 1.30   6.138% *  9.0144% (0.90   1.0   1.35   5.56) =   0.673%  kept
          HB2   ASN   28 - HD21  ASN   35  11.37 +/- 1.43   2.474% *  0.1440% (0.96   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD21  ASN   35  21.50 +/- 3.27   0.649% *  0.1492% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HD21  ASN   35  26.97 +/- 7.12   0.381% *  0.1377% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  28.06 +/- 3.51   0.169% *  0.0560% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.657, support = 4.41, residual support = 43.5:
      O   HA    GLN   32 - HN    GLN   32   2.75 +/- 0.07  59.717% * 75.4894% (0.65  10.0   4.46  45.23) =  94.731%  kept
          HA    LYS+  33 - HN    GLN   32   5.25 +/- 0.15   8.708% * 21.8518% (0.80   1.0   4.68  15.12) =   3.999%  kept
          HA    GLU-  29 - HN    GLN   32   3.54 +/- 0.20  28.905% *  2.0833% (0.92   1.0   0.39   0.02) =   1.265%  kept
          HA    VAL   18 - HN    GLN   32  12.76 +/- 1.74   0.720% *  0.1104% (0.95   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    GLN   32  12.98 +/- 2.94   1.121% *  0.0568% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   32  24.21 +/- 9.37   0.398% *  0.1144% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   32  25.66 +/- 4.83   0.114% *  0.1047% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  22.67 +/- 3.37   0.162% *  0.0568% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  28.12 +/- 6.20   0.097% *  0.0802% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.78 +/- 2.95   0.058% *  0.0523% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 154.3:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.05  68.042% * 99.1301% (0.87  10.0   6.15 154.56) =  99.856%  kept
          HA    GLU-  29 - HN    LYS+  33   4.77 +/- 1.08  23.435% *  0.3868% (0.73   1.0   0.09   0.02) =   0.134%  kept
          HA    VAL   70 - HN    LYS+  33  12.42 +/- 3.28   2.532% *  0.1143% (1.00   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   8.64 +/- 1.32   3.178% *  0.0556% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LYS+  33  12.64 +/- 1.90   1.228% *  0.0785% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LYS+  33  14.10 +/- 3.03   0.966% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  25.52 +/- 8.58   0.303% *  0.0693% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  22.88 +/- 3.19   0.183% *  0.1143% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  26.40 +/- 4.55   0.134% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.32, support = 4.08, residual support = 25.1:
      O   HA    ASN   28 - HN    GLU-  29   3.61 +/- 0.05  34.412% * 71.6124% (0.18  10.0   5.03  32.54) =  76.762%  kept
          HA    THR   26 - HN    GLU-  29   3.38 +/- 0.18  42.099% * 14.1350% (0.95   1.0   0.73   0.68) =  18.536%  kept
          HA    GLU-  25 - HN    GLU-  29   4.83 +/- 0.60  16.706% *  8.5264% (0.22   1.0   1.87   0.02) =   4.437%  kept
          HA    ALA   34 - HN    GLU-  29  10.35 +/- 0.99   1.608% *  4.7328% (0.31   1.0   0.75   0.65) =   0.237%  kept
          HA    ILE   19 - HN    GLU-  29   9.79 +/- 2.36   3.567% *  0.1681% (0.41   1.0   0.02   0.02) =   0.019%
          HA1   GLY  101 - HN    GLU-  29  16.55 +/- 4.97   1.072% *  0.1990% (0.49   1.0   0.02   0.02) =   0.007%
          HA    GLU- 114 - HN    GLU-  29  25.56 +/- 4.06   0.145% *  0.2645% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  29  25.61 +/- 3.44   0.123% *  0.2809% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  22.40 +/- 3.61   0.270% *  0.0809% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.49, residual support = 105.7:
      O   HB2   ASN   28 - HD22  ASN   28   3.17 +/- 0.08  91.444% * 99.6000% (0.95  10.0   4.49 105.74) =  99.992%  kept
          HB2   ASP-  86 - HD22  ASN   28  20.22 +/- 8.43   2.671% *  0.0996% (0.95   1.0   0.02   0.02) =   0.003%
          QE    LYS+  33 - HD22  ASN   28  10.73 +/- 0.75   2.573% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  12.46 +/- 1.73   1.831% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD22  ASN   28  18.01 +/- 3.92   0.835% *  0.1051% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  19.73 +/- 5.45   0.647% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.13, residual support = 159.7:
      O   HG2   GLN   30 - HE21  GLN   30   3.66 +/- 0.41  92.095% * 96.3412% (0.61  10.0   4.14 160.02) =  99.760%  kept
          HB3   ASN   28 - HE21  GLN   30   9.70 +/- 1.09   5.869% *  3.6310% (0.84   1.0   0.55  16.71) =   0.240%  kept
          QE    LYS+ 121 - HE21  GLN   30  16.94 +/- 4.05   2.036% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.19, residual support = 159.8:
      O   HG2   GLN   30 - HE22  GLN   30   2.87 +/- 0.51  94.679% * 96.3412% (0.61  10.0   4.19 160.02) =  99.835%  kept
          HB3   ASN   28 - HE22  GLN   30   8.61 +/- 1.17   4.148% *  3.6310% (0.84   1.0   0.55  16.71) =   0.165%  kept
          QE    LYS+ 121 - HE22  GLN   30  16.68 +/- 4.19   1.173% *  0.0278% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 4.11, residual support = 105.6:
      O   HB3   ASN   28 - HD22  ASN   28   3.36 +/- 0.08  85.295% * 99.1163% (0.90  10.0   4.12 105.74) =  99.898%  kept
          HG2   GLN   30 - HD22  ASN   28   6.98 +/- 0.79  11.050% *  0.7620% (1.00   1.0   0.14  16.71) =   0.099%
          QE    LYS+ 121 - HD22  ASN   28  18.08 +/- 5.73   1.969% *  0.0803% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   HIS  122 - HD22  ASN   28  18.66 +/- 6.08   1.686% *  0.0415% (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 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 1.61, residual support = 14.5:
          QG2   VAL   24 - HD22  ASN   28   3.29 +/- 0.66  89.163% * 97.8724% (0.97   1.61  14.53) =  99.902%  kept
          HG    LEU   63 - HD22  ASN   28  16.63 +/- 4.55   5.279% *  1.0913% (0.87   0.02   0.02) =   0.066%
          QG1   VAL  107 - HD22  ASN   28  16.30 +/- 3.21   3.735% *  0.4722% (0.38   0.02   0.02) =   0.020%
          HG3   LYS+ 112 - HD22  ASN   28  24.04 +/- 4.44   1.822% *  0.5641% (0.45   0.02   0.02) =   0.012%
    Distance limit 3.95 A violated in 1 structures by 0.10 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 6.08, residual support = 91.9:
      O   HA    GLU-  29 - HN    GLU-  29   2.77 +/- 0.05  87.360% * 95.4293% (0.84  10.0   6.09  92.05) =  99.859%  kept
          HA    LYS+  33 - HN    GLU-  29   9.08 +/- 0.89   2.780% *  4.0528% (0.95   1.0   0.75   0.02) =   0.135%  kept
          HA    VAL   18 - HN    GLU-  29  12.22 +/- 1.87   1.354% *  0.0915% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  22.56 +/-10.39   1.355% *  0.0830% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  15.20 +/- 2.84   0.801% *  0.1120% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.44 +/- 0.45   4.709% *  0.0176% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLU-  29  23.23 +/- 4.34   0.334% *  0.1120% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.08 +/- 1.78   0.822% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  24.42 +/- 5.66   0.314% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  27.04 +/- 6.79   0.171% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.14, residual support = 32.4:
          HB2   ASN   28 - HN    GLU-  29   2.62 +/- 0.39  92.093% * 92.0938% (0.97   6.17  32.54) =  99.586%  kept
          QE    LYS+  33 - HN    GLU-  29   8.14 +/- 1.17   4.936% *  7.0072% (0.90   0.50   0.02) =   0.406%  kept
          HB2   ASN   35 - HN    GLU-  29  11.55 +/- 1.32   1.564% *  0.1877% (0.61   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    GLU-  29  18.96 +/- 4.13   0.878% *  0.3095% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  29  23.36 +/- 7.82   0.304% *  0.2857% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  22.27 +/- 5.54   0.225% *  0.1162% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.711, support = 5.5, residual support = 30.7:
          HB3   ASN   28 - HN    GLU-  29   3.41 +/- 0.22  70.868% * 46.9570% (0.65   5.77  32.54) =  70.708%  kept
          HG2   GLN   30 - HN    GLU-  29   5.03 +/- 0.70  26.177% * 52.6426% (0.87   4.83  26.24) =  29.280%  kept
          QE    LYS+ 121 - HN    GLU-  29  18.87 +/- 5.34   1.327% *  0.2378% (0.95   0.02   0.02) =   0.007%
          HB3   HIS  122 - HN    GLU-  29  19.26 +/- 6.46   1.628% *  0.1626% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.36, residual support = 91.9:
          HG2   GLU-  29 - HN    GLU-  29   3.27 +/- 0.53  82.041% * 97.1657% (0.57   5.37  92.05) =  99.835%  kept
          QG    GLN   32 - HN    GLU-  29   6.59 +/- 0.93  15.772% *  0.7689% (0.28   0.09   0.02) =   0.152%  kept
          HB3   PHE   45 - HN    GLU-  29  20.90 +/- 4.09   0.483% *  0.6341% (0.99   0.02   0.02) =   0.004%
          QE    LYS+ 112 - HN    GLU-  29  23.48 +/- 4.82   0.442% *  0.6341% (0.99   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    GLU-  29  21.07 +/- 2.53   0.454% *  0.5343% (0.84   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    GLU-  29  23.78 +/- 8.33   0.808% *  0.2630% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.564, support = 5.45, residual support = 13.9:
          HA    ASN   28 - HN    GLN   30   3.87 +/- 0.22  40.302% * 60.4371% (0.45   6.73  16.71) =  76.058%  kept
          HA    THR   26 - HN    GLN   30   4.74 +/- 0.69  25.318% * 27.8106% (0.97   1.44   4.73) =  21.987%  kept
          HA    ALA   34 - HN    GLN   30   8.14 +/- 1.04   5.186% *  9.7163% (0.65   0.75   7.23) =   1.574%  kept
          HA1   GLY  101 - HN    LYS+  99   5.83 +/- 0.86  13.367% *  0.8242% (0.05   0.75   1.40) =   0.344%  kept
          HA1   GLY  101 - HN    GLN   30  15.31 +/- 4.36   1.478% *  0.3345% (0.84   0.02   0.02) =   0.015%
          HA    ILE   19 - HN    GLN   30   8.69 +/- 1.87   6.751% *  0.0618% (0.15   0.02  13.23) =   0.013%
          HA    GLU- 114 - HN    GLN   30  24.33 +/- 3.47   0.222% *  0.3789% (0.95   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    GLN   30  21.04 +/- 2.96   0.387% *  0.1950% (0.49   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+  99  10.67 +/- 1.82   2.704% *  0.0170% (0.04   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  24.57 +/- 2.87   0.175% *  0.1366% (0.34   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  13.96 +/- 3.40   1.647% *  0.0118% (0.03   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  17.90 +/- 3.43   0.693% *  0.0254% (0.06   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+  99  18.54 +/- 2.30   0.438% *  0.0249% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.15 +/- 1.65   0.621% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  23.02 +/- 2.28   0.234% *  0.0090% (0.02   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.96 +/- 2.14   0.477% *  0.0041% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 6.31, residual support = 26.1:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.02  60.934% * 94.9955% (1.00  10.0   6.34  26.24) =  99.460%  kept
          HA    LYS+  33 - HN    GLN   30   7.63 +/- 0.58   6.193% *  3.4996% (0.98   1.0   0.75   0.51) =   0.372%  kept
          HA    GLN   32 - HN    GLN   30   6.60 +/- 0.28   9.210% *  0.9910% (0.38   1.0   0.55   1.81) =   0.157%  kept
          HA    VAL   18 - HN    GLN   30  10.82 +/- 1.73   2.584% *  0.0944% (0.99   1.0   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    GLN   30  13.09 +/- 2.70   1.974% *  0.0728% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   30  22.52 +/- 9.43   1.307% *  0.0919% (0.97   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    GLN   30  21.83 +/- 3.68   0.416% *  0.0728% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  12.02 +/- 1.82   1.949% *  0.0147% (0.15   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  23.68 +/- 5.11   0.347% *  0.0616% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  11.68 +/- 2.71   2.689% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  26.67 +/- 5.98   0.229% *  0.0391% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.44 +/- 2.02   1.337% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.83 +/- 3.37   3.090% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.20 +/- 2.95   1.128% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.23 +/- 2.82   0.713% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  11.16 +/- 2.86   4.298% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  27.05 +/- 3.10   0.147% *  0.0212% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.44 +/- 2.21   0.467% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  23.95 +/- 5.55   0.345% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  24.10 +/- 3.02   0.231% *  0.0040% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  24.67 +/- 3.49   0.220% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  26.00 +/- 2.53   0.192% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 160.0:
      O   HA    GLN   30 - HN    GLN   30   2.82 +/- 0.03  84.913% * 99.5516% (0.92  10.0   6.41 160.02) =  99.995%  kept
          QB    SER   13 - HN    GLN   30  12.65 +/- 4.26   3.254% *  0.0525% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    GLN   30  22.12 +/- 9.19   1.034% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLN   30  12.33 +/- 2.25   1.433% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.92 +/- 1.69   1.448% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    GLN   30  28.48 +/- 3.08   0.093% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  24.67 +/- 2.76   0.145% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  13.48 +/- 2.44   1.081% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  11.73 +/- 3.16   3.155% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.80 +/- 1.79   1.841% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  25.26 +/- 4.90   0.174% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  20.24 +/- 3.93   0.599% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  23.33 +/- 5.83   0.293% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.75 +/- 2.81   0.226% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.41 +/- 2.52   0.115% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  23.03 +/- 3.63   0.197% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.985, support = 7.03, residual support = 141.3:
          HG2   GLN   30 - HN    GLN   30   3.11 +/- 0.53  69.837% * 63.9264% (1.00   7.39 160.02) =  86.911%  kept
          HB3   ASN   28 - HN    GLN   30   5.07 +/- 0.17  18.748% * 35.8485% (0.90   4.61  16.71) =  13.084%  kept
          QE    LYS+ 121 - HN    GLN   30  17.60 +/- 4.71   0.852% *  0.1259% (0.73   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    GLN   30  17.59 +/- 6.23   1.480% *  0.0651% (0.38   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HN    LYS+  99  11.64 +/- 4.77   3.634% *  0.0083% (0.05   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    LYS+  99  14.49 +/- 3.32   2.085% *  0.0114% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.62 +/- 3.64   2.002% *  0.0102% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  15.32 +/- 6.07   1.362% *  0.0043% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.9, residual support = 159.1:
      O   HB3   GLN   30 - HN    GLN   30   2.40 +/- 0.42  72.065% * 95.1171% (0.69  10.0   6.93 160.02) =  99.448%  kept
          QB    LYS+  33 - HN    GLN   30   5.84 +/- 1.00   9.980% *  3.7707% (0.73   1.0   0.75   0.51) =   0.546%  kept
          HB3   LYS+  38 - HN    GLN   30  13.45 +/- 2.11   0.719% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   30  17.34 +/- 3.67   0.625% *  0.0840% (0.61   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   30  16.94 +/- 3.43   0.493% *  0.0729% (0.53   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  17.56 +/- 2.26   0.256% *  0.1242% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  18.07 +/- 4.45   0.450% *  0.0674% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  20.96 +/- 6.96   0.233% *  0.1201% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  99   6.09 +/- 0.57   5.486% *  0.0048% (0.03   1.0   0.02   0.71) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.28 +/- 1.17   3.379% *  0.0055% (0.04   1.0   0.02   0.48) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.70 +/- 2.61   0.101% *  0.1336% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.78 +/- 0.60   1.284% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  26.95 +/- 5.63   0.092% *  0.1109% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.00 +/- 1.96   1.306% *  0.0066% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  12.28 +/- 2.31   1.004% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.22 +/- 3.91   0.102% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.00 +/- 2.90   1.148% *  0.0062% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  23.39 +/- 4.13   0.125% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  27.47 +/- 3.50   0.065% *  0.0784% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  17.29 +/- 3.59   0.444% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.73 +/- 2.11   0.125% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  22.79 +/- 3.61   0.133% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.39 +/- 1.04   0.131% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  25.70 +/- 2.20   0.076% *  0.0073% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.10 +/- 3.50   0.072% *  0.0052% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.87 +/- 2.11   0.105% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.805, support = 5.64, residual support = 50.2:
          HG    LEU   31 - HN    GLN   30   4.47 +/- 0.58  35.679% * 90.8795% (0.80   5.87  52.29) =  95.769%  kept
          QD2   LEU   73 - HN    GLN   30   8.19 +/- 4.07  17.004% *  8.3297% (0.92   0.47   2.63) =   4.183%  kept
          QG1   VAL   41 - HN    GLN   30   9.48 +/- 2.71   8.224% *  0.0964% (0.25   0.02   0.02) =   0.023%
          HG3   LYS+ 121 - HN    GLN   30  19.26 +/- 5.72   1.127% *  0.2189% (0.57   0.02   0.02) =   0.007%
          QD1   ILE   56 - HN    GLN   30  19.17 +/- 2.12   0.510% *  0.3857% (1.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LYS+  99   5.49 +/- 1.80  26.885% *  0.0063% (0.02   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LYS+  99  11.72 +/- 3.00   4.296% *  0.0203% (0.05   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+  99  11.81 +/- 1.94   2.402% *  0.0234% (0.06   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LYS+  99  13.05 +/- 5.89   3.185% *  0.0144% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  17.28 +/- 1.70   0.688% *  0.0253% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.34 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 = 0.725, support = 1.99, residual support = 4.71:
          QG2   THR   26 - HN    GLN   30   4.44 +/- 0.54  57.097% * 94.2903% (0.73   2.00   4.73) =  99.701%  kept
          HB3   LEU   40 - HN    GLN   30  11.84 +/- 2.25   6.029% *  0.9429% (0.73   0.02   0.02) =   0.105%  kept
          HB2   LYS+  74 - HN    GLN   30  13.66 +/- 3.14   3.363% *  1.2283% (0.95   0.02   0.02) =   0.076%
          QB    ALA  120 - HN    GLN   30  18.45 +/- 4.49   2.118% *  0.6320% (0.49   0.02   0.02) =   0.025%
          HG2   LYS+  65 - HN    GLN   30  18.79 +/- 4.10   1.573% *  0.8400% (0.65   0.02   0.02) =   0.024%
          HD2   LYS+ 121 - HN    GLN   30  19.08 +/- 5.46   1.625% *  0.7352% (0.57   0.02   0.02) =   0.022%
          HG    LEU  115 - HN    GLN   30  21.56 +/- 3.42   0.970% *  0.6320% (0.49   0.02   0.02) =   0.011%
          HB3   LEU   40 - HN    LYS+  99   9.34 +/- 1.86   9.666% *  0.0619% (0.05   0.02   7.33) =   0.011%
          QD    LYS+  66 - HN    GLN   30  18.54 +/- 3.38   1.501% *  0.2891% (0.22   0.02   0.02) =   0.008%
          QG2   THR   26 - HN    LYS+  99  14.67 +/- 3.26   5.224% *  0.0619% (0.05   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HN    LYS+  99  13.38 +/- 5.00   3.861% *  0.0483% (0.04   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HN    LYS+  99  18.24 +/- 2.34   1.142% *  0.0807% (0.06   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LYS+  99  15.19 +/- 3.53   2.075% *  0.0415% (0.03   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LYS+  99  17.82 +/- 2.14   1.128% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  21.36 +/- 2.08   0.751% *  0.0552% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+  99  18.79 +/- 3.36   1.877% *  0.0190% (0.01   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.381, support = 6.42, residual support = 159.8:
      O   HB2   GLN   30 - HN    GLN   30   3.36 +/- 0.36  40.159% * 86.1954% (0.41  10.0   6.40 160.02) =  87.345%  kept
          HG3   GLN   30 - HN    GLN   30   3.37 +/- 0.62  41.096% * 12.0669% (0.18   1.0   6.57 160.02) =  12.513%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.10 +/- 0.77   8.329% *  0.5994% (0.02   1.0   2.55  39.84) =   0.126%  kept
          HB2   GLU-  14 - HN    GLN   30  14.00 +/- 3.98   2.112% *  0.1103% (0.53   1.0   0.02   0.02) =   0.006%
          HB3   GLU- 100 - HN    GLN   30  14.28 +/- 3.60   2.031% *  0.0715% (0.34   1.0   0.02   0.02) =   0.004%
          HB2   PRO   93 - HN    GLN   30  21.15 +/- 3.49   0.455% *  0.2023% (0.97   1.0   0.02   0.02) =   0.002%
          HG2   MET   11 - HN    GLN   30  19.10 +/- 4.66   0.498% *  0.1187% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLN   30  20.84 +/- 4.50   0.419% *  0.0862% (0.41   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    GLN   30  22.52 +/- 2.70   0.161% *  0.1356% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLN   30  23.57 +/- 3.58   0.204% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.75 +/- 3.37   0.091% *  0.1522% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.75 +/- 2.53   1.296% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  28.34 +/- 3.49   0.077% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.46 +/- 0.65   0.424% *  0.0089% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  14.05 +/- 3.02   1.367% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.32 +/- 1.15   0.237% *  0.0133% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.95 +/- 3.51   0.381% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  22.20 +/- 3.95   0.202% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.13 +/- 2.92   0.104% *  0.0100% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.30 +/- 2.53   0.168% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  27.72 +/- 4.61   0.090% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.70 +/- 2.65   0.099% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.931, support = 5.55, residual support = 26.2:
          HB3   GLU-  29 - HN    GLN   30   3.87 +/- 0.24  55.920% * 43.1931% (0.90   5.15  26.24) =  58.920%  kept
          HG3   GLU-  29 - HN    GLN   30   4.93 +/- 0.47  29.929% * 56.2397% (0.98   6.14  26.24) =  41.060%  kept
          QB    GLU-  36 - HN    GLN   30   9.95 +/- 1.05   3.540% *  0.1134% (0.61   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    GLN   30  13.39 +/- 1.82   1.681% *  0.1134% (0.61   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    GLN   30  18.95 +/- 6.14   1.036% *  0.0984% (0.53   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    GLN   30  27.03 +/- 5.91   0.321% *  0.1853% (0.99   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LYS+  99  11.82 +/- 2.65   3.433% *  0.0075% (0.04   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  12.84 +/- 2.00   1.880% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  16.26 +/- 2.90   0.968% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  17.61 +/- 3.13   0.771% *  0.0120% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  26.20 +/- 2.20   0.193% *  0.0122% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.26 +/- 2.73   0.328% *  0.0065% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.41, residual support = 92.0:
      O   HB2   GLU-  29 - HN    GLU-  29   2.39 +/- 0.38  96.803% * 99.4303% (0.76  10.0   5.41  92.05) =  99.997%  kept
          HB3   ASP-  76 - HN    GLU-  29  18.21 +/- 5.33   0.632% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    GLU-  29  15.42 +/- 3.49   0.682% *  0.1042% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  19.77 +/- 3.82   0.324% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.12 +/- 3.34   0.786% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.20 +/- 4.54   0.187% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  20.97 +/- 4.44   0.320% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  24.42 +/- 5.98   0.265% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.772, support = 5.49, residual support = 91.9:
      O   HB3   GLU-  29 - HN    GLU-  29   3.39 +/- 0.37  38.221% * 66.8716% (0.65  10.0   4.93  92.05) =  60.309%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.05 +/- 0.40  52.678% * 31.7852% (0.97   1.0   6.37  92.05) =  39.509%  kept
          HB2   GLU-  25 - HN    GLU-  29   6.12 +/- 0.64   6.883% *  1.1032% (0.14   1.0   1.58   0.02) =   0.179%  kept
          HB2   LYS+  38 - HN    GLU-  29  15.14 +/- 2.04   0.572% *  0.0897% (0.87   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  11.41 +/- 1.20   1.072% *  0.0353% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  19.44 +/- 6.56   0.440% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  27.46 +/- 6.57   0.134% *  0.0863% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.33, residual support = 160.0:
      O   HG3   GLN   30 - HE21  GLN   30   3.96 +/- 0.36  30.542% * 85.9180% (0.99  10.0   3.20 160.02) =  82.569%  kept
          HB2   GLN   30 - HE21  GLN   30   3.63 +/- 0.62  40.655% * 13.5914% (0.80   1.0   3.92 160.02) =  17.386%  kept
          HB2   GLN   17 - HE21  GLN   30  10.29 +/- 3.77  12.370% *  0.0422% (0.49   1.0   0.02   0.02) =   0.016%
          HB3   GLU- 100 - HE21  GLN   30  15.24 +/- 4.17   4.326% *  0.0752% (0.87   1.0   0.02   0.02) =   0.010%
          QB    GLU-  15 - HE21  GLN   30  10.39 +/- 4.08   5.385% *  0.0422% (0.49   1.0   0.02   0.02) =   0.007%
          HB    ILE  119 - HE21  GLN   30  19.11 +/- 5.04   2.456% *  0.0694% (0.80   1.0   0.02   0.02) =   0.005%
          HB3   PRO   68 - HE21  GLN   30  16.25 +/- 3.65   1.324% *  0.0752% (0.87   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HE21  GLN   30  11.63 +/- 1.68   2.045% *  0.0268% (0.31   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HE21  GLN   30  21.37 +/- 3.11   0.255% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.91 +/- 3.56   0.141% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.34 +/- 3.31   0.353% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  26.00 +/- 4.05   0.148% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.372, support = 1.89, residual support = 11.2:
          QD1   ILE   19 - HE21  GLN   30   4.90 +/- 2.84  35.810% * 50.4232% (0.41   2.13  13.23) =  56.625%  kept
          QG2   ILE   19 - HE21  GLN   30   4.70 +/- 3.16  42.455% * 20.2672% (0.18   2.01  13.23) =  26.983%  kept
          QD2   LEU  104 - HE21  GLN   30  12.58 +/- 4.04  18.509% * 28.1011% (0.57   0.86   0.68) =  16.311%  kept
          QD1   LEU   98 - HE21  GLN   30  11.84 +/- 2.69   2.350% *  1.0311% (0.90   0.02   0.02) =   0.076%
          QG2   THR   46 - HE21  GLN   30  15.05 +/- 3.11   0.877% *  0.1774% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.358, support = 1.9, residual support = 11.4:
          QD1   ILE   19 - HE22  GLN   30   5.12 +/- 2.44  32.785% * 50.3534% (0.41   2.04  13.23) =  52.872%  kept
          QG2   ILE   19 - HE22  GLN   30   4.74 +/- 2.83  43.351% * 23.2416% (0.18   2.21  13.23) =  32.269%  kept
          QD2   LEU  104 - HE22  GLN   30  12.13 +/- 3.99  18.246% * 25.1421% (0.57   0.74   0.68) =  14.692%  kept
          QD1   LEU   98 - HE22  GLN   30  11.51 +/- 2.70   4.637% *  1.0774% (0.90   0.02   0.02) =   0.160%  kept
          QG2   THR   46 - HE22  GLN   30  15.08 +/- 2.90   0.981% *  0.1854% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 44.0:
      O   HA    LEU   31 - HN    GLN   32   3.56 +/- 0.05  99.335% * 99.9819% (0.97  10.0   5.93  44.03) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  21.09 +/- 4.20   0.665% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.36, residual support = 45.2:
          QG    GLN   32 - HN    GLN   32   3.49 +/- 0.57  90.507% * 98.8935% (0.99   4.37  45.23) =  99.984%  kept
          HB2   GLU- 100 - HN    GLN   32  12.71 +/- 3.08   6.151% *  0.1018% (0.22   0.02   0.02) =   0.007%
          QG    GLU-  79 - HN    GLN   32  19.22 +/- 5.36   1.288% *  0.3660% (0.80   0.02   0.02) =   0.005%
          HB    VAL  107 - HN    GLN   32  20.43 +/- 1.84   0.561% *  0.3140% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  21.41 +/- 3.83   0.647% *  0.1271% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  23.45 +/- 3.94   0.471% *  0.1271% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  24.69 +/- 3.36   0.375% *  0.0705% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.41, residual support = 45.2:
      O   QB    GLN   32 - HN    GLN   32   2.15 +/- 0.10  97.289% * 99.6924% (0.90  10.0   4.41  45.23) =  99.997%  kept
          HG3   GLU- 100 - HN    GLN   32  12.07 +/- 3.14   1.272% *  0.1090% (0.98   1.0   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    GLN   32  11.63 +/- 0.81   0.654% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  17.97 +/- 4.85   0.608% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  21.31 +/- 5.44   0.176% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.781, support = 2.89, residual support = 5.32:
          HB3   GLN   30 - HN    GLN   32   5.05 +/- 0.37  41.724% * 73.5869% (0.99   2.49   1.81) =  73.481%  kept
          QB    LYS+  33 - HN    GLN   32   4.83 +/- 0.41  46.680% * 23.6304% (0.20   4.01  15.12) =  26.399%  kept
          HB3   LYS+  38 - HN    GLN   32  11.21 +/- 1.73   6.891% *  0.5343% (0.90   0.02   0.02) =   0.088%
          HB3   PRO   58 - HN    GLN   32  24.71 +/- 4.16   0.704% *  0.5343% (0.90   0.02   0.02) =   0.009%
          HB2   MET   92 - HN    GLN   32  25.86 +/- 4.04   0.375% *  0.5905% (0.99   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    GLN   32  17.81 +/- 2.31   1.051% *  0.2032% (0.34   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   32  25.10 +/- 2.81   0.459% *  0.4553% (0.76   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    GLN   32  22.83 +/- 6.64   0.795% *  0.1839% (0.31   0.02   0.02) =   0.003%
          HG3   MET   11 - HN    GLN   32  20.43 +/- 5.00   1.004% *  0.1326% (0.22   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    GLN   32  28.82 +/- 5.57   0.318% *  0.1486% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 44.0:
          HB2   LEU   31 - HN    GLN   32   3.01 +/- 0.43  85.259% * 97.3735% (0.98   5.93  44.03) =  99.959%  kept
          HG2   LYS+  38 - HN    GLN   32  10.31 +/- 1.91   4.723% *  0.2032% (0.61   0.02   0.02) =   0.012%
          HG    LEU   98 - HN    GLN   32  12.94 +/- 3.69   2.843% *  0.2167% (0.65   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HN    GLN   32  12.13 +/- 2.90   2.455% *  0.2433% (0.73   0.02   0.02) =   0.007%
          QB    ALA  124 - HN    GLN   32  18.49 +/- 6.59   1.412% *  0.2560% (0.76   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    GLN   32  17.55 +/- 3.21   0.906% *  0.3233% (0.97   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    GLN   32  18.17 +/- 2.92   0.661% *  0.3004% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    GLN   32  22.43 +/- 7.80   0.553% *  0.3343% (1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    GLN   32  21.21 +/- 5.12   0.429% *  0.1763% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    GLN   32  22.50 +/- 3.15   0.342% *  0.1631% (0.49   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLN   32  27.14 +/- 2.84   0.148% *  0.3169% (0.95   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLN   32  24.16 +/- 5.07   0.268% *  0.0931% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 44.0:
          HB3   LEU   31 - HN    GLN   32   4.00 +/- 0.19  85.551% * 98.9139% (0.98   5.93  44.03) =  99.969%  kept
          QG1   VAL   24 - HN    GLN   32  10.40 +/- 0.56   5.039% *  0.1927% (0.57   0.02   0.02) =   0.011%
          QB    ALA   20 - HN    GLN   32  11.14 +/- 1.65   5.175% *  0.1791% (0.53   0.02   0.02) =   0.011%
          HG13  ILE  119 - HN    GLN   32  20.38 +/- 4.02   1.171% *  0.3284% (0.97   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    GLN   32  17.11 +/- 1.88   1.248% *  0.0849% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    GLN   32  26.99 +/- 4.08   0.432% *  0.2338% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    GLN   32  19.60 +/- 5.97   1.385% *  0.0673% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.43, residual support = 15.1:
          QG    GLN   32 - HN    LYS+  33   4.23 +/- 0.23  96.008% * 98.6656% (0.84   4.43  15.12) =  99.986%  kept
          QG    GLU-  79 - HN    LYS+  33  20.13 +/- 5.02   1.541% *  0.2807% (0.53   0.02   0.02) =   0.005%
          HB    VAL  107 - HN    LYS+  33  20.87 +/- 1.28   0.851% *  0.4924% (0.92   0.02   0.02) =   0.004%
          QE    LYS+ 112 - HN    LYS+  33  23.84 +/- 3.81   0.808% *  0.2807% (0.53   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    LYS+  33  22.21 +/- 3.21   0.791% *  0.2807% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 15.1:
          QB    GLN   32 - HN    LYS+  33   2.73 +/- 0.22  92.561% * 98.5992% (1.00   4.60  15.12) =  99.974%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.35 +/- 3.15   3.038% *  0.3435% (0.80   0.02   0.02) =   0.011%
          HB2   PRO   68 - HN    LYS+  33  17.32 +/- 4.82   2.312% *  0.3960% (0.92   0.02   0.02) =   0.010%
          HB    VAL   24 - HN    LYS+  33  13.43 +/- 0.54   0.810% *  0.4252% (0.99   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HN    LYS+  33  14.86 +/- 4.00   1.048% *  0.0662% (0.15   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    LYS+  33  25.24 +/- 3.22   0.160% *  0.0849% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  30.86 +/- 2.76   0.071% *  0.0849% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.964, support = 6.1, residual support = 154.3:
      O   QB    LYS+  33 - HN    LYS+  33   2.46 +/- 0.28  84.837% * 97.3519% (0.97  10.0   6.11 154.56) =  99.816%  kept
          HB3   GLN   30 - HN    LYS+  33   5.59 +/- 0.40   8.215% *  1.8033% (0.38   1.0   0.95   0.51) =   0.179%  kept
          HB3   LYS+  38 - HN    LYS+  33  10.34 +/- 1.67   3.520% *  0.0571% (0.57   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    LYS+  33  17.67 +/- 4.63   1.124% *  0.0808% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  33  16.54 +/- 2.81   0.528% *  0.0843% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LYS+  33  17.32 +/- 2.60   0.389% *  0.0905% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.27 +/- 1.47   0.233% *  0.1007% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  23.93 +/- 6.16   0.148% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  21.63 +/- 6.34   0.535% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.65 +/- 2.57   0.091% *  0.0733% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  29.89 +/- 4.85   0.062% *  0.1000% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.78 +/- 3.37   0.064% *  0.0875% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.73 +/- 3.27   0.074% *  0.0252% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  25.03 +/- 3.75   0.126% *  0.0137% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  30.22 +/- 2.42   0.053% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 154.6:
          HG2   LYS+  33 - HN    LYS+  33   3.37 +/- 0.31  98.931% * 98.6695% (0.61   4.62 154.56) =  99.993%  kept
          HG2   LYS+ 106 - HN    LYS+  33  19.74 +/- 2.14   0.600% *  0.6800% (0.97   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LYS+  33  23.67 +/- 5.89   0.469% *  0.6505% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.79 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 = 0.367, support = 5.62, residual support = 144.6:
          HG3   LYS+  33 - HN    LYS+  33   2.57 +/- 0.80  74.303% * 71.9635% (0.38   5.83 154.56) =  93.524%  kept
          HB2   LEU   31 - HN    LYS+  33   5.21 +/- 0.30  16.376% * 22.3705% (0.25   2.73   0.99) =   6.408%  kept
          HG    LEU   98 - HN    LYS+  33  13.07 +/- 2.66   2.246% *  0.5709% (0.87   0.02   0.02) =   0.022%
          HB3   LEU   73 - HN    LYS+  33  13.21 +/- 4.49   1.611% *  0.3463% (0.53   0.02   0.02) =   0.010%
          QB    ALA  124 - HN    LYS+  33  18.04 +/- 6.78   0.626% *  0.5030% (0.76   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    LYS+  33  13.02 +/- 1.98   1.045% *  0.2951% (0.45   0.02   0.02) =   0.005%
          HB2   LEU   63 - HN    LYS+  33  17.76 +/- 3.00   0.815% *  0.3203% (0.49   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HN    LYS+  33  16.45 +/- 2.87   0.615% *  0.3726% (0.57   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    LYS+  33  22.20 +/- 4.56   0.305% *  0.6226% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LYS+  33  18.93 +/- 1.94   0.355% *  0.5030% (0.76   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  33  23.18 +/- 2.89   0.271% *  0.6351% (0.97   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LYS+  33  18.68 +/- 2.43   0.380% *  0.3992% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    LYS+  33  23.63 +/- 7.21   0.462% *  0.2470% (0.38   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LYS+  33  20.43 +/- 3.49   0.325% *  0.2951% (0.45   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LYS+  33  27.28 +/- 3.11   0.158% *  0.4257% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  27.80 +/- 2.48   0.106% *  0.1302% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.807, residual support = 0.992:
          QD2   LEU   31 - HN    LYS+  33   5.19 +/- 0.24  94.551% * 93.1031% (0.65   0.81   0.99) =  99.785%  kept
          QG2   VAL   83 - HN    LYS+  33  19.58 +/- 5.10   3.662% *  3.5289% (0.99   0.02   0.02) =   0.146%  kept
          QD1   ILE   89 - HN    LYS+  33  21.55 +/- 3.72   1.786% *  3.3680% (0.95   0.02   0.02) =   0.068%
    Distance limit 4.74 A violated in 0 structures by 0.45 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.887, support = 3.21, residual support = 5.2:
          HA    LYS+  33 - HN    ASN   35   3.48 +/- 0.14  47.433% * 76.2466% (0.98   3.41   5.56) =  84.839%  kept
          HA    GLN   32 - HN    ASN   35   3.93 +/- 0.23  33.796% * 18.3109% (0.38   2.14   3.33) =  14.517%  kept
          HB2   SER   37 - HN    ASN   35   6.60 +/- 0.83   8.253% *  2.8170% (0.15   0.80   0.02) =   0.545%  kept
          HA    GLU-  29 - HN    ASN   35   7.97 +/- 0.70   4.529% *  0.4546% (1.00   0.02   0.02) =   0.048%
          HA    VAL   70 - HN    ASN   35  11.36 +/- 2.74   4.306% *  0.3482% (0.76   0.02   0.02) =   0.035%
          HA    VAL   18 - HN    ASN   35  14.12 +/- 2.24   0.943% *  0.4515% (0.99   0.02   0.02) =   0.010%
          HB2   SER   82 - HN    ASN   35  26.62 +/- 7.26   0.227% *  0.4397% (0.97   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    ASN   35  22.87 +/- 3.31   0.212% *  0.3482% (0.76   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ASN   35  27.32 +/- 3.87   0.126% *  0.2947% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  30.10 +/- 4.79   0.101% *  0.1873% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  30.29 +/- 1.96   0.074% *  0.1014% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 51.6:
          HA    GLU-  36 - HN    ASN   35   5.04 +/- 0.14  79.586% * 98.5266% (0.97   3.96  51.65) =  99.954%  kept
          HA    ALA  124 - HN    ASN   35  20.44 +/- 7.80   3.694% *  0.4127% (0.80   0.02   0.02) =   0.019%
          HA    ASN   28 - HN    ASN   35   9.16 +/- 0.77  14.491% *  0.1020% (0.20   0.02   0.02) =   0.019%
          HA    LYS+  81 - HN    ASN   35  27.17 +/- 4.92   0.666% *  0.5143% (1.00   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    ASN   35  28.64 +/- 2.98   0.510% *  0.3541% (0.69   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASN   35  22.27 +/- 2.48   1.053% *  0.0903% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.85 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 5.56, residual support = 50.8:
      O   HB2   ASN   35 - HN    ASN   35   3.03 +/- 0.51  77.752% * 71.1576% (0.31  10.0   5.83  54.66) =  92.077%  kept
          QE    LYS+  33 - HN    ASN   35   6.01 +/- 0.78  16.969% * 28.0146% (1.00   1.0   2.44   5.56) =   7.912%  kept
          HB2   ASN   28 - HN    ASN   35  10.92 +/- 0.89   2.018% *  0.2225% (0.97   1.0   0.02   0.02) =   0.007%
          HB2   ASN   69 - HN    ASN   35  13.80 +/- 3.87   2.035% *  0.0404% (0.18   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASN   35  19.74 +/- 2.42   0.395% *  0.2000% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ASN   35  25.97 +/- 5.95   0.392% *  0.1491% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  26.39 +/- 3.05   0.164% *  0.1584% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  22.58 +/- 2.71   0.275% *  0.0575% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 3.45, residual support = 21.0:
          QB    ALA   34 - HN    ASN   35   3.01 +/- 0.04  79.461% * 98.0745% (0.92   3.45  21.05) =  99.928%  kept
          HG3   LYS+  38 - HN    ASN   35   7.01 +/- 1.03   8.752% *  0.3488% (0.57   0.02   0.02) =   0.039%
          QG2   THR   39 - HN    ASN   35   6.96 +/- 1.41  10.278% *  0.1901% (0.31   0.02   0.02) =   0.025%
          QG2   THR   23 - HN    ASN   35  14.93 +/- 0.95   0.681% *  0.6038% (0.98   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    ASN   35  21.59 +/- 1.70   0.237% *  0.4708% (0.76   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ASN   35  23.59 +/- 3.29   0.251% *  0.1901% (0.31   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ASN   35  19.37 +/- 2.03   0.341% *  0.1219% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.9, residual support = 105.7:
      O   HB2   ASN   28 - HD21  ASN   28   3.94 +/- 0.04  84.499% * 99.6076% (0.97  10.0   3.90 105.74) =  99.984%  kept
          HB2   ASP-  86 - HD21  ASN   28  19.68 +/- 8.95   7.016% *  0.0953% (0.92   1.0   0.02   0.02) =   0.008%
          QE    LYS+  33 - HD21  ASN   28  12.16 +/- 0.83   3.092% *  0.0926% (0.90   1.0   0.02   0.02) =   0.003%
          QE    LYS+  65 - HD21  ASN   28  18.46 +/- 4.24   1.619% *  0.1032% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HD21  ASN   28  13.60 +/- 1.92   2.508% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  19.44 +/- 5.62   1.266% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.53, residual support = 105.5:
      O   HB3   ASN   28 - HD21  ASN   28   4.04 +/- 0.04  82.905% * 97.2084% (0.90  10.0   3.54 105.74) =  99.681%  kept
          HG2   GLN   30 - HD21  ASN   28   8.62 +/- 0.79   9.465% *  2.6722% (1.00   1.0   0.49  16.71) =   0.313%  kept
          QE    LYS+ 121 - HD21  ASN   28  18.64 +/- 6.20   4.561% *  0.0787% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   HIS  122 - HD21  ASN   28  19.48 +/- 6.18   3.070% *  0.0407% (0.38   1.0   0.02   0.02) =   0.002%
    Distance limit 3.93 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 = 0.763, support = 1.83, residual support = 14.5:
          QG2   VAL   24 - HD21  ASN   28   2.55 +/- 0.79  87.867% * 96.8609% (0.76   1.83  14.53) =  99.902%  kept
          HG    LEU   63 - HD21  ASN   28  17.31 +/- 4.82   3.179% *  1.2426% (0.90   0.02   0.02) =   0.046%
          HG3   LYS+ 112 - HD21  ASN   28  24.27 +/- 4.85   2.026% *  1.3372% (0.97   0.02   0.02) =   0.032%
          HB2   LEU  104 - HD21  ASN   28  17.27 +/- 4.90   5.653% *  0.2138% (0.15   0.02   0.40) =   0.014%
          QG2   VAL  108 - HD21  ASN   28  17.71 +/- 4.45   1.274% *  0.3455% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.97 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 50.9:
      O   HA    TRP   27 - HN    ASN   28   3.61 +/- 0.02  97.608% * 99.7755% (1.00  10.0   5.65  50.86) =  99.998%  kept
          HA    ALA   91 - HN    ASN   28  22.92 +/- 6.62   1.387% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  21.35 +/- 3.55   0.747% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASN   28  27.36 +/- 3.39   0.259% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.5, residual support = 14.5:
          HA    VAL   24 - HN    ASN   28   3.89 +/- 0.36  94.260% * 99.5258% (0.92   6.50  14.53) =  99.990%  kept
          HD2   PRO   68 - HN    ASN   28  18.37 +/- 3.92   1.976% *  0.2013% (0.61   0.02   0.02) =   0.004%
          HA    LYS+  38 - HN    ASN   28  13.90 +/- 1.81   2.513% *  0.1365% (0.41   0.02   0.02) =   0.004%
          HA    ALA   61 - HN    ASN   28  18.46 +/- 3.56   1.250% *  0.1365% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.43 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 = 50.9:
          HB2   TRP   27 - HN    ASN   28   3.23 +/- 0.29  98.556% * 99.2741% (0.80   5.59  50.86) =  99.995%  kept
          HA    THR   77 - HN    ASN   28  17.70 +/- 5.23   1.009% *  0.3706% (0.84   0.02   0.02) =   0.004%
          HD2   PRO   93 - HN    ASN   28  22.53 +/- 4.31   0.434% *  0.3553% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 105.7:
      O   HB2   ASN   28 - HN    ASN   28   2.44 +/- 0.26  95.746% * 99.6076% (0.97  10.0   6.96 105.74) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   28   9.93 +/- 0.89   1.821% *  0.0926% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   28  21.32 +/- 8.05   0.781% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASN   28  18.01 +/- 4.09   0.558% *  0.1032% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  12.92 +/- 1.44   0.771% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   28  20.07 +/- 5.74   0.322% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 6.44, residual support = 103.6:
      O   HB3   ASN   28 - HN    ASN   28   3.47 +/- 0.29  76.181% * 91.3519% (0.90  10.0   6.55 105.74) =  97.571%  kept
          HG2   GLN   30 - HN    ASN   28   5.74 +/- 0.70  20.270% *  8.5359% (1.00   1.0   1.68  16.71) =   2.426%  kept
          QE    LYS+ 121 - HN    ASN   28  18.54 +/- 5.51   1.960% *  0.0740% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    ASN   28  18.92 +/- 6.03   1.589% *  0.0382% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 0.553, support = 2.52, residual support = 17.9:
          HB2   GLU-  25 - HN    ASN   28   5.66 +/- 0.24  40.172% * 52.9485% (0.90   1.06   3.86) =  50.675%  kept
          HG3   GLU-  29 - HN    ASN   28   5.39 +/- 0.48  46.482% * 44.3424% (0.20   4.04  32.54) =  49.104%  kept
          QG    GLN   17 - HN    ASN   28  12.96 +/- 2.86   5.338% *  0.8883% (0.80   0.02   0.02) =   0.113%  kept
          HB    VAL   70 - HN    ASN   28  15.52 +/- 2.52   2.389% *  0.8055% (0.73   0.02   0.02) =   0.046%
          HB2   LYS+  38 - HN    ASN   28  16.11 +/- 2.06   1.993% *  0.6728% (0.61   0.02   0.02) =   0.032%
          HB2   MET   96 - HN    ASN   28  14.89 +/- 3.82   3.625% *  0.3424% (0.31   0.02   0.02) =   0.030%
    Distance limit 4.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.483, support = 3.58, residual support = 14.5:
          QG2   VAL   24 - HN    ASN   28   3.66 +/- 0.49  67.894% * 57.7938% (0.45   4.00  14.53) =  78.155%  kept
          QG1   VAL   24 - HN    ASN   28   5.17 +/- 0.42  26.648% * 41.0981% (0.61   2.10  14.53) =  21.814%  kept
          HG    LEU   63 - HN    ASN   28  17.01 +/- 4.53   3.939% *  0.1990% (0.31   0.02   0.02) =   0.016%
          QG1   VAL  107 - HN    ASN   28  16.91 +/- 2.88   1.048% *  0.5953% (0.92   0.02   0.02) =   0.012%
          HD3   LYS+ 112 - HN    ASN   28  25.53 +/- 5.26   0.471% *  0.3139% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.70 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 = 0.434, support = 2.24, residual support = 0.702:
          QD2   LEU   80 - HN    ASN   28  14.05 +/- 8.45  21.204% * 33.5637% (0.45   2.21   0.70) =  35.146%  kept
          QD1   LEU   73 - HN    ASN   28   7.28 +/- 4.90  35.275% * 18.0217% (0.15   3.45   1.14) =  31.394%  kept
          QD1   LEU  104 - HN    ASN   28  13.57 +/- 4.57  15.457% * 31.5500% (0.69   1.36   0.40) =  24.083%  kept
          QG1   VAL   83 - HN    ASN   28  15.56 +/- 7.37  10.186% * 11.3922% (1.00   0.34   0.02) =   5.731%  kept
          QD1   LEU   63 - HN    ASN   28  13.80 +/- 4.08  15.167% *  4.8108% (0.15   0.92   0.02) =   3.603%  kept
          QG2   ILE   89 - HN    ASN   28  18.31 +/- 4.77   1.145% *  0.3833% (0.57   0.02   0.02) =   0.022%
          QD2   LEU  115 - HN    ASN   28  17.91 +/- 3.38   1.566% *  0.2783% (0.41   0.02   0.02) =   0.022%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.03, residual support = 23.2:
          HA    VAL   24 - HN    TRP   27   3.00 +/- 0.17  95.194% * 99.0244% (0.99   3.04  23.22) =  99.992%  kept
          HA    LYS+  38 - HN    TRP   27  15.23 +/- 1.67   0.835% *  0.4781% (0.73   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    TRP   27  18.29 +/- 3.52   0.836% *  0.2032% (0.31   0.02   0.02) =   0.002%
          HA    VAL   24 - HN    ALA   91  20.91 +/- 6.15   1.030% *  0.0806% (0.12   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    TRP   27  17.60 +/- 3.75   0.655% *  0.1153% (0.18   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    ALA   91  17.20 +/- 3.54   0.985% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  23.84 +/- 3.45   0.347% *  0.0251% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  28.72 +/- 2.73   0.117% *  0.0591% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.39, residual support = 107.2:
      O   HB2   TRP   27 - HN    TRP   27   2.06 +/- 0.06  94.482% * 99.8160% (0.99  10.0   5.39 107.21) =  99.999%  kept
          HD2   PRO   93 - HN    ALA   91   7.34 +/- 0.50   2.197% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.82 +/- 4.23   0.262% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  17.01 +/- 5.36   0.352% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   9.15 +/- 3.27   2.427% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  21.16 +/- 5.65   0.279% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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   3.20 +/- 0.19  86.881% * 99.6559% (0.99  10.0   5.64 107.21) =  99.993%  kept
          HB2   PHE   97 - HN    TRP   27  16.90 +/- 3.85   2.816% *  0.0986% (0.98   1.0   0.02   0.02) =   0.003%
          QE    LYS+  99 - HN    TRP   27  14.94 +/- 3.40   2.472% *  0.0529% (0.53   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HN    TRP   27  18.02 +/- 3.70   0.778% *  0.0610% (0.61   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    TRP   27  15.64 +/- 2.99   1.279% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.97 +/- 3.43   0.731% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.51 +/- 4.07   0.888% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  20.74 +/- 5.29   0.756% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  15.68 +/- 2.76   1.051% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.20 +/- 2.66   1.281% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  20.02 +/- 1.55   0.377% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  23.58 +/- 1.72   0.231% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  27.05 +/- 2.91   0.168% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  22.09 +/- 2.42   0.292% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.68, residual support = 1.34:
          HB3   CYS   21 - HN    TRP   27   6.42 +/- 2.75  72.746% * 96.0147% (0.53   0.68   1.34) =  99.486%  kept
          HG2   MET   96 - HN    TRP   27  16.12 +/- 3.58   8.991% *  3.2381% (0.61   0.02   0.02) =   0.415%  kept
          HG2   MET   96 - HN    ALA   91  15.00 +/- 1.88  11.415% *  0.4001% (0.07   0.02   0.02) =   0.065%
          HB3   CYS   21 - HN    ALA   91  20.37 +/- 5.62   6.848% *  0.3471% (0.07   0.02   0.02) =   0.034%
    Distance limit 4.41 A violated in 12 structures by 2.48 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.45, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.28 +/- 0.47  79.661% * 94.8695% (0.98   4.46  22.69) =  99.817%  kept
          HB2   LYS+  74 - HN    TRP   27  12.01 +/- 4.27   3.610% *  3.1393% (0.80   0.18   0.02) =   0.150%  kept
          HG2   LYS+  65 - HN    TRP   27  18.32 +/- 4.81   1.533% *  0.4331% (1.00   0.02   0.02) =   0.009%
          HD2   LYS+ 121 - HN    TRP   27  20.31 +/- 5.88   1.085% *  0.4331% (1.00   0.02   0.02) =   0.006%
          QD    LYS+  66 - HN    TRP   27  18.96 +/- 4.07   1.312% *  0.3317% (0.76   0.02   0.02) =   0.006%
          HG    LEU  104 - HN    TRP   27  17.60 +/- 5.26   3.250% *  0.1207% (0.28   0.02   1.54) =   0.005%
          HB3   LYS+ 121 - HN    TRP   27  20.02 +/- 5.87   1.020% *  0.1207% (0.28   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    TRP   27  14.49 +/- 4.12   1.574% *  0.0760% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    TRP   27  14.43 +/- 2.24   1.198% *  0.0859% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA   91  21.56 +/- 4.68   0.786% *  0.0535% (0.12   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    TRP   27  24.65 +/- 3.48   0.396% *  0.0859% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  16.89 +/- 1.58   0.763% *  0.0429% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  20.77 +/- 4.50   0.599% *  0.0526% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  22.46 +/- 3.06   0.358% *  0.0410% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  24.22 +/- 1.59   0.245% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  15.75 +/- 1.54   0.922% *  0.0106% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  16.10 +/- 1.87   0.848% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  23.52 +/- 2.03   0.276% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.88 +/- 1.87   0.267% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  23.43 +/- 2.39   0.298% *  0.0106% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.906, support = 2.82, residual support = 15.2:
          QD1   LEU   73 - HN    TRP   27   6.78 +/- 5.03  29.948% * 47.6145% (1.00   3.29  21.83) =  65.445%  kept
          QD2   LEU   80 - HN    TRP   27  13.50 +/- 8.47  17.809% * 25.3201% (0.76   2.29   3.83) =  20.695%  kept
          QD1   LEU  104 - HN    TRP   27  14.20 +/- 5.00  12.853% * 14.3664% (0.53   1.88   1.54) =   8.475%  kept
          QD1   LEU   63 - HN    TRP   27  13.60 +/- 4.06   9.977% *  9.9491% (1.00   0.69   0.47) =   4.556%  kept
          QD2   LEU   63 - HN    TRP   27  13.65 +/- 3.82   7.903% *  2.1176% (0.61   0.24   0.47) =   0.768%  kept
          QG1   VAL   83 - HN    TRP   27  15.39 +/- 6.94   4.470% *  0.1827% (0.15   0.08   0.02) =   0.037%
          QG2   VAL   41 - HN    TRP   27  11.60 +/- 3.65   4.144% *  0.0392% (0.14   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    TRP   27  17.51 +/- 3.33   0.589% *  0.2320% (0.80   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    ALA   91  15.30 +/- 2.89   2.005% *  0.0357% (0.12   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   91  11.81 +/- 1.81   2.086% *  0.0274% (0.09   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   91   9.60 +/- 1.95   5.239% *  0.0055% (0.02   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   91  16.54 +/- 3.24   0.637% *  0.0357% (0.12   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    ALA   91  14.83 +/- 1.47   0.782% *  0.0287% (0.10   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  17.50 +/- 3.07   0.557% *  0.0217% (0.07   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  20.38 +/- 2.18   0.305% *  0.0188% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.49 +/- 2.49   0.697% *  0.0048% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.904, support = 0.02, residual support = 0.798:
          QG2   VAL   75 - HN    TRP   27  10.78 +/- 4.37  37.410% * 43.3149% (0.95   0.02   1.22) =  55.811%  kept
          QG2   VAL   42 - HN    TRP   27  11.93 +/- 2.00  23.407% * 45.6877% (1.00   0.02   0.32) =  36.834%  kept
          QG2   VAL   75 - HN    ALA   91  11.62 +/- 2.25  26.164% *  5.3521% (0.12   0.02   0.02) =   4.823%  kept
          QG2   VAL   42 - HN    ALA   91  15.47 +/- 2.00  13.019% *  5.6453% (0.12   0.02   0.02) =   2.531%  kept
    Distance limit 4.60 A violated in 19 structures by 3.49 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   6.37 +/- 0.11  78.126% * 98.3444% (1.00   2.70 107.21) =  99.816%  kept
          HA    ALA   91 - HE1   TRP   27  20.28 +/- 7.38  14.888% *  0.6905% (0.95   0.02   0.02) =   0.134%  kept
          HA    VAL  107 - HE1   TRP   27  19.09 +/- 4.79   5.357% *  0.6097% (0.84   0.02   0.02) =   0.042%
          HA    PRO   52 - HE1   TRP   27  25.06 +/- 3.75   1.629% *  0.3553% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.98 A violated in 1 structures by 1.35 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.877, support = 1.53, residual support = 13.6:
          QD1   LEU   73 - HE1   TRP   27   6.91 +/- 4.10  29.923% * 39.1950% (0.87   1.95  21.83) =  57.797%  kept
          QD2   LEU   80 - HE1   TRP   27  12.34 +/- 8.00  15.422% * 28.1419% (0.99   1.23   3.83) =  21.387%  kept
          QD1   LEU  104 - HE1   TRP   27  12.83 +/- 4.57  12.504% * 19.0199% (0.87   0.95   1.54) =  11.720%  kept
          QD1   LEU   63 - HE1   TRP   27  12.65 +/- 4.13  13.646% *  7.9659% (0.87   0.40   0.47) =   5.357%  kept
          QG1   VAL   83 - HE1   TRP   27  13.05 +/- 7.83  19.446% *  3.4797% (0.41   0.37   0.02) =   3.335%  kept
          QD2   LEU   63 - HE1   TRP   27  13.20 +/- 3.71   3.180% *  1.7355% (0.28   0.27   0.47) =   0.272%  kept
          QD2   LEU  115 - HE1   TRP   27  16.51 +/- 4.05   5.880% *  0.4622% (1.00   0.02   0.02) =   0.134%  kept
    Distance limit 4.57 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.493, support = 1.71, residual support = 19.9:
          QD2   LEU   31 - HE1   TRP   27   3.87 +/- 0.96  65.189% * 59.0314% (0.31   2.17  26.15) =  72.961%  kept
          QG2   VAL   43 - HE1   TRP   27   9.37 +/- 5.27  34.811% * 40.9686% (0.99   0.47   3.03) =  27.039%  kept
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.77, residual support = 32.1:
          HB2   GLU-  25 - HN    THR   26   2.92 +/- 0.26  83.063% * 98.9909% (0.90   5.78  32.09) =  99.977%  kept
          HG3   GLU-  29 - HN    THR   26   5.63 +/- 0.60  13.545% *  0.0756% (0.20   0.02   0.68) =   0.012%
          QG    GLN   17 - HN    THR   26  13.25 +/- 2.94   2.024% *  0.3061% (0.80   0.02   0.02) =   0.008%
          HB    VAL   70 - HN    THR   26  17.66 +/- 2.40   0.483% *  0.2776% (0.73   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    THR   26  19.13 +/- 1.82   0.359% *  0.2318% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  17.23 +/- 3.31   0.526% *  0.1180% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.565, support = 5.22, residual support = 32.0:
          HB3   GLU-  25 - HN    THR   26   3.52 +/- 0.28  69.136% * 95.4716% (0.57   5.22  32.09) =  99.826%  kept
          HG3   GLN   30 - HN    THR   26   7.45 +/- 1.16   9.692% *  0.5392% (0.84   0.02   4.73) =   0.079%
          HB2   GLN   30 - HN    THR   26   8.51 +/- 0.81   5.424% *  0.3396% (0.53   0.02   4.73) =   0.028%
          QB    GLU-  15 - HN    THR   26  14.38 +/- 2.93   2.028% *  0.4933% (0.76   0.02   0.02) =   0.015%
          HB2   GLN   17 - HN    THR   26  14.07 +/- 3.19   1.986% *  0.4933% (0.76   0.02   0.02) =   0.015%
          HB    ILE   19 - HN    THR   26   8.83 +/- 1.49   6.925% *  0.1277% (0.20   0.02   0.02) =   0.013%
          HB3   PRO   68 - HN    THR   26  21.29 +/- 4.67   0.809% *  0.6441% (1.00   0.02   0.02) =   0.008%
          HB3   GLU- 100 - HN    THR   26  19.54 +/- 4.41   1.000% *  0.3915% (0.61   0.02   0.02) =   0.006%
          HB    ILE  119 - HN    THR   26  22.72 +/- 5.44   0.778% *  0.3396% (0.53   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HN    THR   26  27.29 +/- 4.13   0.256% *  0.5392% (0.84   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    THR   26  22.97 +/- 4.29   0.680% *  0.1610% (0.25   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    THR   26  21.10 +/- 4.49   0.715% *  0.0996% (0.15   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  23.96 +/- 3.66   0.347% *  0.1992% (0.31   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   26  27.35 +/- 4.33   0.224% *  0.1610% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.45, residual support = 34.8:
          QG2   THR   26 - HN    THR   26   3.53 +/- 0.19  88.023% * 98.0814% (0.95   4.45  34.78) =  99.954%  kept
          HB2   LYS+  74 - HN    THR   26  13.52 +/- 4.72   3.976% *  0.4617% (0.99   0.02   0.02) =   0.021%
          HD2   LYS+ 121 - HN    THR   26  22.04 +/- 6.39   2.236% *  0.3891% (0.84   0.02   0.02) =   0.010%
          HG2   LYS+  65 - HN    THR   26  19.79 +/- 5.38   1.351% *  0.4178% (0.90   0.02   0.02) =   0.007%
          QD    LYS+  66 - HN    THR   26  20.42 +/- 4.45   1.154% *  0.2088% (0.45   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  16.59 +/- 2.24   1.026% *  0.2088% (0.45   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  20.37 +/- 5.59   1.508% *  0.1162% (0.25   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    THR   26  22.98 +/- 4.52   0.725% *  0.1162% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 0.69, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.93 +/- 0.33  28.392% * 11.0578% (0.69   0.02   0.02) =  32.464%  kept
          HG2   LYS+  99 - HN    THR   26  18.88 +/- 4.10  10.620% * 15.5357% (0.97   0.02   0.02) =  17.060%  kept
          HB3   LEU   80 - HN    THR   26  19.51 +/- 8.87  15.792% *  8.4695% (0.53   0.02   0.02) =  13.831%  kept
          HG2   LYS+  38 - HN    THR   26  18.63 +/- 2.07   4.903% * 16.0623% (1.00   0.02   0.02) =   8.143%  kept
          QG2   THR   77 - HN    THR   26  16.17 +/- 3.55   8.884% *  7.8357% (0.49   0.02   0.02) =   7.199%  kept
          HB2   LEU   63 - HN    THR   26  18.35 +/- 4.02   9.113% *  6.6181% (0.41   0.02   0.02) =   6.236%  kept
          QB    ALA   88 - HN    THR   26  22.67 +/- 5.39   3.868% * 13.9639% (0.87   0.02   0.02) =   5.585%  kept
          HB3   ASP-  44 - HN    THR   26  17.79 +/- 3.74   7.203% *  4.9686% (0.31   0.02   0.02) =   3.701%  kept
          QB    ALA  124 - HN    THR   26  21.38 +/- 6.07   9.016% *  3.1858% (0.20   0.02   0.02) =   2.970%  kept
          HG2   LYS+ 111 - HN    THR   26  27.35 +/- 4.35   2.210% * 12.3026% (0.76   0.02   0.02) =   2.811%  kept
    Distance limit 4.66 A violated in 20 structures by 4.18 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 34.1:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.03  97.126% * 99.8455% (0.92  10.0   5.64  34.14) =  99.998%  kept
          HD2   PRO   68 - HN    GLU-  25  21.32 +/- 4.22   1.170% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    GLU-  25  19.97 +/- 4.19   0.877% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  18.38 +/- 1.92   0.827% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 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   2.85 +/- 0.42  88.435% * 99.5608% (0.61  10.0   6.14 127.38) =  99.992%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.41 +/- 0.74   5.795% *  0.0736% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    GLU-  25   9.14 +/- 0.75   3.244% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  14.62 +/- 3.41   0.989% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  20.50 +/- 2.17   0.294% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  24.83 +/- 7.64   0.858% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  18.75 +/- 2.70   0.384% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 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   2.59 +/- 0.68  86.390% * 98.7761% (0.57  10.0   5.86 127.38) =  99.985%  kept
          HG3   GLN   30 - HN    GLU-  25   9.76 +/- 1.00   2.240% *  0.1457% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   GLN   17 - HN    GLU-  25  15.64 +/- 3.73   1.308% *  0.1333% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    GLU-  25  10.45 +/- 0.64   1.892% *  0.0918% (0.53   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    GLU-  25  22.54 +/- 5.09   0.747% *  0.1741% (1.00   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    GLU-  25  15.86 +/- 3.03   0.953% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  10.44 +/- 1.85   2.912% *  0.0345% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLU-  25  20.69 +/- 4.24   0.568% *  0.1058% (0.61   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  23.55 +/- 5.96   0.653% *  0.0918% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLU-  25  27.45 +/- 4.56   0.231% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  22.22 +/- 5.06   1.180% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  23.25 +/- 4.83   0.515% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  23.98 +/- 4.31   0.239% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  27.30 +/- 4.52   0.171% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.33, residual support = 6.39:
          QG2   THR   23 - HN    GLU-  25   4.31 +/- 0.43  89.832% * 98.6435% (0.73   3.34   6.40) =  99.960%  kept
          QG2   THR   77 - HN    GLU-  25  15.91 +/- 3.68   2.467% *  0.5915% (0.73   0.02   0.02) =   0.016%
          QB    ALA   34 - HN    GLU-  25  11.98 +/- 0.72   4.669% *  0.3057% (0.38   0.02   0.02) =   0.016%
          QB    ALA   88 - HN    GLU-  25  21.85 +/- 6.01   1.341% *  0.2779% (0.34   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    GLU-  25  19.94 +/- 3.42   1.691% *  0.1814% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.54, residual support = 34.1:
          QG2   VAL   24 - HN    GLU-  25   3.26 +/- 0.38  95.123% * 99.2342% (0.97   4.54  34.14) =  99.984%  kept
          HG    LEU   63 - HN    GLU-  25  19.41 +/- 5.24   3.143% *  0.3928% (0.87   0.02   0.02) =   0.013%
          QG1   VAL  107 - HN    GLU-  25  18.89 +/- 3.50   1.242% *  0.1700% (0.38   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HN    GLU-  25  26.02 +/- 5.13   0.491% *  0.2030% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.58 +/- 0.75  95.580% * 99.4309% (0.97   5.27 127.38) =  99.993%  kept
          HB3   PHE   95 - HN    GLU-  25  19.89 +/- 3.04   1.264% *  0.1903% (0.49   0.02   0.02) =   0.003%
          HG2   GLN  116 - HN    GLU-  25  25.61 +/- 6.07   1.303% *  0.1607% (0.41   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    GLU-  25  22.95 +/- 6.38   0.961% *  0.1207% (0.31   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  25  26.29 +/- 5.96   0.893% *  0.0975% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.0:
      O   HA    VAL   24 - HN    VAL   24   2.74 +/- 0.06  98.291% * 99.8455% (0.92  10.0   4.34  64.99) =  99.999%  kept
          HD2   PRO   68 - HN    VAL   24  20.45 +/- 4.18   0.735% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   24  18.25 +/- 4.31   0.633% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  18.94 +/- 2.17   0.341% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.0:
      O   HB    VAL   24 - HN    VAL   24   2.66 +/- 0.29  90.319% * 99.7135% (0.95  10.0   4.68  64.99) =  99.997%  kept
          HB3   GLU-  79 - HN    VAL   24  14.30 +/- 7.89   7.845% *  0.0163% (0.15   1.0   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    VAL   24  12.19 +/- 0.62   1.074% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  21.10 +/- 3.89   0.344% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  21.94 +/- 4.80   0.417% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.7:
          QG2   THR   23 - HN    VAL   24   4.09 +/- 0.28  89.846% * 99.1624% (0.73   5.43  25.75) =  99.973%  kept
          QG2   THR   77 - HN    VAL   24  14.07 +/- 3.64   3.687% *  0.3653% (0.73   0.02   0.02) =   0.015%
          QB    ALA   34 - HN    VAL   24  12.33 +/- 0.87   3.599% *  0.1888% (0.38   0.02   0.02) =   0.008%
          QB    ALA   88 - HN    VAL   24  20.35 +/- 5.53   1.411% *  0.1716% (0.34   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    VAL   24  18.32 +/- 3.35   1.457% *  0.1120% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.845, support = 4.17, residual support = 65.0:
          QG1   VAL   24 - HN    VAL   24   2.01 +/- 0.42  77.467% * 77.1655% (0.90   4.08  64.99) =  92.625%  kept
          QG2   VAL   24 - HN    VAL   24   3.51 +/- 0.43  21.724% * 21.9025% (0.20   5.25  64.99) =   7.373%  kept
          QG1   VAL  107 - HN    VAL   24  17.79 +/- 3.69   0.246% *  0.4175% (0.99   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    VAL   24  25.09 +/- 5.91   0.090% *  0.3373% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL   24  12.63 +/- 0.65   0.301% *  0.0938% (0.22   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  21.03 +/- 5.19   0.172% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.912, support = 1.82, residual support = 2.66:
          QD1   LEU   73 - HN    VAL   24   8.39 +/- 4.41  27.692% * 49.4695% (1.00   2.03   2.33) =  56.151%  kept
          QD2   LEU   80 - HN    VAL   24  12.44 +/- 8.25  26.938% * 32.5124% (0.76   1.74   3.77) =  35.899%  kept
          QD1   LEU   63 - HN    VAL   24  14.93 +/- 4.64  10.996% * 16.9318% (1.00   0.69   0.02) =   7.631%  kept
          QD1   LEU  104 - HN    VAL   24  16.63 +/- 5.35  13.941% *  0.2571% (0.53   0.02   0.02) =   0.147%  kept
          QD2   LEU   63 - HN    VAL   24  15.20 +/- 4.47   9.485% *  0.2964% (0.61   0.02   0.02) =   0.115%  kept
          QD2   LEU  115 - HN    VAL   24  18.19 +/- 4.11   1.870% *  0.3913% (0.80   0.02   0.02) =   0.030%
          QG1   VAL   83 - HN    VAL   24  14.58 +/- 6.72   6.615% *  0.0754% (0.15   0.02   0.02) =   0.020%
          QG2   VAL   41 - HN    VAL   24  13.87 +/- 3.25   2.464% *  0.0661% (0.14   0.02   0.02) =   0.007%
    Distance limit 3.87 A violated in 4 structures by 0.81 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 4.96, residual support = 21.3:
          HB2   HIS   22 - HN    THR   23   4.25 +/- 0.33  89.057% * 94.3452% (0.99   4.98  21.43) =  99.518%  kept
          HA    LEU   63 - HN    THR   23  17.61 +/- 4.79   7.224% *  5.6031% (0.84   0.35   0.02) =   0.479%  kept
          HA2   GLY  101 - HN    THR   23  21.40 +/- 4.93   3.719% *  0.0517% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.59, residual support = 21.4:
          HB3   HIS   22 - HN    THR   23   4.17 +/- 0.28  96.363% * 99.7156% (0.76   5.59  21.43) =  99.996%  kept
          HB2   PHE   95 - HN    THR   23  18.57 +/- 3.06   2.980% *  0.0924% (0.20   0.02   0.02) =   0.003%
          HD3   ARG+  54 - HN    THR   23  25.18 +/- 4.51   0.656% *  0.1920% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.34, residual support = 3.57:
          HB3   CYS   21 - HN    THR   23   4.77 +/- 1.14 100.000% *100.0000% (1.00   2.34   3.57) = 100.000%  kept
    Distance limit 4.59 A violated in 0 structures by 0.64 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.731, support = 1.91, residual support = 12.6:
          QG2   THR   26 - HN    THR   23   4.36 +/- 0.69  66.564% * 86.2678% (0.73   1.96  13.00) =  97.081%  kept
          HB2   LYS+  74 - HN    THR   23  10.73 +/- 5.72  16.266% *  9.9342% (0.95   0.17   0.02) =   2.732%  kept
          HG2   LYS+  65 - HN    THR   23  17.76 +/- 5.45   3.639% *  0.7836% (0.65   0.02   0.02) =   0.048%
          HD2   LYS+ 121 - HN    THR   23  21.35 +/- 6.08   4.096% *  0.6858% (0.57   0.02   0.02) =   0.047%
          QB    ALA  120 - HN    THR   23  19.42 +/- 5.78   3.977% *  0.5896% (0.49   0.02   0.02) =   0.040%
          HB3   LEU   40 - HN    THR   23  16.69 +/- 2.24   1.606% *  0.8796% (0.73   0.02   0.02) =   0.024%
          HG    LEU  115 - HN    THR   23  20.89 +/- 4.64   2.000% *  0.5896% (0.49   0.02   0.02) =   0.020%
          QD    LYS+  66 - HN    THR   23  19.16 +/- 4.29   1.853% *  0.2697% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.50 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.86, residual support = 19.3:
          QG2   THR   23 - HN    THR   23   2.96 +/- 0.51  94.983% * 97.7534% (0.41   4.86  19.30) =  99.974%  kept
          QG2   THR   77 - HN    THR   23  13.97 +/- 3.64   1.635% *  0.9436% (0.97   0.02   0.02) =   0.017%
          QB    ALA   88 - HN    THR   23  21.20 +/- 4.42   0.532% *  0.6325% (0.65   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    THR   23  11.89 +/- 0.92   1.808% *  0.1509% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    THR   23  19.99 +/- 4.37   0.655% *  0.2177% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    THR   23  20.40 +/- 2.02   0.385% *  0.3018% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 0.534, support = 0.708, residual support = 0.312:
          QD1   LEU   73 - HN    THR   23   7.83 +/- 4.82  28.783% * 36.7544% (0.53   0.81   0.43) =  54.698%  kept
          QD2   LEU   80 - HN    THR   23  13.04 +/- 8.08  17.575% * 18.0001% (0.20   1.06   0.25) =  16.357%  kept
          QD2   LEU   63 - HN    THR   23  14.02 +/- 4.34  12.613% * 23.1663% (1.00   0.27   0.02) =  15.108%  kept
          QD1   LEU   80 - HN    THR   23  14.30 +/- 8.30  14.031% * 16.2733% (0.45   0.42   0.25) =  11.806%  kept
          QD1   LEU   63 - HN    THR   23  14.06 +/- 4.25   6.709% *  3.5349% (0.53   0.08   0.02) =   1.226%  kept
          QG2   VAL   41 - HN    THR   23  13.39 +/- 3.15   6.458% *  1.1147% (0.65   0.02   0.02) =   0.372%  kept
          QD2   LEU   98 - HN    THR   23  14.96 +/- 2.88   7.832% *  0.7726% (0.45   0.02   0.02) =   0.313%  kept
          QD2   LEU  115 - HN    THR   23  17.28 +/- 3.89   6.000% *  0.3836% (0.22   0.02   0.02) =   0.119%  kept
    Distance limit 3.95 A violated in 4 structures by 1.22 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 35.2:
      O   HB3   HIS   22 - HN    HIS   22   3.28 +/- 0.57  99.514% * 99.9260% (0.98  10.0   3.46  35.21) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  25.11 +/- 4.31   0.486% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.265, support = 6.7, residual support = 169.7:
          HG3   ARG+  54 - HN    ARG+  54   3.91 +/- 0.63  43.078% * 95.1594% (0.26   6.74 170.76) =  99.380%  kept
          QB    ALA   57 - HN    ARG+  54   5.57 +/- 1.43  23.236% *  0.7757% (0.72   0.02   0.02) =   0.437%  kept
          QB    ALA   57 - HN    ASP-  62   5.69 +/- 0.97  17.496% *  0.1451% (0.14   0.02   0.02) =   0.062%
          HD3   LYS+ 111 - HN    ARG+  54  15.04 +/- 3.00   3.051% *  0.8127% (0.76   0.02   0.02) =   0.060%
          HD2   LYS+  74 - HN    ARG+  54  14.78 +/- 3.17   2.336% *  0.4550% (0.42   0.02   0.02) =   0.026%
          HD2   LYS+  74 - HN    ASP-  62  10.53 +/- 2.50   5.191% *  0.0851% (0.08   0.02   0.02) =   0.011%
          HB3   LEU  123 - HN    ARG+  54  22.16 +/- 2.01   0.289% *  0.9949% (0.93   0.02   0.02) =   0.007%
          HB3   LEU  123 - HN    ASP-  62  13.77 +/- 1.70   1.289% *  0.1862% (0.17   0.02   0.02) =   0.006%
          QD    LYS+  33 - HN    ARG+  54  25.89 +/- 2.72   0.178% *  0.9949% (0.93   0.02   0.02) =   0.004%
          HG3   ARG+  54 - HN    ASP-  62  12.53 +/- 2.40   2.717% *  0.0528% (0.05   0.02   0.02) =   0.003%
          QD    LYS+  33 - HN    ASP-  62  18.41 +/- 2.81   0.603% *  0.1862% (0.17   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HN    ASP-  62  17.30 +/- 1.19   0.536% *  0.1521% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.45, residual support = 30.6:
      O   HB2   CYS   21 - HN    CYS   21   2.69 +/- 0.44  94.093% * 99.8975% (0.90  10.0   3.45  30.58) =  99.999%  kept
          HB2   CYS   21 - HN    ILE  119  18.68 +/- 5.81   2.337% *  0.0316% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   PHE   45 - HN    CYS   21  16.52 +/- 4.84   0.945% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.83 +/- 4.24   0.534% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.44 +/- 1.64   1.233% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.77 +/- 2.07   0.857% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.45, residual support = 30.6:
      O   HB3   CYS   21 - HN    CYS   21   3.30 +/- 0.45  91.724% * 99.8170% (0.53  10.0   3.45  30.58) =  99.996%  kept
          HB3   CYS   21 - HN    ILE  119  19.01 +/- 6.17   5.669% *  0.0315% (0.17   1.0   0.02   0.02) =   0.002%
          HG2   MET   96 - HN    CYS   21  16.21 +/- 2.82   1.144% *  0.1151% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  14.67 +/- 2.67   1.463% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.598, support = 0.02, residual support = 0.16:
          HG    LEU  123 - HN    CYS   21  19.89 +/- 7.23  11.085% * 11.3569% (1.00   0.02   0.02) =  30.622%  kept
          HG    LEU  123 - HN    ILE  119   7.02 +/- 0.81  20.464% *  3.5886% (0.32   0.02   0.80) =  17.863%  kept
          HB    VAL   41 - HN    CYS   21  14.61 +/- 3.00   3.839% *  9.1141% (0.80   0.02   0.02) =   8.512%  kept
          HG12  ILE  103 - HN    CYS   21  18.40 +/- 2.88   1.801% * 10.5070% (0.92   0.02   0.02) =   4.603%  kept
          QB    LYS+  66 - HN    ILE  119  11.34 +/- 2.86   7.164% *  2.1815% (0.19   0.02   0.02) =   3.802%  kept
          HG2   PRO   93 - HN    CYS   21  18.67 +/- 4.65   3.809% *  3.8825% (0.34   0.02   0.02) =   3.597%  kept
          QB    LYS+  66 - HN    CYS   21  15.91 +/- 3.85   2.110% *  6.9036% (0.61   0.02   0.02) =   3.544%  kept
          HB3   ASP- 105 - HN    CYS   21  18.67 +/- 3.80   3.617% *  3.5131% (0.31   0.02   0.02) =   3.091%  kept
          QB    LYS+  33 - HN    CYS   21  12.11 +/- 1.91   4.893% *  2.5341% (0.22   0.02   0.02) =   3.016%  kept
          HB3   ASP- 105 - HN    ILE  119  10.07 +/- 3.57  10.290% *  1.1101% (0.10   0.02   0.02) =   2.779%  kept
          HB3   PRO   52 - HN    CYS   21  23.29 +/- 5.14   0.945% * 11.3569% (1.00   0.02   0.02) =   2.612%  kept
          HG12  ILE  103 - HN    ILE  119  15.73 +/- 3.81   3.165% *  3.3201% (0.29   0.02   0.02) =   2.556%  kept
          HB    VAL   41 - HN    ILE  119  15.35 +/- 3.55   2.533% *  2.8799% (0.25   0.02   0.02) =   1.774%  kept
          QB    LYS+ 102 - HN    CYS   21  18.92 +/- 3.74   3.516% *  1.9934% (0.18   0.02   0.02) =   1.705%  kept
          HG3   PRO   68 - HN    ILE  119  14.44 +/- 3.90   4.382% *  1.4786% (0.13   0.02   0.02) =   1.576%  kept
          HB    ILE  103 - HN    CYS   21  19.43 +/- 3.10   1.508% *  4.2718% (0.38   0.02   0.02) =   1.567%  kept
          HG3   PRO   68 - HN    CYS   21  18.55 +/- 3.10   1.322% *  4.6793% (0.41   0.02   0.02) =   1.505%  kept
          HB3   PRO   52 - HN    ILE  119  17.26 +/- 1.91   1.545% *  3.5886% (0.32   0.02   0.02) =   1.348%  kept
          HG2   PRO   93 - HN    ILE  119  13.56 +/- 1.45   2.956% *  1.2268% (0.11   0.02   0.02) =   0.882%  kept
          HG2   ARG+  54 - HN    CYS   21  22.60 +/- 4.46   0.826% *  3.8825% (0.34   0.02   0.02) =   0.780%  kept
          HB    ILE  103 - HN    ILE  119  16.36 +/- 3.70   2.243% *  1.3499% (0.12   0.02   0.02) =   0.736%  kept
          HB3   GLN   90 - HN    CYS   21  22.98 +/- 6.08   1.049% *  1.9934% (0.18   0.02   0.02) =   0.509%  kept
          HG2   ARG+  54 - HN    ILE  119  16.90 +/- 1.81   1.500% *  1.2268% (0.11   0.02   0.02) =   0.448%  kept
          QB    LYS+ 102 - HN    ILE  119  17.05 +/- 3.40   1.813% *  0.6299% (0.06   0.02   0.02) =   0.278%  kept
          QB    LYS+  33 - HN    ILE  119  19.30 +/- 3.82   1.122% *  0.8007% (0.07   0.02   0.02) =   0.218%  kept
          HB3   GLN   90 - HN    ILE  119  24.02 +/- 1.48   0.501% *  0.6299% (0.06   0.02   0.02) =   0.077%
    Distance limit 3.68 A violated in 17 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.6, support = 5.51, residual support = 119.2:
          QB    ALA   20 - HN    CYS   21   3.44 +/- 0.30  38.968% * 54.2836% (0.80   3.95  17.27) =  59.330%  kept
          HG13  ILE  119 - HN    ILE  119   3.64 +/- 0.60  34.380% * 41.8255% (0.31   7.86 270.09) =  40.331%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.10 +/- 0.70   4.971% *  1.5433% (0.13   0.69   6.81) =   0.215%  kept
          QG1   VAL   24 - HN    ILE  119  18.64 +/- 5.45   2.856% *  0.9538% (0.10   0.57   0.02) =   0.076%
          QG1   VAL   24 - HN    CYS   21   7.95 +/- 1.23   4.071% *  0.1060% (0.31   0.02   0.02) =   0.012%
          HG13  ILE  119 - HN    CYS   21  17.26 +/- 4.35   1.147% *  0.3368% (0.98   0.02   0.02) =   0.011%
          HB3   LEU   31 - HN    CYS   21  13.03 +/- 1.40   0.795% *  0.3316% (0.97   0.02   0.02) =   0.007%
          QG2   VAL  107 - HN    ILE  119   6.80 +/- 1.77   7.718% *  0.0242% (0.07   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - HN    CYS   21  20.05 +/- 5.68   0.783% *  0.1412% (0.41   0.02   0.02) =   0.003%
          QG2   VAL  107 - HN    CYS   21  15.98 +/- 2.96   1.122% *  0.0765% (0.22   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    ILE  119  10.63 +/- 1.55   1.642% *  0.0446% (0.13   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  16.30 +/- 4.05   0.797% *  0.0869% (0.25   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    ILE  119  18.97 +/- 4.50   0.433% *  0.1048% (0.30   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  22.00 +/- 6.05   0.317% *  0.1412% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 0.502, support = 2.0, residual support = 5.99:
          QD2   LEU   73 - HN    CYS   21   7.57 +/- 4.98  23.257% * 68.5124% (0.57   2.28   7.77) =  74.293%  kept
          QD1   ILE   19 - HN    CYS   21   5.36 +/- 1.23  24.000% * 17.6784% (0.22   1.50   1.12) =  19.782%  kept
          QG2   VAL   18 - HN    CYS   21   6.81 +/- 1.22  12.956% *  8.5701% (0.65   0.25   0.02) =   5.177%  kept
          QG1   VAL   43 - HN    CYS   21  11.25 +/- 4.00   5.322% *  0.9201% (0.87   0.02   0.02) =   0.228%  kept
          QG1   VAL   41 - HN    CYS   21  12.51 +/- 2.50   2.939% *  1.0397% (0.98   0.02   0.02) =   0.142%  kept
          HG    LEU   31 - HN    CYS   21  11.14 +/- 1.49   2.407% *  0.7702% (0.73   0.02   0.02) =   0.086%
          QG2   THR   46 - HN    CYS   21  12.85 +/- 4.81   2.916% *  0.5581% (0.53   0.02   0.02) =   0.076%
          QD2   LEU   73 - HN    ILE  119  12.50 +/- 3.71   5.981% *  0.1898% (0.18   0.02   0.02) =   0.053%
          QD1   ILE   56 - HN    ILE  119   7.41 +/- 1.13   8.591% *  0.1034% (0.10   0.02   0.02) =   0.041%
          QG1   VAL   43 - HN    ILE  119  12.70 +/- 2.39   2.011% *  0.2907% (0.27   0.02   0.02) =   0.027%
          QG1   VAL   41 - HN    ILE  119  13.97 +/- 3.14   1.544% *  0.3285% (0.31   0.02   0.02) =   0.024%
          QG2   VAL   18 - HN    ILE  119  14.10 +/- 3.23   2.047% *  0.2168% (0.20   0.02   0.02) =   0.021%
          QD1   ILE   56 - HN    CYS   21  16.04 +/- 3.16   1.113% *  0.3274% (0.31   0.02   0.02) =   0.017%
          QG2   THR   46 - HN    ILE  119  12.86 +/- 1.93   1.657% *  0.1763% (0.17   0.02   0.02) =   0.014%
          HG    LEU   31 - HN    ILE  119  18.93 +/- 4.61   0.915% *  0.2434% (0.23   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    ILE  119  15.35 +/- 3.65   2.344% *  0.0746% (0.07   0.02   0.02) =   0.008%
    Distance limit 4.55 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 = 0.507, support = 4.46, residual support = 6.76:
          QD1   LEU   73 - HN    CYS   21   7.02 +/- 5.53  23.980% * 54.6420% (0.53   5.02   7.77) =  73.423%  kept
          QD2   LEU  115 - HN    ILE  119   4.32 +/- 1.03  28.709% *  7.4266% (0.07   5.10   7.75) =  11.947%  kept
          QD2   LEU   63 - HN    CYS   21  11.98 +/- 4.07   7.302% * 23.8806% (1.00   1.16   1.00) =   9.771%  kept
          QD1   LEU   63 - HN    ILE  119   6.68 +/- 1.97   9.668% *  4.8673% (0.17   1.41   0.62) =   2.637%  kept
          QD1   LEU   63 - HN    CYS   21  12.16 +/- 3.97   4.557% *  7.9426% (0.53   0.73   1.00) =   2.028%  kept
          QD1   LEU   80 - HN    CYS   21  14.39 +/- 8.47   5.449% *  0.1857% (0.45   0.02   0.02) =   0.057%
          QD2   LEU   63 - HN    ILE  119   7.53 +/- 1.96   7.138% *  0.1306% (0.32   0.02   0.62) =   0.052%
          QG2   VAL   41 - HN    CYS   21  11.96 +/- 3.40   2.142% *  0.2679% (0.65   0.02   0.02) =   0.032%
          QD2   LEU   80 - HN    CYS   21  13.22 +/- 8.21   3.685% *  0.0820% (0.20   0.02   0.02) =   0.017%
          QD1   LEU   73 - HN    ILE  119  13.65 +/- 4.15   3.091% *  0.0689% (0.17   0.02   0.02) =   0.012%
          QD2   LEU   98 - HN    CYS   21  13.98 +/- 2.62   0.872% *  0.1857% (0.45   0.02   0.02) =   0.009%
          QG2   VAL   41 - HN    ILE  119  13.72 +/- 2.89   1.051% *  0.0847% (0.20   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    CYS   21  15.43 +/- 3.50   0.878% *  0.0922% (0.22   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ILE  119  13.96 +/- 2.94   0.896% *  0.0587% (0.14   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ILE  119  19.94 +/- 3.68   0.280% *  0.0587% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  19.55 +/- 3.22   0.300% *  0.0259% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.312, support = 5.42, residual support = 59.9:
          HN    THR  118 - HN    ILE  119   2.53 +/- 0.17  78.334% * 46.2739% (0.28   5.80  66.63) =  87.037%  kept
          HN    GLN  116 - HN    ILE  119   4.85 +/- 0.43  11.622% * 44.6509% (0.53   2.96  15.63) =  12.460%  kept
          HN    GLU- 114 - HN    ILE  119   8.24 +/- 0.64   2.397% *  7.3755% (0.95   0.27   0.02) =   0.424%  kept
          HN    PHE   60 - HN    ILE  119   8.25 +/- 0.98   2.838% *  0.6433% (0.14   0.17   0.02) =   0.044%
          HN    LEU   71 - HN    ILE  119  13.90 +/- 4.18   2.186% *  0.5429% (0.95   0.02   0.02) =   0.028%
          HN    LEU   71 - HN    CYS   21  13.97 +/- 2.85   0.592% *  0.1716% (0.30   0.02   0.02) =   0.002%
          HN    GLU- 114 - HN    CYS   21  22.37 +/- 4.95   0.290% *  0.1716% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - HN    CYS   21  20.29 +/- 4.96   0.431% *  0.0954% (0.17   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  19.26 +/- 5.09   0.710% *  0.0504% (0.09   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  16.08 +/- 4.54   0.600% *  0.0245% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.629, support = 2.65, residual support = 19.5:
          HN    HIS  122 - HN    ILE  119   5.25 +/- 0.13  20.770% * 74.6616% (1.00   2.36  15.36) =  52.174%  kept
          QE    PHE   59 - HN    ILE  119   3.32 +/- 0.73  66.332% * 21.1749% (0.22   3.00  24.05) =  47.257%  kept
          HN    PHE   59 - HN    ILE  119   7.99 +/- 0.61   5.267% *  2.9730% (0.57   0.17  24.05) =   0.527%  kept
          HN    HIS  122 - HN    CYS   21  18.33 +/- 5.32   2.885% *  0.1999% (0.32   0.02   0.02) =   0.019%
          HH2   TRP   87 - HN    ILE  119  22.11 +/- 4.98   0.474% *  0.6327% (1.00   0.02   0.02) =   0.010%
          HN    PHE   59 - HN    CYS   21  17.74 +/- 4.66   1.216% *  0.1134% (0.18   0.02   0.02) =   0.005%
          HH2   TRP   87 - HN    CYS   21  21.79 +/- 5.66   0.567% *  0.1999% (0.32   0.02   0.02) =   0.004%
          QE    PHE   59 - HN    CYS   21  14.90 +/- 3.44   2.489% *  0.0446% (0.07   0.02   0.02) =   0.004%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.5, residual support = 17.3:
          HN    ALA   20 - HN    CYS   21   4.23 +/- 0.17  95.422% * 99.8198% (0.95   3.50  17.27) =  99.991%  kept
          HN    ALA   20 - HN    ILE  119  18.98 +/- 4.78   4.578% *  0.1802% (0.30   0.02   0.02) =   0.009%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 5.79, residual support = 52.9:
        T HN    ALA  120 - HN    ILE  119   2.70 +/- 0.15  76.972% * 94.3673% (1.00 10.00   5.83  53.32) =  98.967%  kept
          HE21  GLN  116 - HN    ILE  119   5.92 +/- 1.45  14.638% *  5.1431% (0.80  1.00   1.36  15.63) =   1.026%  kept
        T HN    ALA  120 - HN    CYS   21  19.47 +/- 5.74   1.039% *  0.2982% (0.32 10.00   0.02   0.02) =   0.004%
          HN    ALA   57 - HN    ILE  119  10.84 +/- 1.23   1.407% *  0.0685% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HN    ILE  119  10.71 +/- 0.42   1.258% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  21.36 +/- 6.62   0.764% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  19.88 +/- 5.41   0.895% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  21.42 +/- 6.39   1.468% *  0.0074% (0.08  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  18.80 +/- 4.76   0.387% *  0.0217% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.98 +/- 1.83   0.896% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  25.98 +/- 1.85   0.099% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  24.49 +/- 6.58   0.178% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.53, residual support = 66.6:
          HB    THR  118 - HN    ILE  119   3.14 +/- 0.25  88.230% * 98.1288% (0.98   5.53  66.63) =  99.982%  kept
          HB    THR  118 - HN    CYS   21  17.98 +/- 4.67   3.659% *  0.1120% (0.31   0.02   0.02) =   0.005%
          QB    SER   13 - HN    CYS   21  13.52 +/- 3.31   3.049% *  0.0830% (0.23   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ILE  119  21.69 +/- 4.76   0.754% *  0.2627% (0.73   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    ILE  119  21.04 +/- 3.90   0.465% *  0.3244% (0.90   0.02   0.02) =   0.002%
          HB    THR   39 - HN    ILE  119  19.36 +/- 3.89   0.544% *  0.2765% (0.76   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    ILE  119  22.01 +/- 2.35   0.307% *  0.3244% (0.90   0.02   0.02) =   0.001%
          HB    THR   39 - HN    CYS   21  16.63 +/- 3.12   0.872% *  0.0874% (0.24   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    CYS   21  17.28 +/- 2.58   0.621% *  0.1025% (0.28   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  21.99 +/- 4.98   0.435% *  0.1025% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  20.06 +/- 8.85   0.851% *  0.0470% (0.13   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  25.72 +/- 4.03   0.212% *  0.1487% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.896, support = 8.55, residual support = 269.9:
          HG12  ILE  119 - HN    ILE  119   2.76 +/- 0.57  75.576% * 96.7578% (0.90   8.56 270.09) =  99.927%  kept
          HB3   PHE   72 - HN    ILE  119  12.65 +/- 3.73   2.609% *  1.4263% (0.97   0.12   0.24) =   0.051%
          HB2   ASP-  44 - HN    ILE  119  12.45 +/- 2.18   1.446% *  0.2261% (0.90   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    CYS   21  11.66 +/- 4.46   2.388% *  0.0769% (0.30   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    ILE  119   9.75 +/- 3.38   5.126% *  0.0341% (0.14   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    CYS   21  13.17 +/- 5.08   2.190% *  0.0715% (0.28   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    CYS   21  12.79 +/- 2.52   1.578% *  0.0735% (0.29   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    CYS   21  10.28 +/- 1.65   2.378% *  0.0419% (0.17   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  12.69 +/- 1.94   1.311% *  0.0638% (0.25   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  19.03 +/- 1.95   0.316% *  0.2019% (0.80   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ILE  119  20.79 +/- 3.32   0.258% *  0.2328% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    CYS   21  17.15 +/- 4.46   0.804% *  0.0715% (0.28   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  22.04 +/- 1.36   0.205% *  0.2499% (0.99   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   21  20.51 +/- 5.83   0.636% *  0.0790% (0.31   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  17.46 +/- 1.59   0.458% *  0.1037% (0.41   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ILE  119  24.08 +/- 6.26   0.434% *  0.0860% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    CYS   21  16.45 +/- 4.26   1.162% *  0.0272% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  22.40 +/- 4.90   0.235% *  0.1327% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  20.47 +/- 4.37   0.409% *  0.0328% (0.13   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.10 +/- 3.70   0.479% *  0.0108% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.57, residual support = 270.1:
      O   HB    ILE  119 - HN    ILE  119   2.23 +/- 0.19  84.288% * 99.0354% (0.92  10.0   7.57 270.09) =  99.994%  kept
          HG3   GLN   30 - HN    CYS   21   8.08 +/- 2.27   4.050% *  0.0336% (0.31   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    CYS   21   8.77 +/- 1.85   2.036% *  0.0313% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE  119  11.03 +/- 1.40   0.794% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  19.51 +/- 4.38   0.327% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  18.43 +/- 3.96   0.335% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  13.77 +/- 1.97   0.403% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  15.68 +/- 3.42   0.350% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  18.59 +/- 5.34   0.815% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.18 +/- 4.12   0.613% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.87 +/- 1.58   0.254% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.31 +/- 1.74   0.452% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  24.74 +/- 6.08   0.644% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.09 +/- 3.62   0.117% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.23 +/- 3.91   0.299% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.61 +/- 1.28   1.518% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  11.10 +/- 0.48   0.740% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.51 +/- 1.48   0.614% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  19.16 +/- 2.47   0.168% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  17.27 +/- 4.81   0.478% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.47 +/- 3.25   0.203% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.07 +/- 3.01   0.150% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.56 +/- 4.62   0.247% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  22.84 +/- 4.22   0.105% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.898, support = 7.35, residual support = 240.1:
          HG13  ILE  119 - HN    ILE  119   3.64 +/- 0.60  32.467% * 82.8034% (0.99   7.86 270.09) =  88.274%  kept
          QB    ALA   20 - HN    CYS   21   3.44 +/- 0.30  36.125% *  8.0381% (0.19   3.95  17.27) =   9.535%  kept
          QG1   VAL  107 - HN    ILE  119   6.15 +/- 2.27  13.489% *  3.6739% (0.20   1.75   0.02) =   1.627%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.10 +/- 0.70   4.601% *  1.8327% (0.25   0.69   6.81) =   0.277%  kept
          QG1   VAL   24 - HN    ILE  119  18.64 +/- 5.45   2.740% *  2.9449% (0.49   0.57   0.02) =   0.265%  kept
          HD3   LYS+ 112 - HN    ILE  119  10.63 +/- 1.55   1.528% *  0.1289% (0.61   0.02   0.02) =   0.006%
          QG1   VAL   24 - HN    CYS   21   7.95 +/- 1.23   3.807% *  0.0327% (0.15   0.02   0.02) =   0.004%
          QB    ALA   20 - HN    ILE  119  16.30 +/- 4.05   0.761% *  0.1289% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   31 - HN    ILE  119  18.97 +/- 4.50   0.407% *  0.2121% (1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HN    CYS   21  17.26 +/- 4.35   1.089% *  0.0666% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    CYS   21  13.03 +/- 1.40   0.731% *  0.0670% (0.32   0.02   0.02) =   0.002%
          QG1   VAL  107 - HN    CYS   21  15.66 +/- 2.89   1.205% *  0.0133% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    CYS   21  20.05 +/- 5.68   0.750% *  0.0167% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.00 +/- 6.05   0.301% *  0.0407% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.257, support = 1.33, residual support = 6.62:
          HG3   LYS+  74 - HN    CYS   21   9.54 +/- 7.15  21.925% * 43.1277% (0.23   1.44   9.01) =  70.350%  kept
          HB    VAL   75 - HN    CYS   21  11.46 +/- 6.09   7.574% * 42.1818% (0.24   1.33   1.15) =  23.770%  kept
          QD2   LEU   40 - HN    ILE  119  11.28 +/- 3.38   7.556% *  2.4780% (0.95   0.02   0.02) =   1.393%  kept
          QG2   ILE  103 - HN    ILE  119  11.94 +/- 2.91   5.792% *  2.1881% (0.84   0.02   0.02) =   0.943%  kept
          QD1   LEU   67 - HN    ILE  119  11.56 +/- 2.07   4.244% *  2.4182% (0.92   0.02   0.02) =   0.764%  kept
          QD2   LEU   71 - HN    ILE  119  12.26 +/- 4.70  14.037% *  0.6532% (0.25   0.02   0.02) =   0.682%  kept
          HG3   LYS+  74 - HN    ILE  119  16.56 +/- 3.45   3.059% *  1.9022% (0.73   0.02   0.02) =   0.433%  kept
          QD1   LEU   67 - HN    CYS   21  12.02 +/- 4.09   7.296% *  0.7641% (0.29   0.02   0.02) =   0.415%  kept
          QD2   LEU   40 - HN    CYS   21  12.64 +/- 2.44   6.165% *  0.7830% (0.30   0.02   0.02) =   0.359%  kept
          HB    VAL   75 - HN    ILE  119  14.83 +/- 1.45   2.163% *  2.0020% (0.76   0.02   0.02) =   0.322%  kept
          QD1   ILE  103 - HN    ILE  119  13.23 +/- 3.86   6.969% *  0.4588% (0.18   0.02   0.02) =   0.238%  kept
          QG2   ILE  103 - HN    CYS   21  15.57 +/- 2.45   3.939% *  0.6914% (0.26   0.02   0.02) =   0.203%  kept
          QD2   LEU   71 - HN    CYS   21  11.45 +/- 3.33   6.406% *  0.2064% (0.08   0.02   0.02) =   0.098%
          QD1   ILE  103 - HN    CYS   21  15.60 +/- 2.18   2.872% *  0.1450% (0.06   0.02   0.02) =   0.031%
    Distance limit 3.62 A violated in 9 structures by 1.82 A, kept.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.97, residual support = 66.6:
          QG2   THR  118 - HN    ILE  119   3.37 +/- 0.46  94.886% * 99.9094% (0.57   6.97  66.63) =  99.995%  kept
          QG2   THR  118 - HN    CYS   21  14.20 +/- 3.70   5.114% *  0.0906% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.41 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 = 0.783, support = 3.66, residual support = 43.0:
          QB    ALA  120 - HN    ILE  119   4.23 +/- 0.12  29.604% * 60.3272% (0.80   4.37  53.32) =  77.458%  kept
          HG    LEU  115 - HN    ILE  119   5.79 +/- 1.13  14.295% * 14.8408% (0.80   1.08   7.75) =   9.201%  kept
          HB3   LEU  115 - HN    ILE  119   6.09 +/- 0.85  11.225% * 17.9242% (0.95   1.10   7.75) =   8.726%  kept
          HG    LEU   73 - HN    CYS   21   8.38 +/- 6.54  21.344% *  4.8337% (0.15   1.82   7.77) =   4.475%  kept
          HG    LEU   40 - HN    ILE  119  13.46 +/- 3.80   1.980% *  0.3259% (0.95   0.02   0.02) =   0.028%
          HG    LEU   67 - HN    ILE  119  14.14 +/- 2.49   1.263% *  0.3414% (0.99   0.02   0.02) =   0.019%
          HB3   LEU   40 - HN    ILE  119  14.36 +/- 4.43   2.190% *  0.1950% (0.57   0.02   0.02) =   0.019%
          HG    LEU   73 - HN    ILE  119  15.66 +/- 4.98   2.229% *  0.1677% (0.49   0.02   0.02) =   0.016%
          QB    ALA  120 - HN    CYS   21  17.49 +/- 5.34   3.371% *  0.0872% (0.25   0.02   0.02) =   0.013%
          HB3   LEU  115 - HN    CYS   21  18.50 +/- 4.24   2.784% *  0.1030% (0.30   0.02   0.02) =   0.012%
          QG    LYS+  66 - HN    ILE  119  12.04 +/- 2.77   1.765% *  0.1063% (0.31   0.02   0.02) =   0.008%
          HG    LEU   40 - HN    CYS   21  14.71 +/- 2.70   1.070% *  0.1030% (0.30   0.02   0.02) =   0.005%
          HG    LEU  115 - HN    CYS   21  18.63 +/- 4.14   1.178% *  0.0872% (0.25   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    CYS   21  15.62 +/- 4.53   0.846% *  0.1079% (0.31   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  20.64 +/- 3.65   0.314% *  0.2089% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ILE  119  13.55 +/- 2.66   1.049% *  0.0603% (0.18   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    CYS   21  14.76 +/- 2.44   0.991% *  0.0616% (0.18   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    CYS   21  21.87 +/- 4.18   0.906% *  0.0660% (0.19   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    CYS   21  16.63 +/- 4.00   0.745% *  0.0336% (0.10   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  15.24 +/- 4.91   0.851% *  0.0191% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.04 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 = 0.993, support = 1.02, residual support = 1.14:
          QG2   VAL   75 - HN    CYS   21   9.49 +/- 5.62  41.016% * 97.0578% (1.00   1.03   1.15) =  98.662%  kept
          QG2   VAL   42 - HN    CYS   21  11.45 +/- 2.24  16.776% *  1.7839% (0.95   0.02   0.02) =   0.742%  kept
          QG2   VAL   42 - HN    ILE  119   9.43 +/- 3.03  33.645% *  0.5637% (0.30   0.02   0.02) =   0.470%  kept
          QG2   VAL   75 - HN    ILE  119  13.37 +/- 1.59   8.564% *  0.5946% (0.32   0.02   0.02) =   0.126%  kept
    Distance limit 4.54 A violated in 12 structures by 2.02 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.19 +/- 0.15  94.093% * 99.6430% (0.84  10.0   3.73  15.21) =  99.994%  kept
          HG2   LYS+ 121 - HN    ALA   20  19.96 +/- 6.00   4.190% *  0.1190% (1.00   1.0   0.02   0.02) =   0.005%
          QG2   VAL  107 - HN    ALA   20  17.30 +/- 2.66   0.442% *  0.1070% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ALA   20  12.54 +/- 1.47   0.643% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  17.58 +/- 3.83   0.468% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.44 +/- 2.51   0.164% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 25.6:
          QG2   ILE   19 - HN    ALA   20   3.06 +/- 0.74  98.370% * 99.7528% (0.99   3.65  25.63) =  99.996%  kept
          QD1   LEU   98 - HN    ALA   20  15.50 +/- 2.31   1.630% *  0.2472% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 5.99, residual support = 172.0:
      O   HB    ILE   19 - HN    ILE   19   2.98 +/- 0.59  73.042% * 94.6464% (0.97  10.0   6.03 173.62) =  99.092%  kept
          HB2   GLN   17 - HN    ILE   19   6.14 +/- 0.59  12.829% *  4.8581% (0.73   1.0   1.36   0.02) =   0.893%  kept
          QB    GLU-  15 - HN    ILE   19   8.22 +/- 1.10   6.102% *  0.0712% (0.73   1.0   0.02   0.02) =   0.006%
          HB3   GLU-  25 - HN    ILE   19  13.19 +/- 2.41   3.766% *  0.0880% (0.90   1.0   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    ILE   19  15.32 +/- 4.60   1.315% *  0.0905% (0.92   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    ILE   19  19.77 +/- 3.18   0.463% *  0.0972% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ILE   19  15.47 +/- 5.23   1.180% *  0.0335% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    ILE   19  19.00 +/- 3.72   0.722% *  0.0245% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  23.96 +/- 3.97   0.253% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  20.04 +/- 4.06   0.328% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.727, support = 5.89, residual support = 154.8:
          HG12  ILE   19 - HN    ILE   19   3.35 +/- 0.70  53.138% * 66.5463% (0.73   6.35 173.62) =  88.832%  kept
          HG    LEU   73 - HN    ILE   19   9.66 +/- 7.25  14.332% * 27.6860% (0.80   2.39   4.66) =   9.968%  kept
          HB3   LYS+  74 - HN    ILE   19  10.19 +/- 7.44  11.414% *  3.8672% (0.18   1.53   7.89) =   1.109%  kept
          HB3   LEU   67 - HN    ILE   19  12.71 +/- 7.37   3.515% *  0.2888% (1.00   0.02   0.02) =   0.026%
          QB    ALA   61 - HN    ILE   19  13.32 +/- 4.78   2.325% *  0.2787% (0.97   0.02   0.02) =   0.016%
          QG    LYS+  66 - HN    ILE   19  14.46 +/- 5.36   2.192% *  0.2732% (0.95   0.02   0.02) =   0.015%
          HG    LEU   80 - HN    ILE   19  19.51 +/-10.32   1.466% *  0.2412% (0.84   0.02   0.02) =   0.009%
          HG    LEU   40 - HN    ILE   19  12.06 +/- 4.12   3.536% *  0.0891% (0.31   0.02   0.02) =   0.008%
          HG    LEU   67 - HN    ILE   19  12.84 +/- 7.18   3.842% *  0.0643% (0.22   0.02   0.02) =   0.006%
          HB2   LEU   80 - HN    ILE   19  19.23 +/- 9.57   1.523% *  0.0891% (0.31   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    ILE   19  18.87 +/- 3.15   0.468% *  0.2313% (0.80   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ILE   19  17.79 +/- 5.02   1.244% *  0.0572% (0.20   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    ILE   19  18.34 +/- 3.68   0.721% *  0.0891% (0.31   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE   19  21.08 +/- 3.26   0.283% *  0.1984% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 171.2:
          HG13  ILE   19 - HN    ILE   19   2.63 +/- 0.82  74.665% * 84.6844% (0.97   6.04 173.62) =  98.545%  kept
          HG2   LYS+  74 - HN    ILE   19  11.28 +/- 7.43   7.357% *  8.9640% (0.99   0.62   7.89) =   1.028%  kept
          HG    LEU   71 - HN    ILE   19  11.49 +/- 6.07   4.913% *  5.2319% (0.98   0.37   0.13) =   0.401%  kept
          QG2   THR   39 - HN    ILE   19  11.74 +/- 4.54   5.324% *  0.1997% (0.69   0.02   0.02) =   0.017%
          QB    ALA   34 - HN    ILE   19   9.31 +/- 2.06   4.941% *  0.0393% (0.14   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    ILE   19  16.89 +/- 2.47   0.642% *  0.2901% (1.00   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    ILE   19  19.02 +/- 5.82   0.468% *  0.1997% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   19  17.50 +/- 2.74   0.557% *  0.1195% (0.41   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    ILE   19  16.36 +/- 3.74   0.592% *  0.0725% (0.25   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  23.74 +/- 6.92   0.385% *  0.1091% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  24.48 +/- 4.24   0.156% *  0.0897% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.345, support = 4.81, residual support = 22.2:
          QG1   VAL   18 - HN    ILE   19   2.84 +/- 0.37  82.278% * 76.9462% (0.34   4.89  22.56) =  98.215%  kept
          QD1   LEU   71 - HN    ILE   19  10.16 +/- 4.74   7.119% *  9.6517% (0.69   0.30   0.13) =   1.066%  kept
          QG1   VAL   70 - HN    ILE   19  10.84 +/- 3.70   3.749% * 11.5943% (0.45   0.56   0.02) =   0.674%  kept
          QD2   LEU  123 - HN    ILE   19  14.63 +/- 5.04   4.617% *  0.2846% (0.31   0.02   0.02) =   0.020%
          QD1   LEU  123 - HN    ILE   19  14.20 +/- 3.90   1.754% *  0.6334% (0.69   0.02   0.02) =   0.017%
          HB3   LEU  104 - HN    ILE   19  18.14 +/- 2.52   0.483% *  0.8899% (0.97   0.02   0.02) =   0.007%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.754, support = 4.99, residual support = 93.7:
          QG2   VAL   18 - HN    ILE   19   3.78 +/- 0.52  28.728% * 57.0456% (0.97   4.82  22.56) =  49.644%  kept
          QD1   ILE   19 - HN    ILE   19   3.10 +/- 0.88  41.988% * 37.2957% (0.57   5.37 173.62) =  47.439%  kept
          QD2   LEU   73 - HN    ILE   19   7.57 +/- 6.17  19.688% *  4.7911% (0.22   1.75   4.66) =   2.857%  kept
          QG1   VAL   43 - HN    ILE   19  11.68 +/- 5.51   3.405% *  0.2431% (0.99   0.02   0.02) =   0.025%
          QG1   VAL   41 - HN    ILE   19  11.35 +/- 3.91   3.586% *  0.2200% (0.90   0.02   0.02) =   0.024%
          QG2   THR   46 - HN    ILE   19  14.24 +/- 5.37   0.875% *  0.2200% (0.90   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    ILE   19  10.71 +/- 2.07   1.196% *  0.0837% (0.34   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ILE   19  14.74 +/- 1.97   0.534% *  0.1008% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.64 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 = 0.717, support = 4.5, residual support = 23.1:
          HG12  ILE   19 - HN    ALA   20   4.96 +/- 0.63  31.247% * 82.3048% (0.73   4.95  25.63) =  89.642%  kept
          HG    LEU   73 - HN    ALA   20   9.56 +/- 6.32  19.609% * 11.2076% (0.80   0.61   0.02) =   7.660%  kept
          HB3   LYS+  74 - HN    ALA   20   9.40 +/- 6.70  20.495% *  3.4729% (0.18   0.87   5.35) =   2.481%  kept
          QB    ALA   61 - HN    ALA   20  14.02 +/- 4.29   2.786% *  0.4421% (0.97   0.02   0.02) =   0.043%
          HB3   LEU   67 - HN    ALA   20  14.82 +/- 5.31   2.223% *  0.4581% (1.00   0.02   0.02) =   0.035%
          HD3   LYS+ 121 - HN    ALA   20  19.69 +/- 6.21   9.821% *  0.0907% (0.20   0.02   0.02) =   0.031%
          HG    LEU   80 - HN    ALA   20  19.07 +/- 8.97   2.144% *  0.3827% (0.84   0.02   0.02) =   0.029%
          QG    LYS+  66 - HN    ALA   20  15.94 +/- 4.38   1.519% *  0.4334% (0.95   0.02   0.02) =   0.023%
          HB3   LEU  115 - HN    ALA   20  19.75 +/- 4.00   2.499% *  0.1414% (0.31   0.02   0.02) =   0.012%
          HG    LEU   40 - HN    ALA   20  14.29 +/- 2.53   2.076% *  0.1414% (0.31   0.02   0.02) =   0.010%
          HG    LEU   67 - HN    ALA   20  14.82 +/- 5.23   2.709% *  0.1020% (0.22   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    ALA   20  19.68 +/- 2.87   0.721% *  0.3668% (0.80   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    ALA   20  18.85 +/- 8.22   1.604% *  0.1414% (0.31   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    ALA   20  22.70 +/- 3.82   0.547% *  0.3147% (0.69   0.02   0.02) =   0.006%
    Distance limit 4.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.629, support = 2.4, residual support = 5.43:
          HG12  ILE   19 - HN    CYS   21   6.42 +/- 1.42  17.118% * 41.0274% (0.73   2.34   1.12) =  38.724%  kept
          HG    LEU   73 - HN    CYS   21   8.38 +/- 6.54  19.865% * 35.3136% (0.80   1.82   7.77) =  38.681%  kept
          HB3   LYS+  74 - HN    CYS   21   7.88 +/- 7.28  24.144% * 15.6515% (0.18   3.70   9.01) =  20.836%  kept
          HB3   LEU  115 - HN    ILE  119   6.09 +/- 0.85   8.339% *  2.5933% (0.10   1.10   7.75) =   1.192%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.30 +/- 0.96   5.567% *  1.0453% (0.06   0.69   6.81) =   0.321%  kept
          QB    ALA   61 - HN    CYS   21  13.40 +/- 4.29   1.189% *  0.4665% (0.97   0.02   0.02) =   0.031%
          HG    LEU   80 - HN    CYS   21  16.68 +/- 9.61   1.237% *  0.4038% (0.84   0.02   0.02) =   0.028%
          HB3   LEU  115 - HN    CYS   21  18.50 +/- 4.24   3.002% *  0.1492% (0.31   0.02   0.02) =   0.025%
          HB3   LEU   67 - HN    CYS   21  15.24 +/- 4.91   0.640% *  0.4834% (1.00   0.02   0.02) =   0.017%
          QB    ALA   61 - HN    ILE  119  10.10 +/- 1.08   1.960% *  0.1474% (0.30   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - HN    CYS   21  21.87 +/- 4.18   0.853% *  0.3321% (0.69   0.02   0.02) =   0.016%
          HG    LEU   73 - HN    ILE  119  15.66 +/- 4.98   2.095% *  0.1223% (0.25   0.02   0.02) =   0.014%
          QG    LYS+  66 - HN    CYS   21  16.63 +/- 4.00   0.560% *  0.4573% (0.95   0.02   0.02) =   0.014%
          QB    ALA  110 - HN    CYS   21  18.05 +/- 3.15   0.628% *  0.3871% (0.80   0.02   0.02) =   0.013%
          QB    ALA  110 - HN    ILE  119  10.81 +/- 1.16   1.611% *  0.1223% (0.25   0.02   0.02) =   0.011%
          HB2   LEU   80 - HN    CYS   21  16.39 +/- 8.91   1.152% *  0.1492% (0.31   0.02   0.02) =   0.009%
          HG    LEU   40 - HN    CYS   21  14.71 +/- 2.70   1.005% *  0.1492% (0.31   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HN    CYS   21  19.77 +/- 5.62   1.534% *  0.0957% (0.20   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    ILE  119  12.04 +/- 2.77   0.912% *  0.1445% (0.30   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ILE  119  18.39 +/- 4.54   1.111% *  0.1109% (0.23   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    ILE  119  13.55 +/- 2.66   0.770% *  0.1528% (0.32   0.02   0.02) =   0.006%
          HG    LEU   40 - HN    ILE  119  13.46 +/- 3.80   1.744% *  0.0471% (0.10   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    CYS   21  15.62 +/- 4.53   0.692% *  0.1076% (0.22   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    ILE  119  16.32 +/- 3.67   0.972% *  0.0268% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE  119  20.64 +/- 3.65   0.246% *  0.1049% (0.22   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  14.14 +/- 2.49   0.723% *  0.0340% (0.07   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE  119  23.16 +/- 4.64   0.173% *  0.1276% (0.26   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  119  22.76 +/- 3.59   0.160% *  0.0471% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.16, residual support = 85.4:
      O   QG    GLN   17 - HE21  GLN   17   2.37 +/- 0.40  80.809% * 99.5957% (0.48  10.0   3.16  85.40) =  99.988%  kept
          HG3   GLU-  29 - HE21  GLN   17  16.25 +/- 5.13  15.558% *  0.0403% (0.20   1.0   0.02   0.02) =   0.008%
          HB    VAL   70 - HE21  GLN   17  14.73 +/- 6.28   1.377% *  0.0879% (0.43   1.0   0.02   0.02) =   0.002%
          HB2   GLU-  25 - HE21  GLN   17  17.43 +/- 4.77   0.996% *  0.1161% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  18.31 +/- 4.89   0.776% *  0.1053% (0.51   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HE21  GLN   17  20.62 +/- 5.52   0.430% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  31.04 +/- 6.67   0.054% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.54, residual support = 50.5:
        T HN    VAL   18 - HN    GLN   17   4.44 +/- 0.07  86.669% * 99.9055% (0.73 10.00   5.54  50.48) =  99.985%  kept
          HN    SER   13 - HN    GLN   17   9.67 +/- 1.51  13.331% *  0.0945% (0.69  1.00   0.02   0.02) =   0.015%
    Distance limit 4.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.54, residual support = 50.5:
        T HN    GLN   17 - HN    VAL   18   4.44 +/- 0.07  94.135% * 99.7850% (0.89 10.00   5.54  50.48) =  99.993%  kept
          HD21  ASN   69 - HN    VAL   18  15.02 +/- 6.07   5.042% *  0.1079% (0.96  1.00   0.02   0.02) =   0.006%
          HN    TRP   87 - HN    VAL   18  26.50 +/- 7.56   0.823% *  0.1071% (0.96  1.00   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.413, support = 3.34, residual support = 7.86:
        T HN    LYS+  74 - HN    ILE   19   9.26 +/- 8.10  53.671% * 96.0901% (0.41 10.00   3.35   7.89) =  99.552%  kept
          HN    THR   46 - HN    ILE   19  17.67 +/- 6.77   5.830% *  3.6020% (0.84  1.00   0.37   0.02) =   0.405%  kept
          HN    MET   11 - HN    ILE   19  17.14 +/- 3.98  28.076% *  0.0361% (0.15  1.00   0.02   0.02) =   0.020%
          HN    MET   92 - HN    ILE   19  21.73 +/- 6.42   3.369% *  0.2256% (0.97  1.00   0.02   0.02) =   0.015%
          HN    ASP- 113 - HN    ILE   19  23.08 +/- 3.94   9.055% *  0.0463% (0.20  1.00   0.02   0.02) =   0.008%
    Distance limit 4.69 A violated in 7 structures by 4.59 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.855, support = 2.84, residual support = 2.79:
          HN    THR   26 - HN    VAL   24   4.27 +/- 0.17  73.957% * 94.0228% (0.87   2.88   2.77) =  98.137%  kept
          HN    LEU   80 - HN    VAL   24  15.32 +/- 8.53  23.546% *  5.5924% (0.20   0.75   3.77) =   1.858%  kept
          HN    ALA   34 - HN    VAL   24  14.53 +/- 0.55   1.929% *  0.1020% (0.14   0.02   0.02) =   0.003%
          HN    CYS   53 - HN    VAL   24  23.38 +/- 4.03   0.568% *  0.2828% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 4.32, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   3.93 +/- 0.41  75.296% * 89.1476% (0.98   4.37  25.75) =  98.539%  kept
          HD2   HIS   22 - HN    VAL   24   8.10 +/- 1.11  11.007% *  5.9660% (0.22   1.29   0.02) =   0.964%  kept
          HE3   TRP   27 - HN    VAL   24   8.34 +/- 0.38   8.738% *  3.6994% (0.76   0.23  23.22) =   0.475%  kept
          QE    PHE   95 - HN    VAL   24  17.50 +/- 2.79   1.467% *  0.4122% (0.99   0.02   0.02) =   0.009%
          HN    LEU   67 - HN    VAL   24  19.34 +/- 4.19   2.022% *  0.2856% (0.69   0.02   0.02) =   0.008%
          QD    PHE   55 - HN    VAL   24  22.74 +/- 3.60   0.628% *  0.3473% (0.84   0.02   0.02) =   0.003%
          HD1   TRP   49 - HN    VAL   24  22.43 +/- 5.96   0.843% *  0.1418% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HE1   TRP   27  16.77 +/- 8.45 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 4.14 A violated in 16 structures by 12.73 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.71, residual support = 21.0:
        T HN    ALA   34 - HN    ASN   35   2.73 +/- 0.07  85.485% * 97.1913% (0.98 10.00   4.73  21.05) =  99.692%  kept
          HN    GLN   32 - HN    ASN   35   5.07 +/- 0.40  14.139% *  1.8018% (0.53  1.00   0.69   3.33) =   0.306%  kept
        T HN    LEU   80 - HN    ASN   35  24.37 +/- 4.62   0.174% *  0.9153% (0.92 10.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    ASN   35  29.08 +/- 1.90   0.075% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  28.08 +/- 5.39   0.127% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.47, residual support = 18.8:
        T HN    SER   37 - HN    GLU-  36   2.57 +/- 0.22  99.276% * 99.7690% (0.98 10.00   4.47  18.82) = 100.000%  kept
          HN    ILE  119 - HN    GLU-  36  22.07 +/- 4.18   0.246% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HN    GLU-  36  17.02 +/- 1.54   0.394% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  29.61 +/- 4.00   0.084% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.37, residual support = 29.7:
        T HN    LYS+  38 - HN    THR   39   2.73 +/- 0.16  97.112% * 99.8693% (1.00 10.00   5.37  29.75) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.68 +/- 0.86   2.455% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  19.55 +/- 1.75   0.327% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  27.79 +/- 2.14   0.106% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 15.8:
          HN    MET   96 - HN    VAL   43   3.03 +/- 0.68  88.565% * 98.7178% (0.76   4.00  15.78) =  99.833%  kept
          HN    PHE   72 - HN    VAL   43   7.75 +/- 1.57  11.435% *  1.2822% (0.22   0.18   0.02) =   0.167%  kept
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 2.91, residual support = 2.53:
          HN    LEU   73 - HN    ASP-  44   6.34 +/- 2.36  51.041% * 65.6542% (0.38   3.43   3.39) =  69.334%  kept
          HN    VAL   42 - HN    ASP-  44   6.28 +/- 0.68  44.332% * 33.3275% (0.38   1.74   0.57) =  30.569%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.84 +/- 0.85   4.627% *  1.0183% (1.00   0.02   0.02) =   0.097%
    Distance limit 4.34 A violated in 2 structures by 0.84 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.95, residual support = 36.6:
          HN    VAL   42 - HN    VAL   43   4.21 +/- 0.22  70.172% * 70.7512% (0.38   6.40  41.24) =  88.047%  kept
          HN    LEU   73 - HN    VAL   43   7.12 +/- 1.97  23.385% * 28.6612% (0.38   2.59   2.81) =  11.886%  kept
          HN    LYS+ 106 - HN    VAL   43   9.87 +/- 0.92   6.443% *  0.5876% (1.00   0.02   0.02) =   0.067%
    Distance limit 4.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44  10.20 +/- 2.22  38.757% * 15.3753% (0.65   0.02   0.02) =  31.126%  kept
          HN    ALA   84 - HN    ASP-  44  13.41 +/- 1.96  20.028% * 23.7147% (1.00   0.02   0.02) =  24.809%  kept
          HN    LYS+ 111 - HN    ASP-  44  13.97 +/- 1.28  16.246% * 23.7147% (1.00   0.02   0.02) =  20.124%  kept
          HN    ILE   56 - HN    ASP-  44  13.46 +/- 1.51  19.440% * 18.1638% (0.76   0.02   0.02) =  18.444%  kept
          HE21  GLN   32 - HN    ASP-  44  20.48 +/- 3.39   5.530% * 19.0315% (0.80   0.02   0.02) =   5.497%  kept
    Distance limit 4.33 A violated in 19 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.529, support = 0.587, residual support = 1.36:
          QD    PHE   60 - HN    ASP-  44   6.50 +/- 2.05  49.409% * 44.1944% (0.41   0.73   1.86) =  72.454%  kept
          QE    PHE   59 - HN    ASP-  44   9.22 +/- 1.98  21.926% * 27.9941% (0.92   0.21   0.02) =  20.366%  kept
          HN    PHE   59 - HN    ASP-  44  12.27 +/- 1.94   7.332% * 24.7080% (0.57   0.30   0.02) =   6.011%  kept
          HN    LYS+  66 - HN    ASP-  44  11.80 +/- 1.66  11.626% *  2.6480% (0.90   0.02   0.02) =   1.021%  kept
          HN    LYS+  81 - HN    ASP-  44  14.22 +/- 2.62   9.708% *  0.4556% (0.15   0.02   0.02) =   0.147%  kept
    Distance limit 4.63 A violated in 8 structures by 1.51 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.721, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.29 +/- 1.72  45.959% * 36.0114% (0.77   0.02   0.02) =  49.689%  kept
          HN    GLN   17 - HN    ASP-  62  17.05 +/- 5.12  36.407% * 29.1578% (0.63   0.02   0.02) =  31.871%  kept
          HN    TRP   87 - HN    ASP-  62  22.04 +/- 4.00  17.634% * 34.8308% (0.75   0.02   0.02) =  18.440%  kept
    Distance limit 3.50 A violated in 20 structures by 9.08 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 5.76, residual support = 41.5:
        T HN    LEU   63 - HN    ASP-  62   2.62 +/- 0.23  95.098% * 66.9531% (0.32 10.00   5.85  42.26) =  98.279%  kept
        T HN    ILE   56 - HN    ASP-  62   9.05 +/- 1.32   3.416% * 32.5626% (0.42 10.00   0.75   0.02) =   1.717%  kept
          HN    LYS+ 111 - HN    ASP-  62  14.35 +/- 1.51   0.650% *  0.1547% (0.75  1.00   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    ASP-  62  20.54 +/- 4.37   0.565% *  0.1547% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  24.77 +/- 4.27   0.270% *  0.1749% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   9.75 +/- 1.77  82.071% * 48.0011% (0.92   0.02   0.02) =  80.864%  kept
          HN    ALA  110 - HN    LEU   73  17.08 +/- 2.66  17.929% * 51.9989% (1.00   0.02   0.02) =  19.136%  kept
    Distance limit 4.09 A violated in 20 structures by 5.57 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.474, support = 3.73, residual support = 16.9:
          HN    VAL   75 - HN    ASP-  76   4.31 +/- 0.19  62.304% * 40.7337% (0.28   4.64  26.44) =  56.123%  kept
          HN    ASP-  78 - HN    ASP-  76   5.39 +/- 0.43  33.722% * 58.8074% (0.73   2.56   4.64) =  43.855%  kept
          HN    LYS+ 112 - HN    ASP-  76  18.54 +/- 3.70   2.707% *  0.2833% (0.45   0.02   0.02) =   0.017%
          HN    MET   11 - HN    ASP-  76  25.67 +/- 7.64   1.267% *  0.1757% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.31, residual support = 28.4:
        T HN    LYS+ 111 - HN    LYS+ 112   4.39 +/- 0.13  80.799% * 97.6939% (0.87 10.00   5.33  28.51) =  99.610%  kept
          HN    ILE   56 - HN    LYS+ 112   8.40 +/- 1.80  14.914% *  2.0558% (0.49  1.00   0.75   7.16) =   0.387%  kept
          HN    LEU   63 - HN    LYS+ 112  13.77 +/- 1.24   2.909% *  0.0423% (0.38  1.00   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    LYS+ 112  20.34 +/- 2.77   1.073% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  30.47 +/- 3.48   0.305% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 0.522, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HN    GLN  116   9.17 +/- 2.15  37.966% * 26.8436% (0.65   0.02   0.02) =  57.778%  kept
          QD    PHE   55 - HN    GLN  116   8.79 +/- 2.43  42.019% * 11.5373% (0.28   0.02   0.02) =  27.484%  kept
          HN    LYS+  66 - HN    GLN  116  14.49 +/- 1.79  13.335% *  8.2119% (0.20   0.02   0.02) =   6.208%  kept
          HN    LYS+  81 - HN    GLN  116  23.83 +/- 2.96   2.227% * 39.2529% (0.95   0.02   0.02) =   4.956%  kept
          HE3   TRP   27 - HN    GLN  116  19.45 +/- 3.22   4.453% * 14.1544% (0.34   0.02   0.02) =   3.574%  kept
    Distance limit 4.41 A violated in 17 structures by 2.94 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.786, support = 6.08, residual support = 47.3:
      O   HA    ILE  119 - HN    ALA  120   3.60 +/- 0.03  59.116% * 82.8830% (0.80  10.0   6.24  53.32) =  88.597%  kept
          HA    THR  118 - HN    ALA  120   4.27 +/- 0.43  37.343% * 16.8851% (0.67   1.0   4.87   0.59) =  11.401%  kept
          HD3   PRO   58 - HN    ALA  120  11.77 +/- 0.90   1.837% *  0.0189% (0.18   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  16.39 +/- 1.60   0.803% *  0.0393% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  120  18.81 +/- 1.59   0.459% *  0.0393% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  24.03 +/- 2.62   0.235% *  0.0765% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  24.87 +/- 2.53   0.207% *  0.0580% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 0.998, residual support = 5.29:
          HA    SER  117 - HN    ALA  120   3.73 +/- 0.34  92.766% * 96.3713% (0.92   1.00   5.30) =  99.920%  kept
          HA    ASP-  62 - HN    ALA  120  12.27 +/- 1.76   3.245% *  1.0173% (0.49   0.02   0.02) =   0.037%
          HB    THR   26 - HN    ALA  120  22.56 +/- 5.93   1.255% *  1.4778% (0.71   0.02   0.02) =   0.021%
          HA    ALA   57 - HN    ALA  120  13.29 +/- 1.25   2.268% *  0.7949% (0.38   0.02   0.02) =   0.020%
          HA1   GLY   51 - HN    ALA  120  22.35 +/- 1.65   0.465% *  0.3386% (0.16   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.14, residual support = 119.7:
      O   HG3   GLN  116 - HE21  GLN  116   3.38 +/- 0.46  98.726% * 99.8198% (0.69  10.0   4.14 119.68) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  24.09 +/- 2.66   0.320% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  18.37 +/- 1.45   0.724% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  28.61 +/- 3.79   0.231% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.655, support = 3.47, residual support = 84.7:
          HB3   LEU  115 - HE21  GLN  116   7.92 +/- 1.58  13.009% * 60.7597% (0.95   3.61  98.87) =  45.671%  kept
          HG    LEU  115 - HE21  GLN  116   7.10 +/- 1.67  22.344% * 30.9885% (0.41   4.24  98.87) =  40.010%  kept
          QB    ALA  120 - HE21  GLN  116   5.25 +/- 1.66  39.060% *  6.2118% (0.41   0.85   0.20) =  14.020%  kept
          HG    LEU   73 - HE21  GLN  116  18.70 +/- 6.23   7.555% *  0.3084% (0.87   0.02   0.02) =   0.135%  kept
          QG    LYS+  66 - HE21  GLN  116  13.84 +/- 3.22   3.223% *  0.2442% (0.69   0.02   0.02) =   0.045%
          QB    ALA   61 - HE21  GLN  116  10.95 +/- 2.60   5.677% *  0.1213% (0.34   0.02   0.02) =   0.040%
          HG    LEU   67 - HE21  GLN  116  17.61 +/- 2.76   1.277% *  0.3084% (0.87   0.02   0.02) =   0.023%
          HG    LEU   40 - HE21  GLN  116  17.92 +/- 3.38   0.939% *  0.3364% (0.95   0.02   0.02) =   0.018%
          QB    ALA  110 - HE21  GLN  116  11.04 +/- 2.07   4.246% *  0.0623% (0.18   0.02   0.02) =   0.015%
          HB3   LEU   67 - HE21  GLN  116  16.93 +/- 2.81   1.125% *  0.1731% (0.49   0.02   0.02) =   0.011%
          HG2   LYS+ 102 - HE21  GLN  116  25.09 +/- 2.91   0.297% *  0.3364% (0.95   0.02   0.02) =   0.006%
          HB3   LEU   40 - HE21  GLN  116  18.85 +/- 4.04   0.930% *  0.0792% (0.22   0.02   0.02) =   0.004%
          HG    LEU   80 - HE21  GLN  116  25.79 +/- 4.75   0.319% *  0.0704% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.502, support = 1.4, residual support = 0.749:
          QB    GLU- 114 - HN    SER  117   4.80 +/- 0.32  43.001% * 63.7209% (0.61   1.32   0.79) =  73.613%  kept
          HB    ILE  119 - HN    SER  117   5.09 +/- 0.56  37.082% * 25.7678% (0.20   1.64   0.64) =  25.671%  kept
          HB2   LYS+ 111 - HN    SER  117   7.94 +/- 1.13  11.621% *  1.5839% (1.00   0.02   0.02) =   0.494%  kept
          HB3   GLU-  25 - HN    SER  117  26.88 +/- 6.15   1.328% *  1.4653% (0.92   0.02   0.02) =   0.052%
          HB    ILE   19 - HN    SER  117  20.80 +/- 4.47   1.572% *  0.8352% (0.53   0.02   0.02) =   0.035%
          HB2   GLN   17 - HN    SER  117  22.36 +/- 3.96   0.731% *  1.5839% (1.00   0.02   0.02) =   0.031%
          HB3   PRO   68 - HN    SER  117  18.85 +/- 3.02   0.867% *  1.3259% (0.84   0.02   0.02) =   0.031%
          HG2   PRO   68 - HN    SER  117  17.58 +/- 3.48   1.219% *  0.7117% (0.45   0.02   0.02) =   0.023%
          QB    GLU-  15 - HN    SER  117  21.90 +/- 2.19   0.512% *  1.5839% (1.00   0.02   0.02) =   0.022%
          HG3   GLN   30 - HN    SER  117  22.12 +/- 4.21   0.800% *  0.7117% (0.45   0.02   0.02) =   0.015%
          HB2   GLN   30 - HN    SER  117  21.10 +/- 3.47   0.815% *  0.3141% (0.20   0.02   0.02) =   0.007%
          HB3   GLU- 100 - HN    SER  117  23.00 +/- 2.88   0.452% *  0.3958% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.45, residual support = 2.87:
          HG    LEU  115 - HN    SER  117   5.49 +/- 0.72  28.931% * 41.0714% (0.84   2.93   2.24) =  41.901%  kept
          HB3   LEU  115 - HN    SER  117   5.53 +/- 0.32  26.423% * 40.0718% (0.92   2.59   2.24) =  37.338%  kept
          QB    ALA  120 - HN    SER  117   5.17 +/- 0.65  33.473% * 17.5289% (0.84   1.25   5.30) =  20.690%  kept
          HG    LEU   67 - HN    SER  117  17.23 +/- 2.51   1.592% *  0.3290% (0.98   0.02   0.02) =   0.018%
          HG    LEU   73 - HN    SER  117  17.47 +/- 5.82   3.305% *  0.1505% (0.45   0.02   0.02) =   0.018%
          HG    LEU   40 - HN    SER  117  16.35 +/- 2.94   1.285% *  0.3098% (0.92   0.02   0.02) =   0.014%
          HB3   LEU   40 - HN    SER  117  17.24 +/- 3.61   1.210% *  0.2036% (0.61   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    SER  117  14.72 +/- 2.81   2.037% *  0.0933% (0.28   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    SER  117  21.71 +/- 2.88   0.504% *  0.1900% (0.57   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    SER  117  16.56 +/- 2.33   1.241% *  0.0518% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.975, support = 2.91, residual support = 14.3:
          HB2   PHE   97 - HN    LEU  104   3.71 +/- 0.69  58.448% * 72.2357% (1.00   3.10  15.22) =  92.116%  kept
          QE    LYS+ 106 - HN    LEU  104   6.46 +/- 1.05  17.972% * 14.9148% (0.76   0.84   0.23) =   5.848%  kept
          QE    LYS+  99 - HN    LEU  104   7.04 +/- 1.63  17.651% *  3.9289% (0.38   0.45  18.46) =   1.513%  kept
          HB3   TRP   27 - HN    LEU  104  15.52 +/- 4.17   2.740% *  8.5744% (0.99   0.37   1.54) =   0.513%  kept
          HB3   PHE   60 - HN    LEU  104  15.90 +/- 2.11   1.158% *  0.2643% (0.57   0.02   0.02) =   0.007%
          QE    LYS+  38 - HN    LEU  104  13.91 +/- 2.46   2.032% *  0.0818% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.75 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 = 0.919, support = 5.25, residual support = 33.8:
          HG12  ILE  103 - HN    LEU  104   4.32 +/- 0.57  46.931% * 83.2250% (0.97   5.61  37.42) =  90.212%  kept
          QB    LYS+ 102 - HN    LEU  104   5.49 +/- 0.89  27.333% * 15.2623% (0.49   2.04   0.33) =   9.635%  kept
          HB    VAL   41 - HN    LEU  104   7.67 +/- 2.11  16.965% *  0.3077% (1.00   0.02   0.02) =   0.121%  kept
          HB2   LEU   71 - HN    LEU  104  12.52 +/- 3.45   5.015% *  0.1049% (0.34   0.02   0.02) =   0.012%
          QB    LYS+  66 - HN    LEU  104  16.89 +/- 2.97   1.019% *  0.2910% (0.95   0.02   0.02) =   0.007%
          HG    LEU  123 - HN    LEU  104  17.87 +/- 4.74   0.972% *  0.2351% (0.76   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    LEU  104  17.95 +/- 0.90   0.669% *  0.2234% (0.73   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    LEU  104  23.20 +/- 3.08   0.411% *  0.2351% (0.76   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    LEU  104  18.11 +/- 2.05   0.684% *  0.1155% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.607, support = 1.78, residual support = 29.9:
          QB    LEU   98 - HN    ILE  103   3.95 +/- 0.85  68.597% * 88.9466% (0.61   1.79  30.06) =  99.332%  kept
          HD3   LYS+ 121 - HN    ILE  103  14.05 +/- 6.47  21.978% *  1.4698% (0.90   0.02   0.02) =   0.526%  kept
          QB    ALA   12 - HN    ILE  103  23.12 +/- 6.28   3.384% *  0.5590% (0.34   0.02   0.02) =   0.031%
          HG    LEU   80 - HN    ILE  103  21.36 +/- 7.07   0.977% *  1.2525% (0.76   0.02   0.02) =   0.020%
          QB    ALA  110 - HN    ILE  103  17.18 +/- 1.34   0.862% *  1.3123% (0.80   0.02   0.02) =   0.018%
          HB2   LEU   80 - HN    ILE  103  21.21 +/- 5.70   0.698% *  1.6064% (0.98   0.02   0.02) =   0.018%
          HG12  ILE   19 - HN    ILE  103  19.24 +/- 3.10   0.749% *  1.4216% (0.87   0.02   0.02) =   0.017%
          HB3   LYS+  74 - HN    ILE  103  19.62 +/- 2.35   0.584% *  1.4216% (0.87   0.02   0.02) =   0.014%
          HB3   LEU   67 - HN    ILE  103  18.12 +/- 3.60   0.965% *  0.6738% (0.41   0.02   0.02) =   0.011%
          QB    ALA   61 - HN    ILE  103  18.78 +/- 1.84   0.632% *  0.9278% (0.57   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    ILE  103  20.38 +/- 3.08   0.573% *  0.4087% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.727, support = 5.2, residual support = 34.5:
          QD2   LEU  104 - HN    ILE  103   5.00 +/- 1.03  24.031% * 79.0091% (1.00   5.57  37.42) =  60.582%  kept
          QD1   LEU   98 - HN    ILE  103   3.00 +/- 0.80  61.061% * 20.2093% (0.31   4.62  30.06) =  39.375%  kept
          QG1   VAL   41 - HN    ILE  103   7.32 +/- 2.00   8.114% *  0.0561% (0.20   0.02   0.02) =   0.015%
          QG1   VAL   43 - HN    ILE  103   8.91 +/- 1.57   4.546% *  0.0967% (0.34   0.02   0.02) =   0.014%
          QD1   ILE   19 - HN    ILE  103  16.10 +/- 2.40   0.639% *  0.2736% (0.97   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    ILE  103  17.13 +/- 3.19   0.966% *  0.1605% (0.57   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    ILE  103  16.18 +/- 1.89   0.644% *  0.1947% (0.69   0.02   0.02) =   0.004%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.41, support = 6.85, residual support = 214.6:
          QD1   LEU  104 - HN    LEU  104   3.91 +/- 0.42  66.488% * 97.1194% (0.41   6.87 215.09) =  99.788%  kept
          QD1   LEU   63 - HN    LEU  104  11.43 +/- 2.91   6.636% *  0.6638% (0.97   0.02   0.02) =   0.068%
          QD2   LEU   63 - HN    LEU  104  11.89 +/- 3.19   5.449% *  0.4995% (0.73   0.02   0.02) =   0.042%
          QD1   LEU   73 - HN    LEU  104  12.77 +/- 2.43   3.947% *  0.6638% (0.97   0.02   0.02) =   0.040%
          QG2   VAL   41 - HN    LEU  104   7.46 +/- 1.19  12.582% *  0.1361% (0.20   0.02   0.02) =   0.026%
          QD2   LEU  115 - HN    LEU  104  12.61 +/- 1.89   3.257% *  0.4725% (0.69   0.02   0.02) =   0.024%
          QD2   LEU   80 - HN    LEU  104  18.10 +/- 5.37   1.640% *  0.4450% (0.65   0.02   0.02) =   0.011%
    Distance limit 4.68 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 = 0.647, support = 4.89, residual support = 18.0:
          QD1   LEU   98 - HN    ASP- 105   5.65 +/- 0.83  32.501% * 76.0385% (0.95   3.86   6.78) =  61.159%  kept
          QD2   LEU  104 - HN    ASP- 105   4.00 +/- 0.77  66.139% * 23.7258% (0.18   6.51  35.78) =  38.833%  kept
          QG2   ILE   19 - HN    ASP- 105  15.67 +/- 2.01   1.360% *  0.2357% (0.57   0.02   0.02) =   0.008%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.896, support = 4.01, residual support = 135.5:
          HG3   LYS+ 106 - HN    LYS+ 106   3.52 +/- 0.69  67.411% * 95.5266% (0.90   4.01 135.64) =  99.882%  kept
          QB    LEU   98 - HN    LYS+ 106   8.47 +/- 1.03   7.041% *  0.2182% (0.41   0.02   0.02) =   0.024%
          HB    VAL   42 - HN    LYS+ 106  11.68 +/- 1.22   2.502% *  0.5296% (1.00   0.02   0.02) =   0.021%
          HG3   LYS+ 102 - HN    LYS+ 106  12.31 +/- 1.34   1.982% *  0.5261% (0.99   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - HN    LYS+ 106  10.51 +/- 4.42   9.659% *  0.0930% (0.18   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - HN    LYS+ 106  15.00 +/- 1.14   1.145% *  0.5123% (0.97   0.02   0.02) =   0.009%
          HB3   LEU   73 - HN    LYS+ 106  16.61 +/- 2.93   1.066% *  0.5296% (1.00   0.02   0.02) =   0.009%
          HG    LEU   98 - HN    LYS+ 106  10.22 +/- 1.35   3.837% *  0.1182% (0.22   0.02   0.02) =   0.007%
          HB3   PRO   93 - HN    LYS+ 106  13.24 +/- 0.82   1.586% *  0.1811% (0.34   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+ 106  19.76 +/- 2.23   0.535% *  0.5203% (0.98   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LYS+ 106  20.93 +/- 2.04   0.433% *  0.5296% (1.00   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    LYS+ 106  17.25 +/- 2.06   0.801% *  0.1638% (0.31   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LYS+ 106  24.85 +/- 4.49   0.302% *  0.3646% (0.69   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+ 106  17.11 +/- 3.82   1.091% *  0.0819% (0.15   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 106  18.86 +/- 2.09   0.609% *  0.1050% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.84, residual support = 26.2:
          QG1   VAL  107 - HN    LYS+ 106   4.45 +/- 0.63  72.125% * 97.0505% (0.53   2.85  26.28) =  99.673%  kept
          QG2   VAL   24 - HN    LYS+ 106  16.83 +/- 4.69  14.889% *  1.1225% (0.87   0.02   0.02) =   0.238%  kept
          HG    LEU   63 - HN    LYS+ 106  14.50 +/- 3.43   3.707% *  0.9397% (0.73   0.02   0.02) =   0.050%
          QG1   VAL   24 - HN    LYS+ 106  18.16 +/- 4.54   4.720% *  0.2881% (0.22   0.02   0.02) =   0.019%
          HG3   LYS+ 112 - HN    LYS+ 106  14.33 +/- 1.37   2.572% *  0.3994% (0.31   0.02   0.02) =   0.015%
          HD3   LYS+ 112 - HN    LYS+ 106  15.44 +/- 1.53   1.987% *  0.1997% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.91 A violated in 0 structures by 0.05 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   3.58 +/- 0.31  95.164% * 99.4337% (0.98   4.52  65.00) =  99.990%  kept
          QD1   LEU   40 - HN    VAL  108  14.00 +/- 1.90   1.976% *  0.2184% (0.49   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    VAL  108  15.72 +/- 3.00   1.613% *  0.2361% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   67 - HN    VAL  108  16.67 +/- 2.33   1.246% *  0.1119% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.49 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 = 0.996, support = 2.96, residual support = 7.71:
          QG2   ILE   89 - HN    ALA   91   3.59 +/- 0.68  62.861% * 98.1022% (1.00   2.96   7.73) =  99.561%  kept
          QD1   LEU  104 - HN    TRP   27  14.20 +/- 5.00  18.623% *  1.1896% (0.02   1.88   1.54) =   0.358%  kept
          QG1   VAL   83 - HN    ALA   91   9.60 +/- 1.95  11.038% *  0.3483% (0.53   0.02   0.02) =   0.062%
          QG1   VAL   83 - HN    TRP   27  15.39 +/- 6.94   6.126% *  0.1759% (0.07   0.08   0.02) =   0.017%
          QG2   ILE   89 - HN    TRP   27  17.94 +/- 4.49   0.951% *  0.0818% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  20.38 +/- 2.18   0.400% *  0.1022% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.451, support = 5.26, residual support = 39.5:
          HG3   LYS+  99 - HN    GLU- 100   3.63 +/- 0.74  46.561% * 94.9512% (0.45   5.30  39.84) =  99.200%  kept
          QG2   THR   39 - HN    GLU- 100   6.73 +/- 2.48  23.538% *  0.7563% (0.95   0.02   0.02) =   0.399%  kept
          QB    ALA   34 - HN    GLU- 100   6.49 +/- 1.91  17.259% *  0.5806% (0.73   0.02   0.02) =   0.225%  kept
          HG3   LYS+  38 - HN    GLU- 100   9.76 +/- 2.55   7.131% *  0.7925% (0.99   0.02   0.02) =   0.127%  kept
          HG    LEU   71 - HN    GLU- 100  11.96 +/- 3.00   2.580% *  0.3001% (0.38   0.02   0.02) =   0.017%
          HG13  ILE   19 - HN    GLU- 100  16.24 +/- 2.53   0.940% *  0.5172% (0.65   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    GLU- 100  19.98 +/- 1.75   0.397% *  0.7170% (0.90   0.02   0.02) =   0.006%
          QG2   THR   23 - HN    GLU- 100  17.95 +/- 3.56   0.894% *  0.3001% (0.38   0.02   0.02) =   0.006%
          QB    ALA   91 - HN    GLU- 100  21.48 +/- 2.08   0.330% *  0.7563% (0.95   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HN    GLU- 100  19.69 +/- 2.28   0.370% *  0.3287% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.972, residual support = 5.45:
          QB    ALA   84 - HN    LYS+  81   4.56 +/- 0.26  68.400% * 76.0466% (0.57   0.98   5.52) =  98.893%  kept
          HG3   LYS+  65 - HN    LYS+  81  20.89 +/- 6.07  12.920% *  2.3701% (0.87   0.02   0.02) =   0.582%  kept
          HB3   LEU   73 - HN    LYS+  81  15.83 +/- 2.65   2.213% *  2.5222% (0.92   0.02   0.02) =   0.106%  kept
          HB3   PRO   93 - HN    LYS+  81  15.03 +/- 2.49   2.765% *  1.6572% (0.61   0.02   0.02) =   0.087%
          HG3   LYS+ 106 - HN    LYS+  81  21.09 +/- 3.83   0.989% *  2.7323% (1.00   0.02   0.02) =   0.051%
          HB    VAL   42 - HN    LYS+  81  19.11 +/- 2.33   1.095% *  2.3701% (0.87   0.02   0.02) =   0.049%
          HB2   LYS+ 112 - HN    LYS+  81  22.80 +/- 3.93   0.926% *  2.6782% (0.98   0.02   0.02) =   0.047%
          HB3   ASP-  44 - HN    LYS+  81  15.15 +/- 2.62   3.668% *  0.6083% (0.22   0.02   0.02) =   0.042%
          HG3   LYS+  33 - HN    LYS+  81  25.35 +/- 6.71   0.729% *  2.1878% (0.80   0.02   0.02) =   0.030%
          HG3   LYS+ 102 - HN    LYS+  81  26.49 +/- 5.18   0.531% *  2.5846% (0.95   0.02   0.02) =   0.026%
          HG    LEU   98 - HN    LYS+  81  21.62 +/- 4.69   1.092% *  1.2250% (0.45   0.02   0.02) =   0.025%
          QB    ALA   12 - HN    LYS+  81  25.13 +/- 7.25   1.165% *  1.1233% (0.41   0.02   0.02) =   0.025%
          QB    LEU   98 - HN    LYS+  81  18.71 +/- 3.63   1.577% *  0.5407% (0.20   0.02   0.02) =   0.016%
          HB2   LEU   63 - HN    LYS+  81  20.19 +/- 4.28   1.579% *  0.4216% (0.15   0.02   0.02) =   0.013%
          QB    ALA  124 - HN    LYS+  81  28.07 +/- 3.93   0.352% *  0.9320% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.27 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.82, residual support = 214.0:
          QD1   ILE   89 - HN    ILE   89   3.17 +/- 0.80  76.712% * 95.3570% (0.92   5.89 216.93) =  98.664%  kept
          QG2   VAL   83 - HN    ILE   89   5.53 +/- 0.74  22.464% *  4.4021% (1.00   0.25   0.02) =   1.334%  kept
          QD2   LEU   31 - HN    ILE   89  18.94 +/- 4.73   0.824% *  0.2409% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.365, support = 4.18, residual support = 10.6:
          QB    ALA   88 - HN    ILE   89   3.30 +/- 0.41  59.993% * 60.5424% (0.34   4.82   9.51) =  77.076%  kept
          QB    ALA   84 - HN    ILE   89   4.47 +/- 0.63  31.941% * 33.6677% (0.45   2.04  14.42) =  22.820%  kept
          HB3   LEU   80 - HN    ILE   89   9.89 +/- 1.48   3.388% *  0.7213% (0.98   0.02   0.02) =   0.052%
          HB3   ASP-  44 - HN    ILE   89  14.26 +/- 2.80   1.477% *  0.6146% (0.84   0.02   0.02) =   0.019%
          HB3   PRO   93 - HN    ILE   89  12.27 +/- 1.42   1.370% *  0.3025% (0.41   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - HN    ILE   89  17.56 +/- 2.81   0.514% *  0.7213% (0.98   0.02   0.02) =   0.008%
          HB2   LEU   31 - HN    ILE   89  24.30 +/- 5.97   0.312% *  0.7342% (1.00   0.02   0.02) =   0.005%
          HB2   LEU   63 - HN    ILE   89  20.83 +/- 3.16   0.320% *  0.6793% (0.92   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ILE   89  20.32 +/- 4.32   0.347% *  0.4166% (0.57   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    ILE   89  26.18 +/- 3.55   0.136% *  0.5892% (0.80   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ILE   89  28.05 +/- 2.91   0.108% *  0.5055% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ILE   89  29.73 +/- 3.76   0.095% *  0.5055% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.587, support = 4.29, residual support = 35.7:
          QB    ALA   91 - HN    GLN   90   4.46 +/- 0.53  41.626% * 61.1603% (0.84   3.04  31.98) =  57.689%  kept
          HG12  ILE   89 - HN    GLN   90   4.15 +/- 0.71  51.867% * 35.9682% (0.25   5.99  40.90) =  42.273%  kept
          QG2   ILE   56 - HN    GLN   90  12.73 +/- 2.60   2.504% *  0.1807% (0.38   0.02   0.02) =   0.010%
          HG2   LYS+  74 - HN    GLN   90  16.77 +/- 1.93   0.999% *  0.4445% (0.92   0.02   0.02) =   0.010%
          HG13  ILE   19 - HN    GLN   90  25.19 +/- 6.15   0.419% *  0.4816% (1.00   0.02   0.02) =   0.005%
          QG2   THR   39 - HN    GLN   90  22.25 +/- 2.53   0.410% *  0.4022% (0.84   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    GLN   90  24.58 +/- 3.69   0.347% *  0.4319% (0.90   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    GLN   90  27.20 +/- 2.49   0.218% *  0.4555% (0.95   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HN    GLN   90  16.87 +/- 2.13   0.983% *  0.0953% (0.20   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    GLN   90  21.79 +/- 3.07   0.485% *  0.1072% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    GLN   90  31.55 +/- 3.39   0.141% *  0.2726% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.93 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 = 94.8:
      O   QG    GLN   90 - HE21  GLN   90   2.36 +/- 0.39  95.656% * 98.4545% (0.34  10.0   3.03  94.81) =  99.989%  kept
          HG3   MET   92 - HE21  GLN   90  10.90 +/- 2.26   2.700% *  0.2886% (1.00   1.0   0.02   0.19) =   0.008%
          HB3   ASP-  76 - HE21  GLN   90  15.85 +/- 2.53   0.417% *  0.1634% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HE21  GLN   90  30.34 +/- 6.66   0.125% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  24.44 +/- 3.07   0.130% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  17.66 +/- 2.55   0.448% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  24.88 +/- 1.98   0.108% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  23.86 +/- 3.13   0.155% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  32.16 +/- 3.42   0.051% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  30.69 +/- 6.63   0.102% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  30.30 +/- 7.46   0.109% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 94.8:
      O   HB2   GLN   90 - HN    GLN   90   3.43 +/- 0.68  91.772% * 99.4917% (0.73  10.0   5.59  94.81) =  99.989%  kept
          HB3   GLU-  79 - HN    GLN   90  12.47 +/- 2.91   7.045% *  0.1343% (0.98   1.0   0.02   0.02) =   0.010%
          HB3   GLU-  29 - HN    GLN   90  28.35 +/- 5.59   0.284% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  28.43 +/- 2.97   0.221% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  28.23 +/- 5.91   0.303% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  28.78 +/- 2.49   0.214% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  31.39 +/- 2.91   0.160% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.854, support = 5.43, residual support = 43.8:
          QD2   LEU   73 - HN    PHE   72   4.47 +/- 0.78  37.567% * 95.4986% (0.87   5.55  44.90) =  97.574%  kept
          QG2   VAL   18 - HN    PHE   72   8.59 +/- 6.13  24.500% *  3.2520% (0.34   0.48   1.32) =   2.167%  kept
          QG1   VAL   41 - HN    PHE   72   7.60 +/- 1.33  11.428% *  0.3030% (0.76   0.02   0.02) =   0.094%
          QG1   VAL   43 - HN    PHE   72   7.50 +/- 1.58  15.029% *  0.2245% (0.57   0.02   0.02) =   0.092%
          HG    LEU   31 - HN    PHE   72  10.33 +/- 1.97   3.782% *  0.3826% (0.97   0.02   0.02) =   0.039%
          QD1   ILE   56 - HN    PHE   72  12.67 +/- 2.49   3.345% *  0.2405% (0.61   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    PHE   72  10.55 +/- 1.60   4.348% *  0.0989% (0.25   0.02   0.02) =   0.012%
    Distance limit 4.66 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 46.9:
          QB    ALA   64 - HN    PHE   72   4.68 +/- 1.55  93.555% * 99.9191% (1.00   4.32  46.86) =  99.994%  kept
          QB    ALA   47 - HN    PHE   72  14.95 +/- 1.91   6.445% *  0.0809% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.71 A violated in 3 structures by 0.56 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.702, support = 2.54, residual support = 7.77:
          HB    ILE   19 - HN    LYS+  74   9.00 +/- 6.83  35.899% * 91.7444% (0.71   2.58   7.89) =  98.386%  kept
          HB2   GLN   17 - HN    LYS+  74  13.74 +/- 7.31   6.411% *  4.7747% (0.43   0.22   0.02) =   0.914%  kept
          HG2   PRO   68 - HN    LYS+  74  14.53 +/- 2.26   9.642% *  0.6996% (0.69   0.02   0.02) =   0.201%  kept
          QB    GLU- 114 - HN    LYS+  74  17.17 +/- 3.43   6.302% *  0.7121% (0.71   0.02   0.02) =   0.134%  kept
          HB2   LEU  115 - HN    LYS+  74  15.29 +/- 4.19  14.659% *  0.2435% (0.24   0.02   0.02) =   0.107%  kept
          HB3   GLU-  25 - HN    LYS+  74  15.37 +/- 4.55   3.854% *  0.5715% (0.57   0.02   0.02) =   0.066%
          QB    GLU-  15 - HN    LYS+  74  14.78 +/- 5.76   4.765% *  0.4329% (0.43   0.02   0.02) =   0.062%
          HB3   PRO   68 - HN    LYS+  74  14.42 +/- 2.50  10.946% *  0.1780% (0.18   0.02   0.02) =   0.058%
          HB2   LYS+ 111 - HN    LYS+  74  20.23 +/- 3.95   3.569% *  0.3755% (0.37   0.02   0.02) =   0.040%
          HG3   PRO   58 - HN    LYS+  74  17.36 +/- 1.93   3.955% *  0.2679% (0.27   0.02   0.02) =   0.032%
    Distance limit 4.70 A violated in 8 structures by 1.71 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.43, residual support = 41.5:
          QD1   LEU   73 - HN    LYS+  74   4.41 +/- 0.58  56.271% * 97.1378% (0.37   5.45  41.69) =  99.606%  kept
          QD2   LEU  115 - HN    LYS+  74  12.53 +/- 3.56  12.042% *  0.5873% (0.61   0.02   0.02) =   0.129%  kept
          QD2   LEU   80 - HN    LYS+  74  10.53 +/- 3.08   8.858% *  0.6072% (0.64   0.02   0.02) =   0.098%
          QD1   LEU   63 - HN    LYS+  74   9.46 +/- 1.81  12.028% *  0.3562% (0.37   0.02   0.02) =   0.078%
          QD1   LEU  104 - HN    LYS+  74  14.37 +/- 2.93   3.588% *  0.6755% (0.71   0.02   0.02) =   0.044%
          QG1   VAL   83 - HN    LYS+  74  11.99 +/- 2.12   4.081% *  0.5174% (0.54   0.02   0.02) =   0.038%
          QG2   ILE   89 - HN    LYS+  74  13.16 +/- 2.29   3.132% *  0.1186% (0.12   0.02   0.02) =   0.007%
    Distance limit 4.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.354, support = 4.55, residual support = 27.4:
          QG2   THR   77 - HN    ASP-  78   3.86 +/- 0.71  56.777% * 77.7634% (0.34   4.73  28.28) =  95.749%  kept
          HB3   LEU   80 - HN    ASP-  78   7.39 +/- 0.92  11.273% * 16.3256% (0.69   0.49   7.12) =   3.991%  kept
          HG2   LYS+ 111 - HN    ASP-  78  19.15 +/- 4.35   4.561% *  0.8636% (0.90   0.02   0.02) =   0.085%
          QB    ALA   84 - HN    ASP-  78   6.35 +/- 1.08  16.903% *  0.1486% (0.15   0.02   0.02) =   0.054%
          HB3   ASP-  44 - HN    ASP-  78  10.56 +/- 2.19   5.193% *  0.4317% (0.45   0.02   0.02) =   0.049%
          QB    ALA   88 - HN    ASP-  78  12.13 +/- 1.05   2.158% *  0.6992% (0.73   0.02   0.02) =   0.033%
          HB2   LEU   63 - HN    ASP-  78  15.41 +/- 2.56   1.292% *  0.5452% (0.57   0.02   0.02) =   0.015%
          HB2   LEU   31 - HN    ASP-  78  20.81 +/- 4.01   0.543% *  0.8043% (0.84   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    ASP-  78  24.78 +/- 1.99   0.250% *  0.9629% (1.00   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    ASP-  78  26.33 +/- 2.23   0.197% *  0.9439% (0.98   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    ASP-  78  19.69 +/- 2.71   0.576% *  0.2144% (0.22   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ASP-  78  24.64 +/- 2.22   0.277% *  0.2972% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.934, support = 0.683, residual support = 0.448:
          QB    ALA   47 - HN    ASP-  78   7.86 +/- 3.51  59.213% * 61.6092% (0.92   0.75   0.55) =  80.423%  kept
          QG1   VAL   42 - HN    ASP-  78  12.13 +/- 1.21  23.388% * 36.7478% (0.98   0.42   0.02) =  18.947%  kept
          HG2   LYS+ 112 - HN    ASP-  78  17.68 +/- 4.28  17.399% *  1.6429% (0.92   0.02   0.02) =   0.630%  kept
    Distance limit 4.64 A violated in 12 structures by 2.61 A, kept.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.653, support = 4.26, residual support = 25.0:
          HB    THR   77 - HN    ASP-  78   3.80 +/- 0.28  57.429% * 38.0670% (0.45   4.73  28.28) =  56.599%  kept
          HA    GLU-  79 - HN    ASP-  78   4.89 +/- 0.26  27.774% * 60.2238% (0.92   3.64  20.70) =  43.304%  kept
          HA    ALA   57 - HN    ASP-  78  14.33 +/- 4.36   6.783% *  0.3216% (0.90   0.02   0.02) =   0.056%
          HA1   GLY   51 - HN    ASP-  78  14.50 +/- 3.69   1.635% *  0.3579% (1.00   0.02   0.02) =   0.015%
          HA    ASP-  44 - HN    ASP-  78  10.57 +/- 1.50   3.012% *  0.1346% (0.38   0.02   0.02) =   0.010%
          HA    SER   85 - HN    ASP-  78  12.13 +/- 1.19   1.973% *  0.1608% (0.45   0.02   0.02) =   0.008%
          HA    THR   39 - HN    ASP-  78  22.07 +/- 1.91   0.326% *  0.3461% (0.97   0.02   0.02) =   0.003%
          HA    ILE  103 - HN    ASP-  78  20.92 +/- 2.06   0.394% *  0.2030% (0.57   0.02   0.02) =   0.002%
          HA    MET   11 - HN    ASP-  78  28.61 +/- 7.24   0.373% *  0.1223% (0.34   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  78  22.94 +/- 2.24   0.300% *  0.0628% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 39.5:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.05  91.405% * 98.6800% (1.00  10.0   4.57  39.54) =  99.917%  kept
          HA    LEU   80 - HN    ASP-  78   7.03 +/- 0.60   6.173% *  1.1855% (0.49   1.0   0.49   7.12) =   0.081%
          HA    THR   23 - HN    ASP-  78  16.46 +/- 6.25   1.383% *  0.0856% (0.87   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP-  78  18.25 +/- 6.20   0.822% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.59 +/- 1.90   0.217% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 8.3, residual support = 204.8:
      O   HA    ILE  119 - HN    ILE  119   2.79 +/- 0.06  60.913% * 50.7779% (1.00  10.0   8.59 270.09) =  67.893%  kept
      O   HA    THR  118 - HN    ILE  119   3.54 +/- 0.05  29.847% * 49.0042% (0.97  10.0   7.68  66.63) =  32.105%  kept
          HA2   GLY  109 - HN    ILE  119  14.30 +/- 1.68   0.583% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  17.23 +/- 4.80   1.075% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    CYS   21  10.46 +/- 7.40   5.635% *  0.0028% (0.06   1.0   0.02   1.15) =   0.000%
          HA    THR  118 - HN    CYS   21  18.86 +/- 5.20   0.725% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  21.98 +/- 2.21   0.143% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  22.49 +/- 2.47   0.133% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  19.98 +/- 6.37   0.284% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  22.88 +/- 6.17   0.212% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  16.84 +/- 1.50   0.303% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  23.14 +/- 3.45   0.147% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.701, support = 5.4, residual support = 30.3:
          HB2   CYS   53 - HN    ARG+  54   3.35 +/- 0.33  60.416% * 83.3655% (0.72   5.55  31.76) =  95.211%  kept
          HD3   PRO   52 - HN    ARG+  54   5.25 +/- 0.17  16.781% * 14.4445% (0.26   2.64   1.93) =   4.582%  kept
          HD2   PRO   58 - HN    ASP-  62   6.55 +/- 0.69   9.281% *  0.7961% (0.16   0.23   0.02) =   0.140%  kept
          HD2   PRO   58 - HN    ARG+  54   7.96 +/- 1.86   8.588% *  0.3630% (0.87   0.02   0.02) =   0.059%
          HA    VAL   83 - HN    ARG+  54  19.92 +/- 3.49   0.510% *  0.3411% (0.82   0.02   0.02) =   0.003%
          HB2   CYS   53 - HN    ASP-  62  11.22 +/- 2.25   2.386% *  0.0562% (0.14   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ARG+  54  29.56 +/- 2.68   0.100% *  0.3285% (0.79   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    ASP-  62  21.58 +/- 4.00   0.477% *  0.0638% (0.15   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  27.14 +/- 2.59   0.132% *  0.1342% (0.32   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.68 +/- 1.67   0.674% *  0.0205% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.98 +/- 2.15   0.210% *  0.0615% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  19.40 +/- 3.07   0.446% *  0.0251% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.83, support = 0.412, residual support = 0.212:
          QG2   THR   46 - HN    ALA   61   7.21 +/- 2.41  31.830% * 35.4855% (0.87   0.45   0.32) =  52.111%  kept
          QG2   VAL   18 - HN    ALA   61  11.89 +/- 5.61  19.047% * 35.8632% (0.95   0.42   0.12) =  31.515%  kept
          QD2   LEU   73 - HN    ALA   61   9.45 +/- 2.93  22.478% *  9.2261% (0.25   0.41   0.02) =   9.568%  kept
          QG1   VAL   43 - HN    ALA   61  11.34 +/- 1.22   8.687% * 10.1850% (1.00   0.11   0.02) =   4.082%  kept
          QD1   ILE   19 - HN    ALA   61  13.93 +/- 3.39   7.795% *  6.1919% (0.53   0.13   0.02) =   2.227%  kept
          QG1   VAL   41 - HN    ALA   61  14.57 +/- 1.04   3.836% *  1.6812% (0.92   0.02   0.02) =   0.298%  kept
          QD2   LEU  104 - HN    ALA   61  16.01 +/- 2.25   4.327% *  0.6835% (0.38   0.02   0.02) =   0.136%  kept
          HG    LEU   31 - HN    ALA   61  18.29 +/- 2.38   2.000% *  0.6835% (0.38   0.02   0.02) =   0.063%
    Distance limit 4.71 A violated in 6 structures by 1.01 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 = 0.919, support = 5.56, residual support = 50.7:
          QB    GLU-  36 - HN    ASN   35   4.34 +/- 0.33  64.234% * 89.9034% (0.92   5.65  51.65) =  98.225%  kept
          HB3   GLU-  29 - HN    ASN   35   9.19 +/- 0.88   7.973% *  7.2289% (0.99   0.42   0.02) =   0.980%  kept
          HB2   LYS+  38 - HN    ASN   35   6.54 +/- 0.77  22.572% *  2.0099% (0.28   0.42   0.02) =   0.772%  kept
          HG3   GLU-  29 - HN    ASN   35  11.06 +/- 0.86   4.478% *  0.2501% (0.73   0.02   0.02) =   0.019%
          HB3   GLU-  79 - HN    ASN   35  23.54 +/- 3.78   0.523% *  0.2988% (0.87   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    ASN   35  31.14 +/- 4.48   0.221% *  0.3089% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 48.3:
      O   QB    MET   11 - HN    MET   11   2.74 +/- 0.41  84.352% * 99.3665% (0.69  10.0   3.00  48.35) =  99.992%  kept
          HG3   GLU-  36 - HN    MET   11  22.66 +/- 6.84   2.268% *  0.1255% (0.87   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    MET   11   9.57 +/- 2.20   7.154% *  0.0223% (0.15   1.0   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    MET   11  20.58 +/- 8.21   4.295% *  0.0286% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  12.75 +/- 1.78   1.163% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  28.24 +/- 8.58   0.265% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  29.49 +/- 6.22   0.144% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  34.28 +/- 6.71   0.061% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.28 +/- 5.66   0.198% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  34.75 +/- 8.24   0.101% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.922, support = 3.31, residual support = 48.3:
          HG2   MET   11 - HN    MET   11   3.84 +/- 0.72  87.378% * 97.3780% (0.92   3.31  48.35) =  99.933%  kept
          HB2   GLU-  14 - HN    MET   11  10.56 +/- 2.04   5.412% *  0.6025% (0.95   0.02   0.02) =   0.038%
          HG2   PRO   58 - HN    MET   11  28.86 +/- 8.51   2.074% *  0.6244% (0.98   0.02   0.02) =   0.015%
          QB    GLN   32 - HN    MET   11  18.63 +/- 5.04   1.997% *  0.1771% (0.28   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    MET   11  23.49 +/- 5.32   0.964% *  0.3100% (0.49   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    MET   11  36.00 +/- 8.38   0.356% *  0.6244% (0.98   0.02   0.02) =   0.003%
          HB    VAL   24 - HN    MET   11  21.73 +/- 6.92   1.406% *  0.1418% (0.22   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    MET   11  30.15 +/- 5.88   0.414% *  0.1418% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 48.3:
          HG3   MET   11 - HN    MET   11   3.22 +/- 0.54  89.642% * 98.0249% (0.92   3.31  48.35) =  99.953%  kept
          HB3   GLU-  14 - HN    MET   11  10.98 +/- 2.01   4.557% *  0.4901% (0.76   0.02   0.02) =   0.025%
          HB3   PRO   58 - HN    MET   11  28.35 +/- 8.55   3.227% *  0.4406% (0.69   0.02   0.02) =   0.016%
          HB3   GLN   30 - HN    MET   11  19.54 +/- 4.10   0.785% *  0.2188% (0.34   0.02   0.02) =   0.002%
          HB2   LEU   40 - HN    MET   11  22.70 +/- 4.09   0.924% *  0.0990% (0.15   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  28.11 +/- 5.50   0.312% *  0.2875% (0.45   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    MET   11  34.11 +/- 6.53   0.182% *  0.3122% (0.49   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    MET   11  23.00 +/- 3.61   0.370% *  0.1269% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  20.05 +/- 4.75  28.628% * 22.9200% (1.00   0.02   0.02) =  42.619%  kept
          HD3   LYS+  74 - HN    MET   11  23.45 +/- 7.50  19.551% * 12.0587% (0.53   0.02   0.02) =  15.313%  kept
          QG    LYS+  81 - HN    MET   11  28.79 +/- 8.25  11.972% * 19.1444% (0.84   0.02   0.02) =  14.887%  kept
          HB3   LYS+ 121 - HN    MET   11  27.50 +/- 7.85  15.948% *  8.6021% (0.38   0.02   0.02) =   8.911%  kept
          HG2   LYS+ 106 - HN    MET   11  31.91 +/- 5.97   6.960% * 17.5161% (0.76   0.02   0.02) =   7.919%  kept
          HG    LEU  104 - HN    MET   11  28.30 +/- 5.94  11.598% *  8.6021% (0.38   0.02   0.02) =   6.480%  kept
          HB3   LYS+ 111 - HN    MET   11  33.84 +/- 7.19   5.342% * 11.1564% (0.49   0.02   0.02) =   3.871%  kept
    Distance limit 4.42 A violated in 19 structures by 10.92 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.58, residual support = 11.9:
          HG2   MET   11 - HN    ALA   12   3.90 +/- 0.47  78.062% * 97.8394% (0.72   3.58  11.90) =  99.853%  kept
          HB2   GLU-  14 - HN    ALA   12   7.97 +/- 1.31  18.934% *  0.5447% (0.72   0.02   0.02) =   0.135%  kept
          HG2   PRO   58 - HN    ALA   12  27.78 +/- 6.69   1.083% *  0.5351% (0.71   0.02   0.02) =   0.008%
          HB2   PRO   68 - HN    ALA   12  21.41 +/- 5.75   1.012% *  0.1518% (0.20   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  35.16 +/- 6.54   0.161% *  0.5351% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  28.96 +/- 4.30   0.246% *  0.2244% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  32.75 +/- 6.61   0.290% *  0.0956% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  32.44 +/- 4.99   0.211% *  0.0739% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.5:
      O   QB    ALA   12 - HN    ALA   12   2.74 +/- 0.23  93.288% * 99.1918% (0.68  10.0   2.29  12.46) =  99.994%  kept
          HG3   LYS+ 102 - HN    ALA   12  28.85 +/- 8.25   2.319% *  0.0840% (0.58   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    ALA   12  17.20 +/- 5.33   1.146% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   12  22.59 +/- 4.72   0.519% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  20.40 +/- 5.15   0.442% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  20.68 +/- 5.23   0.811% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  22.68 +/- 5.97   0.319% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  22.00 +/- 3.70   0.241% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  26.44 +/- 6.78   0.347% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  31.73 +/- 6.24   0.138% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  29.37 +/- 4.89   0.131% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.52 +/- 7.88   0.196% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  28.89 +/- 4.08   0.103% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.945, support = 1.76, residual support = 5.16:
          QB    ALA   12 - HN    SER   13   2.83 +/- 0.57  90.258% * 91.5357% (0.95   1.76   5.16) =  99.899%  kept
          HG3   LYS+  33 - HN    SER   13  15.67 +/- 5.02   3.067% *  1.0389% (0.95   0.02   0.02) =   0.039%
          HG3   LYS+ 102 - HN    SER   13  27.49 +/- 7.44   2.527% *  0.8794% (0.80   0.02   0.02) =   0.027%
          HB3   LEU   73 - HN    SER   13  18.51 +/- 5.10   0.695% *  0.9173% (0.84   0.02   0.02) =   0.008%
          QB    LEU   98 - HN    SER   13  21.10 +/- 4.34   0.662% *  0.7975% (0.73   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HN    SER   13  20.62 +/- 5.30   0.423% *  0.9849% (0.90   0.02   0.02) =   0.005%
          HB    VAL   42 - HN    SER   13  20.03 +/- 3.45   0.421% *  0.9849% (0.90   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    SER   13  18.65 +/- 5.08   0.736% *  0.4924% (0.45   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    SER   13  24.79 +/- 6.10   0.441% *  0.4515% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   13  27.66 +/- 4.59   0.202% *  0.6661% (0.61   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    SER   13  30.17 +/- 5.34   0.122% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  27.01 +/- 7.58   0.300% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  27.33 +/- 3.46   0.145% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.16 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   2.99 +/- 0.71  91.992% * 95.5673% (0.45   2.46   6.63) =  99.916%  kept
          HB3   SER   37 - HN    GLU-  14  15.56 +/- 5.97   4.387% *  1.0017% (0.58   0.02   0.02) =   0.050%
          HB    THR   39 - HN    GLU-  14  16.04 +/- 5.76   2.605% *  0.8238% (0.48   0.02   0.02) =   0.024%
          HA    ILE   89 - HN    GLU-  14  31.37 +/- 5.75   0.330% *  1.0017% (0.58   0.02   0.02) =   0.004%
          HB    THR  118 - HN    GLU-  14  23.06 +/- 3.60   0.267% *  1.1966% (0.70   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    GLU-  14  28.44 +/- 8.69   0.419% *  0.4091% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.79 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 = 0.515, support = 3.74, residual support = 38.2:
          QG    GLU-  14 - HN    GLU-  14   3.74 +/- 0.52  52.305% * 68.5845% (0.53   4.07  45.21) =  83.911%  kept
          QG    GLU-  15 - HN    GLU-  14   5.43 +/- 0.96  23.928% * 27.8382% (0.42   2.08   1.74) =  15.581%  kept
          HB2   GLU-  29 - HN    GLU-  14  13.68 +/- 5.29  12.557% *  1.5893% (0.51   0.10   0.02) =   0.467%  kept
          QB    MET   11 - HN    GLU-  14   7.58 +/- 1.21   8.220% *  0.0874% (0.14   0.02   0.02) =   0.017%
          HB3   PHE   72 - HN    GLU-  14  16.13 +/- 4.36   1.298% *  0.3687% (0.58   0.02   0.02) =   0.011%
          HG12  ILE  119 - HN    GLU-  14  21.67 +/- 3.72   0.527% *  0.4376% (0.69   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    GLU-  14  20.86 +/- 4.27   0.565% *  0.3206% (0.51   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    GLU-  14  29.12 +/- 5.73   0.165% *  0.3959% (0.62   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    GLU-  14  30.04 +/- 3.96   0.138% *  0.2678% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  24.30 +/- 3.31   0.297% *  0.1101% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.87, residual support = 45.2:
      O   HB2   GLU-  14 - HN    GLU-  14   3.08 +/- 0.65  92.446% * 99.6047% (0.70  10.0   3.87  45.21) =  99.993%  kept
          HG2   MET   11 - HN    GLU-  14   9.31 +/- 1.27   5.177% *  0.0998% (0.70   1.0   0.02   0.02) =   0.006%
          HB2   PRO   68 - HN    GLU-  14  17.67 +/- 5.41   1.267% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.83 +/- 3.99   0.319% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  32.39 +/- 4.10   0.126% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  25.71 +/- 3.61   0.289% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  28.73 +/- 3.90   0.219% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  30.06 +/- 3.82   0.157% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 3.87, residual support = 45.2:
      O   HB3   GLU-  14 - HN    GLU-  14   3.40 +/- 0.22  87.676% * 99.6986% (0.62  10.0   3.87  45.21) =  99.988%  kept
          HG3   MET   11 - HN    GLU-  14   9.83 +/- 1.72   6.925% *  0.0807% (0.51   1.0   0.02   0.02) =   0.006%
          HB2   LEU   40 - HN    GLU-  14  15.97 +/- 3.67   4.525% *  0.0850% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   MET   96 - HN    GLU-  14  22.24 +/- 4.52   0.726% *  0.1109% (0.70   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    GLU-  14  29.71 +/- 3.64   0.148% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 85.3:
          QG    GLN   17 - HN    GLN   17   3.29 +/- 0.64  74.506% * 98.8357% (1.00   5.60  85.40) =  99.931%  kept
          HB    VAL   70 - HN    GLN   17  12.62 +/- 6.54   9.066% *  0.3465% (0.98   0.02   0.02) =   0.043%
          HB2   MET   96 - HN    GLN   17  18.36 +/- 5.99   2.910% *  0.2287% (0.65   0.02   0.02) =   0.009%
          HB3   ASP-  76 - HN    GLN   17  19.53 +/- 8.80  10.269% *  0.0619% (0.18   0.02   0.02) =   0.009%
          HB2   GLU-  25 - HN    GLN   17  16.44 +/- 3.30   1.251% *  0.3503% (0.99   0.02   0.02) =   0.006%
          HB2   LYS+  38 - HN    GLN   17  15.82 +/- 3.90   1.430% *  0.0983% (0.28   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    GLN   17  18.61 +/- 2.92   0.569% *  0.0787% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.38, residual support = 81.6:
      O   HB2   GLN   17 - HN    GLN   17   3.01 +/- 0.57  56.468% * 90.2366% (0.92  10.0   5.55  85.40) =  95.597%  kept
          QB    GLU-  15 - HN    GLN   17   4.12 +/- 0.62  29.411% *  7.6941% (0.92   1.0   1.71   0.02) =   4.246%  kept
          HB    ILE   19 - HN    GLN   17   7.32 +/- 0.96   4.794% *  1.6541% (0.80   1.0   0.42   0.02) =   0.149%  kept
          HB3   PRO   68 - HN    GLN   17  14.42 +/- 7.28   3.088% *  0.0553% (0.57   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLN   17  14.58 +/- 6.52   1.756% *  0.0710% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    GLN   17  16.67 +/- 4.03   0.796% *  0.0975% (1.00   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  11.27 +/- 3.35   3.348% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  22.13 +/- 2.90   0.203% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  26.83 +/- 4.07   0.137% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.27, residual support = 85.4:
      O   HB3   GLN   17 - HN    GLN   17   3.25 +/- 0.45  65.524% * 99.6298% (0.98  10.0   5.27  85.40) =  99.963%  kept
          HB2   LEU   71 - HN    GLN   17  11.45 +/- 7.82  25.400% *  0.0777% (0.76   1.0   0.02   0.02) =   0.030%
          QB    LYS+  65 - HN    GLN   17  13.97 +/- 6.28   4.007% *  0.0738% (0.73   1.0   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    GLN   17  13.67 +/- 6.25   2.542% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          HB    VAL   43 - HN    GLN   17  18.19 +/- 6.97   0.918% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  19.59 +/- 4.23   0.414% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.41 +/- 3.00   0.541% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  25.61 +/- 8.64   0.392% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  23.86 +/- 5.38   0.262% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 2.18, residual support = 8.45:
          QB    GLU-  15 - HN    GLY   16   2.74 +/- 0.63  62.536% * 39.3197% (0.98   1.94   5.45) =  74.828%  kept
          HB2   GLN   17 - HN    GLY   16   5.27 +/- 0.67  14.053% * 58.4851% (0.98   2.89  17.49) =  25.011%  kept
          HB3   PRO   68 - HN    GLY   16  14.53 +/- 7.72   7.697% *  0.3242% (0.78   0.02   0.02) =   0.076%
          HG3   GLN   30 - HN    GLY   16  11.93 +/- 3.72   6.391% *  0.1665% (0.40   0.02   0.02) =   0.032%
          HB    ILE   19 - HN    GLY   16   8.50 +/- 1.32   3.123% *  0.2292% (0.55   0.02   0.02) =   0.022%
          HG2   PRO   68 - HN    GLY   16  14.76 +/- 6.96   2.505% *  0.1971% (0.47   0.02   0.02) =   0.015%
          HB3   GLU-  25 - HN    GLY   16  17.75 +/- 3.78   0.593% *  0.3830% (0.92   0.02   0.02) =   0.007%
          HB2   GLN   30 - HN    GLY   16  11.54 +/- 3.47   2.243% *  0.0709% (0.17   0.02   0.02) =   0.005%
          QB    GLU- 114 - HN    GLY   16  22.65 +/- 2.81   0.150% *  0.2619% (0.63   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLY   16  27.52 +/- 4.06   0.086% *  0.4013% (0.97   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLY   16  18.88 +/- 3.01   0.309% *  0.0901% (0.22   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  19.65 +/- 3.04   0.314% *  0.0709% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.7, support = 5.8, residual support = 50.5:
          QG    GLN   17 - HN    VAL   18   3.20 +/- 0.69  84.889% * 98.7501% (0.70   5.81  50.48) =  99.959%  kept
          HB    VAL   70 - HN    VAL   18  12.16 +/- 6.59   4.441% *  0.3031% (0.62   0.02   0.02) =   0.016%
          HB2   GLU-  25 - HN    VAL   18  15.47 +/- 3.40   1.920% *  0.3913% (0.81   0.02   0.02) =   0.009%
          HG3   GLU-  29 - HN    VAL   18  14.34 +/- 4.09   5.049% *  0.1168% (0.24   0.02   0.02) =   0.007%
          HB2   LYS+  38 - HN    VAL   18  17.60 +/- 3.91   1.475% *  0.3218% (0.66   0.02   0.02) =   0.006%
          HB2   MET   96 - HN    VAL   18  17.22 +/- 5.94   2.225% *  0.1168% (0.24   0.02   0.02) =   0.003%
    Distance limit 4.48 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 = 76.1:
      O   HB    VAL   18 - HN    VAL   18   2.47 +/- 0.28  86.943% * 93.7408% (0.70  10.0   4.99  76.31) =  99.631%  kept
          HB    ILE   19 - HN    VAL   18   6.82 +/- 0.42   5.075% *  5.7794% (0.21   1.0   4.02  22.56) =   0.359%  kept
          HB2   LEU   67 - HN    VAL   18  12.11 +/- 8.66   5.916% *  0.1221% (0.91   1.0   0.02   0.02) =   0.009%
          HB2   LEU  115 - HN    VAL   18  19.75 +/- 4.53   0.413% *  0.1221% (0.91   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    VAL   18  14.56 +/- 5.99   1.018% *  0.0359% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  19.96 +/- 5.20   0.266% *  0.1192% (0.89   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  24.12 +/- 4.81   0.134% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  20.64 +/- 3.54   0.233% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.346, support = 5.29, residual support = 48.7:
          HB3   GLN   17 - HN    VAL   18   3.05 +/- 0.82  63.803% * 82.1056% (0.33   5.47  50.48) =  96.532%  kept
          QB    LYS+  65 - HN    VAL   18  12.14 +/- 7.22  13.070% * 13.2352% (0.87   0.34   0.02) =   3.188%  kept
          HB2   LEU   71 - HN    VAL   18  11.96 +/- 7.02   9.000% *  0.7638% (0.84   0.02   0.02) =   0.127%  kept
          HB    VAL   41 - HN    VAL   18  15.53 +/- 5.64   6.204% *  0.5696% (0.62   0.02   0.02) =   0.065%
          QB    LYS+  66 - HN    VAL   18  12.73 +/- 6.61   3.415% *  0.7355% (0.81   0.02   0.02) =   0.046%
          HG12  ILE  103 - HN    VAL   18  19.75 +/- 5.06   2.086% *  0.4286% (0.47   0.02   0.02) =   0.016%
          QB    LYS+ 102 - HN    VAL   18  19.71 +/- 4.22   0.939% *  0.8498% (0.93   0.02   0.02) =   0.015%
          HG2   PRO   93 - HN    VAL   18  21.61 +/- 5.80   0.395% *  0.8728% (0.96   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    VAL   18  17.21 +/- 4.58   0.879% *  0.2196% (0.24   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    VAL   18  25.90 +/- 5.96   0.208% *  0.2196% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.893, support = 5.15, residual support = 73.7:
          QG2   VAL   18 - HN    VAL   18   2.38 +/- 0.57  69.287% * 72.0718% (0.91   5.24  76.31) =  95.277%  kept
          QD1   ILE   19 - HN    VAL   18   5.75 +/- 1.21   9.043% * 26.8256% (0.51   3.50  22.56) =   4.628%  kept
          QG1   VAL   43 - HN    VAL   18  13.69 +/- 6.03  11.781% *  0.2904% (0.96   0.02   0.02) =   0.065%
          QG1   VAL   41 - HN    VAL   18  12.99 +/- 4.61   3.260% *  0.2687% (0.89   0.02   0.02) =   0.017%
          QD2   LEU   73 - HN    VAL   18  10.11 +/- 6.16   3.859% *  0.0726% (0.24   0.02   0.58) =   0.005%
          HG    LEU   31 - HN    VAL   18  13.19 +/- 3.41   1.644% *  0.1092% (0.36   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    VAL   18  15.52 +/- 5.92   0.603% *  0.2525% (0.84   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   18  15.89 +/- 2.86   0.523% *  0.1092% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.19, residual support = 7.54:
          QB    ALA   64 - HN    VAL   18   9.76 +/- 6.86  71.892% * 99.8579% (0.84   2.19   7.55) =  99.944%  kept
          QD1   LEU  115 - HN    VAL   18  16.01 +/- 3.75  28.108% *  0.1421% (0.13   0.02   0.02) =   0.056%
    Distance limit 4.39 A violated in 12 structures by 5.52 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.403, support = 4.07, residual support = 19.5:
          HN    PHE   59 - HN    PHE   60   2.67 +/- 0.31  51.326% * 53.6909% (0.44   4.37  20.32) =  82.629%  kept
          QE    PHE   59 - HN    PHE   60   5.18 +/- 1.17  13.189% * 21.4061% (0.28   2.72  20.32) =   8.465%  kept
          QE    PHE   59 - HN    THR  118   3.87 +/- 0.67  22.023% * 11.8444% (0.16   2.66  12.35) =   7.821%  kept
          HN    HIS  122 - HN    THR  118   6.90 +/- 0.25   3.178% * 10.5358% (0.21   1.79   5.08) =   1.004%  kept
          HH2   TRP   87 - HN    GLU-  15  28.34 +/- 8.85   4.653% *  0.4039% (0.73   0.02   0.02) =   0.056%
          HN    PHE   59 - HN    THR  118   9.19 +/- 0.58   1.443% *  0.1388% (0.25   0.02  12.35) =   0.006%
          HN    HIS  122 - HN    PHE   60  11.25 +/- 0.92   0.824% *  0.2079% (0.37   0.02   0.02) =   0.005%
          HN    HIS  122 - HN    GLU-  15  19.45 +/- 4.23   0.312% *  0.4454% (0.80   0.02   0.02) =   0.004%
          HN    LYS+  66 - HN    PHE   60   8.71 +/- 0.69   1.604% *  0.0455% (0.08   0.02   0.02) =   0.002%
          QE    PHE   59 - HN    GLU-  15  18.64 +/- 2.61   0.212% *  0.3373% (0.61   0.02   0.02) =   0.002%
          HN    PHE   59 - HN    GLU-  15  22.38 +/- 3.25   0.111% *  0.5261% (0.95   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  17.35 +/- 5.92   0.420% *  0.0974% (0.18   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  20.09 +/- 2.97   0.147% *  0.1885% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  21.19 +/- 5.30   0.170% *  0.1065% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  14.36 +/- 1.79   0.387% *  0.0257% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.39, residual support = 41.8:
          HN    ALA   61 - HN    PHE   60   2.71 +/- 0.22  89.068% * 95.1242% (0.47   5.39  41.82) =  99.959%  kept
          HN    TRP   27 - HN    GLU-  15  14.89 +/- 3.20   1.737% *  0.5779% (0.76   0.02   0.02) =   0.012%
          HE3   TRP   87 - HN    GLU-  15  30.16 +/- 8.02   1.243% *  0.6559% (0.87   0.02   0.02) =   0.010%
          HN    ALA   61 - HN    THR  118  11.31 +/- 1.45   2.219% *  0.1994% (0.26   0.02   0.02) =   0.005%
          HN    THR   39 - HN    GLU-  15  15.02 +/- 4.87   1.531% *  0.1496% (0.20   0.02   0.02) =   0.003%
          HN    ALA   61 - HN    GLU-  15  20.94 +/- 4.00   0.269% *  0.7562% (1.00   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    PHE   60  16.69 +/- 2.64   0.534% *  0.3498% (0.46   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    PHE   60  19.93 +/- 2.85   0.318% *  0.3061% (0.40   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    PHE   60  19.03 +/- 3.52   0.344% *  0.2697% (0.36   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  30.46 +/- 6.25   0.119% *  0.7495% (0.99   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  21.15 +/- 5.04   0.523% *  0.1524% (0.20   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    GLU-  15  28.62 +/- 7.59   0.411% *  0.1324% (0.18   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  21.35 +/- 3.98   0.277% *  0.1730% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  20.41 +/- 1.06   0.229% *  0.1977% (0.26   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    PHE   60  18.61 +/- 3.04   0.387% *  0.0618% (0.08   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.95 +/- 1.87   0.232% *  0.0698% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  19.85 +/- 3.57   0.306% *  0.0395% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  21.33 +/- 3.28   0.254% *  0.0349% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 72.3:
      O   HB3   PHE   60 - HN    PHE   60   2.47 +/- 0.46  87.602% * 98.9222% (0.47  10.0   4.92  72.27) =  99.992%  kept
          HB3   PHE   60 - HN    THR  118  10.15 +/- 1.95   2.282% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  14.57 +/- 2.69   1.027% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118   9.94 +/- 2.97   3.011% *  0.0294% (0.14   1.0   0.02   2.07) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  15.25 +/- 2.79   0.941% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  12.03 +/- 2.81   1.568% *  0.0529% (0.25   1.0   0.02   3.29) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  21.03 +/- 3.60   0.237% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    GLU-  15  23.05 +/- 4.48   0.225% *  0.2005% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    PHE   60  13.43 +/- 2.23   0.847% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  15  16.09 +/- 2.90   0.616% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.64 +/- 3.12   0.560% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.83 +/- 2.58   0.203% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  18.94 +/- 4.44   0.470% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.55 +/- 3.03   0.157% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  23.01 +/- 4.48   0.254% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.03, residual support = 20.3:
          HB3   PHE   59 - HN    PHE   60   2.82 +/- 0.51  93.253% * 96.9836% (0.39   4.03  20.32) =  99.974%  kept
          HB3   PHE   59 - HN    THR  118   7.76 +/- 0.56   5.267% *  0.2722% (0.22   0.02  12.35) =   0.016%
          HB3   TRP   49 - HN    PHE   60  16.34 +/- 2.85   0.817% *  0.4618% (0.37   0.02   0.02) =   0.004%
          HB3   PHE   59 - HN    GLU-  15  22.14 +/- 3.19   0.324% *  1.0321% (0.84   0.02   0.02) =   0.004%
          HB3   TRP   49 - HN    GLU-  15  31.90 +/- 5.32   0.104% *  0.9894% (0.80   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    THR  118  22.72 +/- 1.95   0.235% *  0.2609% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.74, residual support = 5.1:
        T HN    SER  117 - HN    THR  118   2.71 +/- 0.17  96.332% * 97.7507% (0.17 10.00   2.75   5.10) =  99.954%  kept
        T HN    SER  117 - HN    PHE   60   9.95 +/- 1.23   2.373% *  1.7701% (0.30 10.00   0.02   0.02) =   0.045%
          HN    GLY   16 - HN    PHE   60  19.27 +/- 4.33   0.371% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  20.88 +/- 4.35   0.501% *  0.1117% (0.19  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    THR  118  20.94 +/- 2.91   0.270% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  24.97 +/- 3.30   0.152% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.133, support = 4.44, residual support = 41.5:
          QG2   THR  118 - HN    THR  118   3.54 +/- 0.14  83.523% * 84.2551% (0.13   4.58  43.06) =  96.445%  kept
          QG2   THR  118 - HN    PHE   60   7.14 +/- 1.34  16.477% * 15.7449% (0.23   0.47   0.02) =   3.555%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.16, support = 4.48, residual support = 61.3:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.09  22.381% * 79.4237% (0.22  10.0   4.92  72.27) =  64.468%  kept
      O   HB    THR  118 - HN    THR  118   2.15 +/- 0.16  49.751% * 18.8507% (0.05  10.0   3.70  43.06) =  34.013%  kept
          QB    SER  117 - HN    THR  118   2.78 +/- 0.33  25.655% *  1.6287% (0.03   1.0   3.11   5.10) =   1.515%  kept
          HB    THR  118 - HN    PHE   60   8.41 +/- 1.24   1.102% *  0.0341% (0.09   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    THR  118   9.65 +/- 1.31   0.659% *  0.0439% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  10.60 +/- 0.92   0.452% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 4.85, residual support = 43.7:
      O   HA    THR  118 - HN    THR  118   2.85 +/- 0.04  57.848% * 71.1064% (0.14  10.0   4.87  43.06) =  93.083%  kept
          HA    ILE  119 - HN    THR  118   5.04 +/- 0.17  10.647% * 22.6773% (0.17   1.0   5.44  66.63) =   5.464%  kept
          HD3   PRO   58 - HN    PHE   60   4.41 +/- 0.90  21.781% *  2.5375% (0.06   1.0   1.72   0.02) =   1.251%  kept
          HA    ILE  119 - HN    PHE   60   7.99 +/- 0.91   3.239% *  2.4116% (0.30   1.0   0.32   0.02) =   0.177%  kept
          HA    THR  118 - HN    PHE   60  10.69 +/- 1.15   1.260% *  0.6479% (0.26   1.0   0.10   0.02) =   0.018%
          HB2   TRP   49 - HN    PHE   60  15.70 +/- 2.82   0.582% *  0.1407% (0.28   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    PHE   60  12.24 +/- 2.09   1.056% *  0.0632% (0.13   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    PHE   60  13.92 +/- 2.23   0.675% *  0.0755% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  18.21 +/- 3.39   0.384% *  0.1090% (0.22   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    THR  118  12.60 +/- 1.67   0.919% *  0.0417% (0.08   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  11.02 +/- 0.70   1.034% *  0.0163% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.12 +/- 1.95   0.134% *  0.0777% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  17.18 +/- 1.66   0.297% *  0.0349% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  21.85 +/- 2.17   0.144% *  0.0602% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.01, residual support = 20.3:
      O   HA    PHE   59 - HN    PHE   60   3.59 +/- 0.10  56.612% * 98.9248% (0.99  10.0   4.02  20.32) =  99.792%  kept
          HA    ILE   56 - HN    PHE   60   5.70 +/- 0.96  18.161% *  0.5737% (0.15   1.0   0.75   4.30) =   0.186%  kept
          HA    PHE   59 - HN    THR  118   8.19 +/- 1.01   5.416% *  0.0797% (0.80   1.0   0.02  12.35) =   0.008%
          HA    ASP- 113 - HN    THR  118   7.21 +/- 0.51   7.375% *  0.0485% (0.48   1.0   0.02   0.02) =   0.006%
          HA    ASP- 113 - HN    PHE   60  10.67 +/- 2.27   5.026% *  0.0601% (0.60   1.0   0.02   0.02) =   0.005%
          HA    ILE   56 - HN    THR  118  11.14 +/- 1.15   2.075% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  21.15 +/- 3.07   0.403% *  0.0601% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.23 +/- 2.91   0.798% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  20.82 +/- 3.40   0.382% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  31.43 +/- 7.78   0.624% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.43 +/- 1.87   0.483% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  23.08 +/- 3.07   0.258% *  0.0485% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  15.60 +/- 2.75   0.903% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  21.65 +/- 4.37   0.388% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.09 +/- 2.73   0.307% *  0.0174% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  19.12 +/- 2.92   0.456% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  27.85 +/- 3.34   0.144% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  25.73 +/- 3.83   0.189% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.38 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 4.81, residual support = 68.4:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.09  44.771% * 94.2187% (0.96  10.0   4.92  72.27) =  94.237%  kept
          QB    SER  117 - HN    THR  118   2.78 +/- 0.33  46.927% *  5.4920% (0.36   1.0   3.11   5.10) =   5.758%  kept
          HA    PHE   60 - HN    THR  118   9.65 +/- 1.31   1.407% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    PHE   60  10.60 +/- 0.92   0.936% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR  118   7.19 +/- 0.55   2.850% *  0.0138% (0.14   1.0   0.02   7.35) =   0.001%
          HB    THR   94 - HN    PHE   60  11.63 +/- 2.28   0.808% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.65 +/- 1.23   0.435% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  19.44 +/- 3.69   0.193% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.71 +/- 0.81   0.420% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.25 +/- 1.39   0.469% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  21.01 +/- 4.73   0.393% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  20.12 +/- 1.91   0.137% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  22.73 +/- 2.63   0.108% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  25.24 +/- 5.09   0.111% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  31.36 +/- 3.55   0.035% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.531, support = 3.78, residual support = 32.2:
          HG12  ILE  119 - HN    THR  118   4.75 +/- 0.76  12.104% * 54.9140% (0.72   5.43  66.63) =  44.092%  kept
          QG    GLU-  14 - HN    GLU-  15   3.15 +/- 0.73  31.507% * 13.9639% (0.36   2.72   1.74) =  29.183%  kept
          QG    GLU-  15 - HN    GLU-  15   3.31 +/- 0.77  28.499% * 11.6373% (0.32   2.61  10.10) =  21.999%  kept
          HG12  ILE  119 - HN    PHE   60   6.22 +/- 0.94   4.942% *  7.1271% (0.89   0.57   0.02) =   2.336%  kept
          HB2   ASP-  44 - HN    PHE   60   7.84 +/- 2.50   4.752% *  3.5465% (0.89   0.28   1.86) =   1.118%  kept
          HB3   PHE   72 - HN    PHE   60  10.25 +/- 3.20   3.087% *  4.6134% (0.96   0.34   8.23) =   0.945%  kept
          HB2   ASP- 105 - HN    THR  118   8.27 +/- 3.27   3.303% *  1.1453% (0.11   0.75   4.21) =   0.251%  kept
          HB2   GLU-  29 - HN    GLU-  15  14.26 +/- 4.65   4.963% *  0.0586% (0.21   0.02   0.02) =   0.019%
          HB3   PHE   72 - HN    THR  118  13.44 +/- 3.66   0.755% *  0.2178% (0.77   0.02   0.02) =   0.011%
          HB2   ASP-  44 - HN    THR  118  12.70 +/- 1.90   0.443% *  0.2024% (0.72   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    PHE   60  17.85 +/- 2.41   0.273% *  0.2775% (0.98   0.02   0.02) =   0.005%
          QB    MET   11 - HN    GLU-  15   9.92 +/- 1.67   1.523% *  0.0380% (0.13   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    PHE   60  18.73 +/- 3.16   0.242% *  0.2242% (0.79   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    PHE   60  14.25 +/- 2.42   0.460% *  0.1151% (0.41   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    GLU-  15  15.45 +/- 5.39   0.492% *  0.1075% (0.38   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    PHE   60  20.04 +/- 3.12   0.173% *  0.2585% (0.91   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    THR  118  22.03 +/- 3.32   0.214% *  0.2083% (0.74   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    THR  118  21.34 +/- 1.20   0.115% *  0.2237% (0.79   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    PHE   60  21.96 +/- 4.01   0.166% *  0.1473% (0.52   0.02   0.02) =   0.002%
          QB    MET   11 - HN    PHE   60  23.26 +/- 5.75   0.253% *  0.0955% (0.34   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    THR  118  20.16 +/- 1.92   0.133% *  0.1807% (0.64   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR  118  23.02 +/- 4.71   0.188% *  0.1187% (0.42   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    THR  118  16.41 +/- 1.74   0.233% *  0.0928% (0.33   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    PHE   60  13.64 +/- 1.94   0.492% *  0.0379% (0.13   0.02   0.02) =   0.001%
          QB    MET   11 - HN    THR  118  25.36 +/- 6.04   0.219% *  0.0770% (0.27   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLU-  15  20.36 +/- 5.00   0.141% *  0.0999% (0.35   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  20.76 +/- 2.92   0.129% *  0.0999% (0.35   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  29.07 +/- 6.50   0.082% *  0.1104% (0.39   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  15  29.62 +/- 4.58   0.043% *  0.0458% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.42 +/- 2.67   0.076% *  0.0151% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.174, support = 1.68, residual support = 8.4:
      O   QB    GLU-  15 - HN    GLU-  15   2.91 +/- 0.42  43.231% * 44.6343% (0.06  10.0   1.86  10.10) =  83.089%  kept
          HG3   PRO   58 - HN    PHE   60   6.23 +/- 0.86   7.469% * 31.3217% (0.89   1.0   0.89   0.02) =  10.073%  kept
          QB    GLU- 114 - HN    THR  118   5.59 +/- 0.95   9.163% * 14.3230% (0.48   1.0   0.75   0.02) =   5.652%  kept
          HB2   LEU  115 - HN    THR  118   5.65 +/- 0.38   6.814% *  2.3042% (0.69   1.0   0.08   0.02) =   0.676%  kept
          HB2   LEU  115 - HN    PHE   60   7.16 +/- 1.15   5.477% *  0.6778% (0.86   1.0   0.02   0.02) =   0.160%  kept
          HB2   GLN   17 - HN    GLU-  15   5.71 +/- 1.43  12.576% *  0.2833% (0.06   1.0   0.12   0.02) =   0.153%  kept
          QB    GLU- 114 - HN    PHE   60  10.58 +/- 1.07   1.234% *  0.4739% (0.60   1.0   0.02   0.02) =   0.025%
          HB    ILE   19 - HN    THR  118  19.00 +/- 4.53   1.188% *  0.4326% (0.55   1.0   0.02   0.02) =   0.022%
          HB2   LEU   67 - HN    PHE   60  10.54 +/- 1.57   1.303% *  0.3803% (0.48   1.0   0.02   0.02) =   0.021%
          HB    ILE   19 - HN    PHE   60  16.52 +/- 3.72   0.889% *  0.5367% (0.68   1.0   0.02   0.02) =   0.021%
          HG3   PRO   58 - HN    THR  118  11.94 +/- 1.31   0.808% *  0.5648% (0.72   1.0   0.02   0.02) =   0.020%
          HB    ILE   19 - HN    GLU-  15   9.49 +/- 1.51   1.780% *  0.2135% (0.27   1.0   0.02   0.02) =   0.016%
          HG2   PRO   68 - HN    PHE   60  13.13 +/- 1.80   0.623% *  0.5972% (0.76   1.0   0.02   0.02) =   0.016%
          HG2   PRO   68 - HN    THR  118  15.99 +/- 3.51   0.443% *  0.4813% (0.61   1.0   0.02   0.02) =   0.009%
          HG2   PRO   68 - HN    GLU-  15  16.85 +/- 5.89   0.685% *  0.2375% (0.30   1.0   0.02   0.02) =   0.007%
          HB2   LEU   67 - HN    GLU-  15  15.94 +/- 6.96   0.994% *  0.1513% (0.19   1.0   0.02   0.02) =   0.006%
          HB2   LEU   67 - HN    THR  118  14.82 +/- 2.20   0.471% *  0.3065% (0.39   1.0   0.02   0.02) =   0.006%
          HB    VAL   18 - HN    PHE   60  15.23 +/- 6.00   0.685% *  0.1948% (0.25   1.0   0.02   0.02) =   0.006%
          HB    VAL   18 - HN    GLU-  15  10.20 +/- 1.07   1.302% *  0.0775% (0.10   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLU-  15  17.56 +/- 5.14   0.848% *  0.0864% (0.11   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    THR  118  25.25 +/- 6.25   0.327% *  0.1751% (0.22   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    THR  118  18.00 +/- 4.01   0.287% *  0.1570% (0.20   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    PHE   60  18.06 +/- 4.63   0.324% *  0.1206% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    PHE   60  18.69 +/- 3.17   0.255% *  0.1206% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  24.67 +/- 3.22   0.111% *  0.2696% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLU-  15  24.69 +/- 3.66   0.094% *  0.2787% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    PHE   60  23.32 +/- 4.13   0.117% *  0.2173% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  20.66 +/- 4.02   0.250% *  0.0972% (0.12   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  24.78 +/- 2.41   0.089% *  0.1885% (0.24   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  20.31 +/- 2.37   0.162% *  0.0972% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.102, support = 2.07, residual support = 4.15:
          QG1   ILE   56 - HN    PHE   60   3.58 +/- 1.02  45.551% * 44.7972% (0.09   2.15   4.30) =  96.231%  kept
          HG3   PRO   93 - HN    PHE   60   9.68 +/- 2.83   9.947% *  1.6072% (0.36   0.02   0.02) =   0.754%  kept
          QD    LYS+ 106 - HN    PHE   60  14.52 +/- 2.91   6.456% *  1.7566% (0.39   0.02   0.02) =   0.535%  kept
          HB2   LEU   73 - HN    GLU-  15  16.43 +/- 6.46   1.829% *  4.3487% (0.97   0.02   0.02) =   0.375%  kept
          HB2   LEU   73 - HN    PHE   60  12.48 +/- 3.33   2.797% *  2.0296% (0.45   0.02   2.78) =   0.268%  kept
          QD    LYS+ 106 - HN    THR  118  11.51 +/- 2.64   4.088% *  0.9926% (0.22   0.02   3.29) =   0.191%  kept
          HB2   LEU  123 - HN    THR  118   9.19 +/- 0.91   4.219% *  0.9516% (0.21   0.02   0.02) =   0.189%  kept
          HB3   MET   92 - HN    PHE   60  13.17 +/- 2.19   1.628% *  2.1030% (0.47   0.02   0.02) =   0.161%  kept
          HD2   LYS+ 111 - HN    THR  118  11.15 +/- 1.41   2.431% *  1.1649% (0.26   0.02   0.02) =   0.134%  kept
          HB2   LEU  123 - HN    PHE   60  13.29 +/- 1.07   1.515% *  1.6840% (0.37   0.02   0.02) =   0.120%  kept
          HD2   LYS+ 111 - HN    PHE   60  14.08 +/- 1.26   1.104% *  2.0614% (0.46   0.02   0.02) =   0.107%  kept
          QD    LYS+  99 - HN    GLU-  15  17.51 +/- 2.88   0.628% *  3.6082% (0.80   0.02   0.02) =   0.107%  kept
          HB2   LEU   73 - HN    THR  118  16.45 +/- 4.70   1.804% *  1.1469% (0.25   0.02   0.02) =   0.098%
          HB2   LEU  123 - HN    GLU-  15  20.59 +/- 4.89   0.496% *  3.6082% (0.80   0.02   0.02) =   0.084%
          QD    LYS+  99 - HN    PHE   60  17.02 +/- 2.31   0.943% *  1.6840% (0.37   0.02   0.02) =   0.075%
          QG1   ILE   56 - HN    THR  118   8.16 +/- 1.16   6.379% *  0.2352% (0.05   0.02   0.02) =   0.071%
          QD    LYS+ 106 - HN    GLU-  15  23.08 +/- 3.96   0.389% *  3.7638% (0.84   0.02   0.02) =   0.069%
          QD    LYS+ 102 - HN    GLU-  15  22.38 +/- 5.01   0.477% *  2.5511% (0.57   0.02   0.02) =   0.057%
          QD    LYS+  99 - HN    THR  118  14.27 +/- 2.51   1.251% *  0.9516% (0.21   0.02   0.02) =   0.056%
          QD    LYS+  38 - HN    GLU-  15  15.48 +/- 3.37   1.157% *  1.0032% (0.22   0.02   0.02) =   0.055%
          HG3   PRO   93 - HN    THR  118  13.63 +/- 1.65   1.193% *  0.9082% (0.20   0.02   0.02) =   0.051%
          HB3   MET   92 - HN    THR  118  15.46 +/- 1.46   0.875% *  1.1884% (0.26   0.02   0.02) =   0.049%
          HB3   MET   92 - HN    GLU-  15  28.78 +/- 4.63   0.166% *  4.5061% (1.00   0.02   0.02) =   0.035%
          HG3   PRO   93 - HN    GLU-  15  26.78 +/- 4.36   0.190% *  3.4437% (0.76   0.02   0.02) =   0.031%
          QD    LYS+ 102 - HN    PHE   60  20.90 +/- 2.12   0.411% *  1.1906% (0.26   0.02   0.02) =   0.023%
          QD    LYS+ 102 - HN    THR  118  17.61 +/- 3.04   0.664% *  0.6728% (0.15   0.02   0.02) =   0.021%
          HD2   LYS+ 111 - HN    GLU-  15  31.41 +/- 3.41   0.099% *  4.4168% (0.98   0.02   0.02) =   0.021%
          QG1   ILE   56 - HN    GLU-  15  21.63 +/- 2.90   0.384% *  0.8917% (0.20   0.02   0.02) =   0.016%
          QD    LYS+  38 - HN    PHE   60  20.45 +/- 3.42   0.427% *  0.4682% (0.10   0.02   0.02) =   0.009%
          QD    LYS+  38 - HN    THR  118  20.15 +/- 4.77   0.503% *  0.2646% (0.06   0.02   0.02) =   0.006%
    Distance limit 4.38 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.248, support = 2.63, residual support = 40.9:
          QB    ALA   61 - HN    PHE   60   4.24 +/- 0.25  32.932% * 72.7454% (0.25   2.69  41.82) =  97.804%  kept
          HG12  ILE   19 - HN    GLU-  15   8.40 +/- 1.91   8.953% *  1.8422% (0.84   0.02   0.02) =   0.673%  kept
          HD3   LYS+ 121 - HN    THR  118   7.00 +/- 1.36  10.492% *  0.5370% (0.24   0.02   7.35) =   0.230%  kept
          QB    ALA   12 - HN    GLU-  15   7.77 +/- 0.58   5.596% *  0.8278% (0.38   0.02   0.02) =   0.189%  kept
          QB    ALA  110 - HN    PHE   60   9.76 +/- 1.88   4.477% *  0.7867% (0.36   0.02   0.02) =   0.144%  kept
          HB3   LYS+  74 - HN    PHE   60  11.52 +/- 2.68   2.909% *  0.9231% (0.42   0.02   0.02) =   0.110%  kept
          HB3   LYS+  74 - HN    GLU-  15  17.00 +/- 5.55   0.865% *  1.9780% (0.90   0.02   0.02) =   0.070%
          QB    ALA   61 - HN    THR  118  11.09 +/- 1.62   5.442% *  0.3060% (0.14   0.02   0.02) =   0.068%
          HB3   LEU   67 - HN    GLU-  15  16.24 +/- 7.22   1.853% *  0.8278% (0.38   0.02   0.02) =   0.063%
          QB    ALA  110 - HN    THR  118   9.71 +/- 1.33   3.183% *  0.4445% (0.20   0.02   0.02) =   0.058%
          QB    LEU   98 - HN    GLU-  15  18.31 +/- 3.82   0.915% *  1.4268% (0.65   0.02   0.02) =   0.053%
          HG    LEU   80 - HN    GLU-  15  25.44 +/- 9.37   0.772% *  1.6016% (0.73   0.02   0.02) =   0.050%
          HB2   LEU   80 - HN    GLU-  15  25.39 +/- 8.61   0.522% *  2.1860% (0.99   0.02   0.02) =   0.047%
          HG12  ILE   19 - HN    PHE   60  17.17 +/- 3.91   1.210% *  0.8598% (0.39   0.02   0.02) =   0.042%
          HB3   LEU   67 - HN    PHE   60  10.65 +/- 1.52   2.612% *  0.3863% (0.18   0.02   0.02) =   0.041%
          HD3   LYS+ 121 - HN    PHE   60  13.87 +/- 1.16   1.010% *  0.9502% (0.43   0.02   0.02) =   0.039%
          HD3   LYS+ 121 - HN    GLU-  15  21.49 +/- 4.67   0.456% *  2.0360% (0.92   0.02   0.02) =   0.038%
          QG    LYS+  66 - HN    PHE   60   9.46 +/- 1.40   3.959% *  0.2292% (0.10   0.02   0.02) =   0.037%
          QG    LYS+  66 - HN    GLU-  15  16.43 +/- 5.77   1.588% *  0.4910% (0.22   0.02   0.02) =   0.032%
          QB    ALA   61 - HN    GLU-  15  17.76 +/- 3.97   0.648% *  1.1604% (0.53   0.02   0.02) =   0.031%
          HB2   LEU   80 - HN    PHE   60  18.10 +/- 3.45   0.614% *  1.0202% (0.46   0.02   0.02) =   0.026%
          QB    LEU   98 - HN    PHE   60  15.00 +/- 1.38   0.799% *  0.6659% (0.30   0.02   0.02) =   0.022%
          QB    LEU   98 - HN    THR  118  13.41 +/- 2.38   1.319% *  0.3763% (0.17   0.02   0.02) =   0.020%
          HB3   LYS+  74 - HN    THR  118  17.15 +/- 3.92   0.948% *  0.5217% (0.24   0.02   0.02) =   0.020%
          HG    LEU   80 - HN    PHE   60  18.85 +/- 3.92   0.553% *  0.7475% (0.34   0.02   0.02) =   0.017%
          HG12  ILE   19 - HN    THR  118  19.44 +/- 4.48   0.822% *  0.4859% (0.22   0.02   0.02) =   0.016%
          QB    ALA  110 - HN    GLU-  15  24.18 +/- 2.92   0.209% *  1.6855% (0.76   0.02   0.02) =   0.014%
          QB    ALA   12 - HN    PHE   60  21.24 +/- 4.24   0.861% *  0.3863% (0.18   0.02   0.02) =   0.014%
          HB3   LEU   67 - HN    THR  118  14.86 +/- 2.58   1.049% *  0.2183% (0.10   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    THR  118  13.73 +/- 2.60   1.400% *  0.1295% (0.06   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    THR  118  22.67 +/- 3.54   0.286% *  0.5765% (0.26   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    THR  118  23.07 +/- 4.68   0.309% *  0.4224% (0.19   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    THR  118  23.25 +/- 4.75   0.437% *  0.2183% (0.10   0.02   0.02) =   0.004%
    Distance limit 4.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.66, residual support = 24.9:
      O   QB    ALA   34 - HN    ALA   34   2.07 +/- 0.09  80.753% * 97.8230% (0.89  10.0   3.67  24.95) =  99.895%  kept
          QG2   THR   77 - HN    LEU   80   6.12 +/- 1.25   5.173% *  1.4862% (0.20   1.0   1.37   0.61) =   0.097%
          QG2   THR   39 - HN    ALA   34   6.79 +/- 1.83   5.481% *  0.0303% (0.28   1.0   0.02   5.13) =   0.002%
          QG2   THR   23 - HN    LEU   80  15.12 +/- 6.98   1.511% *  0.0968% (0.89   1.0   0.02   0.25) =   0.002%
          QB    ALA   91 - HN    LEU   80   9.73 +/- 2.84   4.406% *  0.0272% (0.25   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ALA   34   8.85 +/- 1.06   1.332% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  13.05 +/- 1.06   0.350% *  0.1081% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.40 +/- 2.60   0.319% *  0.0709% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.95 +/- 3.54   0.164% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.27 +/- 1.65   0.096% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.43 +/- 2.77   0.138% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.91 +/- 2.12   0.139% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  22.10 +/- 3.47   0.099% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.91 +/- 2.86   0.040% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.561, support = 3.53, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  71.991% * 75.4192% (0.56  10.0   3.47  24.95) =  95.250%  kept
          HA    LYS+  81 - HN    LEU   80   4.68 +/- 0.31  15.214% * 15.7678% (0.47   1.0   5.02  41.33) =   4.208%  kept
          HA    GLU-  36 - HN    ALA   34   7.02 +/- 0.12   4.333% *  4.2860% (0.41   1.0   1.57   0.27) =   0.326%  kept
          HA    ASN   28 - HN    ALA   34   7.68 +/- 0.54   3.466% *  3.4273% (0.76   1.0   0.67   0.02) =   0.208%  kept
          HA    ARG+  54 - HN    LEU   80  18.12 +/- 3.16   1.025% *  0.1170% (0.88   1.0   0.02   0.02) =   0.002%
          HA    ALA  124 - HN    ALA   34  20.00 +/- 7.39   0.773% *  0.1230% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  18.84 +/- 7.06   0.675% *  0.0912% (0.68   1.0   0.02   0.70) =   0.001%
          HA1   GLY  101 - HN    ALA   34  12.39 +/- 2.50   1.208% *  0.0500% (0.37   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ALA   34  20.96 +/- 2.08   0.182% *  0.0967% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.32 +/- 2.00   0.195% *  0.0866% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.03 +/- 2.85   0.087% *  0.1306% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  23.01 +/- 4.17   0.165% *  0.0676% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  25.47 +/- 5.27   0.131% *  0.0701% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  24.74 +/- 5.26   0.164% *  0.0448% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.82 +/- 3.52   0.058% *  0.1101% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  24.17 +/- 2.64   0.121% *  0.0332% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.99 +/- 3.83   0.081% *  0.0491% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.63 +/- 2.72   0.131% *  0.0298% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.96, support = 7.12, residual support = 37.9:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.04  40.430% * 80.8307% (0.99  10.0   7.37  40.78) =  92.752%  kept
          HA    GLN   32 - HN    ALA   34   4.38 +/- 0.41  22.941% *  6.7686% (0.34   1.0   4.87   0.69) =   4.407%  kept
          HA    GLU-  29 - HN    ALA   34   6.63 +/- 0.96   9.216% *  9.6050% (0.99   1.0   2.38   0.65) =   2.512%  kept
          HB2   SER   82 - HN    LEU   80   7.17 +/- 0.72   5.508% *  1.9402% (0.85   1.0   0.56   0.41) =   0.303%  kept
          HA    VAL   70 - HN    ALA   34  10.54 +/- 3.02   4.976% *  0.0653% (0.80   1.0   0.02   0.02) =   0.009%
          HA    VAL   18 - HN    ALA   34  12.19 +/- 2.24   1.819% *  0.0799% (0.98   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    ALA   34   6.87 +/- 1.25   8.297% *  0.0143% (0.17   1.0   0.02   0.11) =   0.003%
          HA    SER   48 - HN    LEU   80  12.45 +/- 4.15   2.036% *  0.0443% (0.54   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  20.04 +/- 9.37   0.681% *  0.0716% (0.88   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  11.76 +/- 1.39   1.308% *  0.0274% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  22.52 +/- 7.13   0.357% *  0.0724% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  25.14 +/- 7.53   0.282% *  0.0771% (0.94   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  21.65 +/- 2.93   0.235% *  0.0653% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  20.13 +/- 1.94   0.246% *  0.0585% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  25.42 +/- 5.43   0.166% *  0.0724% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  22.45 +/- 2.46   0.190% *  0.0585% (0.72   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.23 +/- 3.58   0.595% *  0.0145% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.56 +/- 4.10   0.157% *  0.0495% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  24.09 +/- 6.06   0.224% *  0.0249% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  28.61 +/- 4.78   0.107% *  0.0306% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.50 +/- 3.18   0.146% *  0.0128% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.63 +/- 2.09   0.081% *  0.0161% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.755, support = 5.58, residual support = 39.5:
          HG3   LYS+  33 - HN    ALA   34   2.81 +/- 0.72  61.409% * 83.5313% (0.76   5.73  40.78) =  96.907%  kept
          QB    ALA   84 - HN    LEU   80   5.25 +/- 0.92  15.543% * 10.2331% (0.54   0.99   0.02) =   3.005%  kept
          HG3   LYS+ 102 - HN    ALA   34  15.29 +/- 2.86   1.520% *  0.3523% (0.92   0.02   0.02) =   0.010%
          HB    VAL   42 - HN    ALA   34  11.33 +/- 1.72   1.563% *  0.3188% (0.83   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    ALA   34  15.13 +/- 3.97   3.363% *  0.1432% (0.37   0.02   0.02) =   0.009%
          HG    LEU   98 - HN    ALA   34  11.58 +/- 2.45   2.438% *  0.1858% (0.49   0.02   0.02) =   0.009%
          HB3   LEU   73 - HN    ALA   34  12.55 +/- 4.04   1.124% *  0.3423% (0.89   0.02   0.02) =   0.007%
          HB3   LEU   73 - HN    LEU   80  13.49 +/- 2.50   1.165% *  0.3066% (0.80   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    LEU   80  18.55 +/- 4.98   0.848% *  0.2855% (0.75   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LEU   80  13.34 +/- 2.19   0.873% *  0.2212% (0.58   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ALA   34  17.32 +/- 6.48   1.172% *  0.1432% (0.37   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   34  17.66 +/- 1.89   0.361% *  0.3808% (1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ALA   34  10.31 +/- 1.54   2.052% *  0.0668% (0.17   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  16.68 +/- 1.94   0.420% *  0.2855% (0.75   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LEU   80  19.41 +/- 3.58   0.338% *  0.3411% (0.89   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    ALA   34  19.39 +/- 2.77   0.330% *  0.3188% (0.83   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  12.74 +/- 2.16   1.192% *  0.0852% (0.22   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   80  19.74 +/- 4.13   0.434% *  0.1664% (0.44   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   80  21.27 +/- 3.70   0.206% *  0.3299% (0.86   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   80  23.32 +/- 5.85   0.248% *  0.2613% (0.68   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  23.41 +/- 6.98   0.488% *  0.1283% (0.34   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   80  25.02 +/- 4.45   0.175% *  0.3156% (0.82   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    ALA   34  21.68 +/- 3.96   0.225% *  0.2315% (0.61   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.09 +/- 2.71   0.186% *  0.2469% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  16.44 +/- 2.58   0.678% *  0.0668% (0.17   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  26.15 +/- 2.66   0.118% *  0.3683% (0.96   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  17.52 +/- 2.09   0.385% *  0.0952% (0.25   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  17.03 +/- 3.12   0.571% *  0.0599% (0.16   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  17.84 +/- 3.33   0.464% *  0.0599% (0.16   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  26.38 +/- 3.16   0.113% *  0.1283% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.73, support = 5.37, residual support = 37.9:
          QB    LYS+  33 - HN    ALA   34   3.34 +/- 0.36  51.935% * 43.1590% (0.72   5.93  40.78) =  72.758%  kept
          QB    LYS+  81 - HN    LEU   80   5.26 +/- 0.57  16.523% * 34.4227% (0.78   4.42  41.33) =  18.462%  kept
          HB3   GLN   30 - HN    ALA   34   5.69 +/- 0.87  13.761% * 19.4879% (0.69   2.83   7.23) =   8.705%  kept
          HB3   LYS+  38 - HN    ALA   34   8.58 +/- 0.92   4.265% *  0.1740% (0.87   0.02   0.02) =   0.024%
          HB3   GLN   90 - HN    LEU   80  12.10 +/- 1.89   1.502% *  0.1438% (0.72   0.02   0.02) =   0.007%
          HB    ILE  103 - HN    ALA   34  15.21 +/- 2.89   2.035% *  0.1055% (0.52   0.02   0.02) =   0.007%
          HB2   MET   92 - HN    LEU   80  13.23 +/- 3.62   1.907% *  0.0945% (0.47   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HN    LEU   80  19.04 +/- 3.40   1.177% *  0.1017% (0.51   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    LEU   80  18.71 +/- 6.49   0.870% *  0.1234% (0.61   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  16.13 +/- 3.92   1.073% *  0.0976% (0.49   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU   80  18.28 +/- 2.81   0.600% *  0.1734% (0.86   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU   80  17.22 +/- 3.02   0.522% *  0.1611% (0.80   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  17.19 +/- 1.42   0.453% *  0.1799% (0.89   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ALA   34  15.96 +/- 2.40   0.652% *  0.1216% (0.61   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU   80  21.74 +/- 5.06   0.344% *  0.1304% (0.65   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   34  23.58 +/- 5.35   0.242% *  0.1740% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.53 +/- 2.25   0.159% *  0.1935% (0.96   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  21.50 +/- 4.68   0.495% *  0.0613% (0.30   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LEU   80  21.16 +/- 3.69   0.284% *  0.0945% (0.47   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.52 +/- 3.80   0.290% *  0.0874% (0.44   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  22.33 +/- 2.60   0.215% *  0.1089% (0.54   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  25.82 +/- 2.61   0.132% *  0.1558% (0.78   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  29.17 +/- 4.25   0.120% *  0.1606% (0.80   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  25.83 +/- 3.02   0.157% *  0.1055% (0.52   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  23.95 +/- 3.09   0.188% *  0.0684% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.80 +/- 3.01   0.102% *  0.1135% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.537, support = 7.09, residual support = 79.0:
      O   HA    LEU   80 - HN    LEU   80   2.77 +/- 0.26  70.506% * 75.3636% (0.50  10.0   7.46  86.01) =  91.064%  kept
          HA    ASP-  78 - HN    LEU   80   4.59 +/- 1.00  21.625% * 24.0772% (0.94   1.0   3.37   7.12) =   8.923%  kept
          HA    THR   23 - HN    LEU   80  15.96 +/- 8.69   4.109% *  0.1285% (0.85   1.0   0.02   0.25) =   0.009%
          HB    THR   23 - HN    LEU   80  17.76 +/- 8.66   1.928% *  0.0538% (0.36   1.0   0.02   0.25) =   0.002%
          HA    THR   23 - HN    ALA   34  15.28 +/- 0.78   0.454% *  0.1062% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  15.13 +/- 1.26   0.504% *  0.0445% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  23.07 +/- 6.33   0.226% *  0.0623% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.82 +/- 3.28   0.119% *  0.1182% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  17.37 +/- 2.18   0.363% *  0.0207% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  22.55 +/- 3.19   0.166% *  0.0251% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.755, support = 5.59, residual support = 49.0:
      O   HA    GLU-  79 - HN    LEU   80   3.51 +/- 0.25  66.173% * 96.4125% (0.76  10.0   5.62  49.34) =  99.393%  kept
          HB    THR   77 - HN    LEU   80   6.67 +/- 1.41  14.865% *  2.5393% (0.29   1.0   1.37   0.61) =   0.588%  kept
          HA    THR   39 - HN    ALA   34   8.10 +/- 0.90   6.215% *  0.0864% (0.68   1.0   0.02   5.13) =   0.008%
          HA    ALA   57 - HN    LEU   80  17.69 +/- 4.44   1.436% *  0.1180% (0.93   1.0   0.02   0.02) =   0.003%
          HA    SER   85 - HN    LEU   80  10.36 +/- 0.98   3.035% *  0.0372% (0.29   1.0   0.02   0.02) =   0.002%
          HA1   GLY   51 - HN    LEU   80  17.74 +/- 3.21   0.786% *  0.1139% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  12.41 +/- 2.12   2.007% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  13.51 +/- 1.77   1.326% *  0.0409% (0.32   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU   80  22.31 +/- 2.43   0.291% *  0.1044% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  23.18 +/- 2.67   0.276% *  0.0976% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  22.77 +/- 4.07   0.308% *  0.0797% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  21.15 +/- 3.69   0.414% *  0.0495% (0.39   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.64 +/- 4.66   0.765% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  17.17 +/- 2.08   0.643% *  0.0248% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  22.31 +/- 4.05   0.392% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.71 +/- 2.03   0.105% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.76 +/- 2.85   0.290% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  28.92 +/- 8.25   0.303% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  25.39 +/- 2.57   0.201% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  28.15 +/- 5.23   0.170% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.781, support = 5.37, residual support = 43.1:
          HB3   GLU-  79 - HN    LEU   80   3.37 +/- 0.74  56.910% * 57.8395% (0.79   5.92  49.34) =  87.324%  kept
          QB    GLU-  36 - HN    ALA   34   5.37 +/- 0.61  19.001% * 13.4297% (0.70   1.55   0.27) =   6.769%  kept
          HB3   GLU-  29 - HN    ALA   34   7.50 +/- 1.25  10.651% * 16.7165% (0.78   1.73   0.65) =   4.723%  kept
          HG3   GLU-  29 - HN    ALA   34   9.46 +/- 1.18   4.065% * 10.7043% (0.60   1.45   0.65) =   1.154%  kept
          HB2   GLN   90 - HN    LEU   80  11.81 +/- 1.97   2.111% *  0.2159% (0.87   0.02   0.02) =   0.012%
          HB2   LYS+  38 - HN    ALA   34   8.19 +/- 0.80   5.533% *  0.0597% (0.24   0.02   0.02) =   0.009%
          HB3   GLU-  29 - HN    LEU   80  22.81 +/- 7.47   0.411% *  0.2334% (0.94   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    LEU   80  22.55 +/- 7.68   0.446% *  0.1788% (0.72   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ALA   34  21.76 +/- 4.33   0.345% *  0.1616% (0.65   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.99 +/- 3.57   0.229% *  0.2098% (0.85   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  29.39 +/- 4.59   0.147% *  0.1785% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  26.66 +/- 2.65   0.152% *  0.0722% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.73, residual support = 21.0:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.07  97.169% * 98.7794% (0.80 10.00   4.73  21.05) =  99.996%  kept
        T HN    ASN   35 - HN    LEU   80  24.37 +/- 4.62   0.198% *  0.8847% (0.72 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    ALA   34  18.05 +/- 4.57   0.863% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  28.13 +/- 7.88   0.217% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.78 +/- 1.35   0.683% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.12 +/- 2.98   0.447% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.01 +/- 2.39   0.253% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  23.17 +/- 1.88   0.169% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.891, support = 5.33, residual support = 41.3:
          HN    LYS+  81 - HN    LEU   80   3.64 +/- 0.55  77.841% * 95.4897% (0.89   5.33  41.33) =  99.856%  kept
          HE3   TRP   27 - HN    LEU   80  15.99 +/- 6.56   2.647% *  3.0453% (0.20   0.76   3.83) =   0.108%  kept
          HE3   TRP   27 - HN    ALA   34   7.88 +/- 0.77  11.029% *  0.0892% (0.22   0.02   0.02) =   0.013%
          QD    PHE   60 - HN    LEU   80  13.84 +/- 2.84   2.135% *  0.2874% (0.72   0.02   0.02) =   0.008%
          QD    PHE   60 - HN    ALA   34  16.46 +/- 2.20   1.359% *  0.3209% (0.80   0.02   0.02) =   0.006%
          HN    LYS+  66 - HN    LEU   80  19.21 +/- 3.61   2.163% *  0.1108% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    ALA   34  24.65 +/- 5.96   0.341% *  0.3999% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  17.72 +/- 2.54   1.074% *  0.1237% (0.31   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    LEU   80  18.15 +/- 2.86   1.112% *  0.0629% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  25.34 +/- 1.59   0.300% *  0.0702% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.765, support = 3.34, residual support = 6.32:
          HA    GLN   30 - HN    ALA   34   4.27 +/- 1.16  39.301% * 59.1747% (0.80   3.83   7.23) =  81.468%  kept
          HB    THR   39 - HN    ALA   34   7.87 +/- 1.88  12.702% * 17.5335% (0.61   1.50   5.13) =   7.802%  kept
          HB3   SER   37 - HN    ALA   34   6.79 +/- 1.33  13.771% * 11.5259% (0.45   1.33   0.11) =   5.560%  kept
          HB3   SER   82 - HN    LEU   80   6.68 +/- 0.89  16.056% *  8.9485% (0.82   0.56   0.41) =   5.033%  kept
          QB    SER   13 - HN    ALA   34  13.21 +/- 4.11   8.731% *  0.2493% (0.65   0.02   0.02) =   0.076%
          HA    ILE   89 - HN    LEU   80  11.36 +/- 1.57   3.138% *  0.1548% (0.40   0.02   0.02) =   0.017%
          HD3   PRO   52 - HN    LEU   80  17.18 +/- 3.70   1.108% *  0.2995% (0.78   0.02   0.02) =   0.012%
          HA    GLN   30 - HN    LEU   80  21.30 +/- 6.37   0.729% *  0.2764% (0.72   0.02   0.02) =   0.007%
          HB3   SER   82 - HN    ALA   34  24.69 +/- 7.35   0.513% *  0.3558% (0.92   0.02   0.02) =   0.006%
          HB2   CYS   53 - HN    LEU   80  15.77 +/- 2.78   1.346% *  0.1296% (0.34   0.02   0.02) =   0.006%
          QB    SER   13 - HN    LEU   80  23.56 +/- 6.28   0.398% *  0.2233% (0.58   0.02   0.02) =   0.003%
          HB    THR   39 - HN    LEU   80  22.56 +/- 3.01   0.336% *  0.2094% (0.54   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    ALA   34  30.12 +/- 2.04   0.131% *  0.3343% (0.87   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    LEU   80  25.04 +/- 3.25   0.256% *  0.1548% (0.40   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    ALA   34  27.10 +/- 4.10   0.225% *  0.1728% (0.45   0.02   0.02) =   0.001%
          HB    THR  118 - HN    ALA   34  19.09 +/- 3.25   0.648% *  0.0595% (0.15   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ALA   34  26.02 +/- 2.02   0.204% *  0.1447% (0.37   0.02   0.02) =   0.001%
          HB    THR  118 - HN    LEU   80  21.02 +/- 2.31   0.407% *  0.0533% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.746, support = 3.64, residual support = 14.4:
          HA    LEU   31 - HN    ALA   34   3.26 +/- 0.56  63.880% * 92.6423% (0.76   3.76  14.95) =  96.158%  kept
          HA    THR   77 - HN    LEU   80   5.03 +/- 1.57  35.383% *  6.6750% (0.34   0.62   0.61) =   3.838%  kept
          HA    LEU   31 - HN    LEU   80  20.46 +/- 5.44   0.464% *  0.4409% (0.68   0.02   0.02) =   0.003%
          HA    THR   77 - HN    ALA   34  21.27 +/- 3.05   0.274% *  0.2417% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.398, support = 3.33, residual support = 7.09:
          HA    ASP-  78 - HN    LEU   80   4.59 +/- 1.00  54.206% * 91.6134% (0.40   3.37   7.12) =  98.674%  kept
          HA    VAL   41 - HN    ALA   34   9.37 +/- 2.55   9.692% *  5.2954% (0.17   0.45   6.90) =   1.020%  kept
          HA    PHE   45 - HN    LEU   80   9.45 +/- 2.99  10.337% *  0.8332% (0.61   0.02   0.02) =   0.171%  kept
          HA    THR   23 - HN    LEU   80  15.96 +/- 8.69  22.267% *  0.2401% (0.18   0.02   0.25) =   0.106%  kept
          HA    PHE   45 - HN    ALA   34  19.70 +/- 2.73   0.695% *  0.9303% (0.69   0.02   0.02) =   0.013%
          HA    THR   23 - HN    ALA   34  15.28 +/- 0.78   1.247% *  0.2680% (0.20   0.02   0.02) =   0.007%
          HA    VAL   41 - HN    LEU   80  17.06 +/- 2.72   1.204% *  0.2124% (0.16   0.02   0.02) =   0.005%
          HA    ASP-  78 - HN    ALA   34  24.82 +/- 3.28   0.352% *  0.6072% (0.45   0.02   0.02) =   0.004%
    Distance limit 4.13 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.723, support = 4.41, residual support = 17.4:
          HB2   ASP-  78 - HN    LEU   80   4.90 +/- 1.12  26.063% * 40.4758% (0.88   4.26   7.12) =  42.504%  kept
          QE    LYS+  33 - HN    ALA   34   4.87 +/- 0.72  26.397% * 32.3919% (0.52   5.69  40.78) =  34.451%  kept
          HB2   ASP-  76 - HN    LEU   80   5.12 +/- 0.93  24.239% * 23.0403% (0.75   2.85   1.23) =  22.502%  kept
          HB2   ASN   28 - HN    ALA   34   9.47 +/- 0.84   3.826% *  3.0495% (0.41   0.69   0.02) =   0.470%  kept
          HB2   ASN   69 - HN    ALA   34  13.50 +/- 3.97   7.333% *  0.1572% (0.72   0.02   0.02) =   0.046%
          QE    LYS+  65 - HN    LEU   80  17.11 +/- 5.14   4.213% *  0.0539% (0.25   0.02   0.02) =   0.009%
          HB2   ASP-  86 - HN    LEU   80   9.18 +/- 1.33   5.009% *  0.0262% (0.12   0.02   0.02) =   0.005%
          HB2   ASN   28 - HN    LEU   80  20.05 +/- 7.71   0.970% *  0.0797% (0.37   0.02   0.70) =   0.003%
          HB2   ASP-  76 - HN    ALA   34  20.74 +/- 3.38   0.336% *  0.1808% (0.83   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  24.52 +/- 3.58   0.196% *  0.2122% (0.98   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.07 +/- 3.16   0.278% *  0.1408% (0.65   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    LEU   80  22.69 +/- 5.45   0.351% *  0.1020% (0.47   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ALA   34  18.48 +/- 2.40   0.495% *  0.0602% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  24.62 +/- 5.95   0.295% *  0.0293% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.434, support = 5.73, residual support = 48.8:
          HB2   GLU-  79 - HN    LEU   80   2.83 +/- 0.47  84.516% * 87.0117% (0.44   5.78  49.34) =  98.933%  kept
          HG3   GLU-  36 - HN    ALA   34   7.26 +/- 1.13   8.992% *  8.5463% (0.34   0.73   0.27) =   1.034%  kept
          HG3   GLU-  25 - HN    LEU   80  21.13 +/- 8.51   0.969% *  0.6063% (0.88   0.02   0.02) =   0.008%
          HG3   GLU-  25 - HN    ALA   34  14.90 +/- 1.19   0.710% *  0.6769% (0.98   0.02   0.02) =   0.006%
          HG2   MET   92 - HN    LEU   80  13.54 +/- 3.53   2.056% *  0.2110% (0.30   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    LEU   80  16.46 +/- 4.22   0.766% *  0.5365% (0.78   0.02   0.02) =   0.006%
          HB2   PRO   58 - HN    LEU   80  21.35 +/- 4.81   0.496% *  0.2321% (0.34   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  21.75 +/- 4.69   0.329% *  0.3361% (0.49   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    LEU   80  19.28 +/- 2.74   0.322% *  0.2543% (0.37   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  20.96 +/- 1.94   0.244% *  0.2839% (0.41   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  28.40 +/- 2.43   0.105% *  0.5990% (0.87   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.88 +/- 2.62   0.183% *  0.2592% (0.37   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  26.10 +/- 3.08   0.163% *  0.2356% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  28.02 +/- 4.55   0.150% *  0.2110% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.733, support = 5.32, residual support = 41.5:
          HB3   GLU-  79 - HN    LEU   80   3.37 +/- 0.74  41.394% * 59.1765% (0.78   5.92  49.34) =  83.896%  kept
          QB    GLU-  36 - HN    ALA   34   5.37 +/- 0.61  13.260% * 15.9517% (0.80   1.55   0.27) =   7.244%  kept
          QB    GLN   32 - HN    ALA   34   4.58 +/- 0.19  19.835% *  7.8358% (0.17   3.48   0.69) =   5.323%  kept
          HB3   GLU-  29 - HN    ALA   34   7.50 +/- 1.25   7.685% * 10.8488% (0.49   1.73   0.65) =   2.855%  kept
          HG3   GLU-  29 - HN    ALA   34   9.46 +/- 1.18   2.890% *  3.2633% (0.17   1.45   0.65) =   0.323%  kept
          HB    VAL   24 - HN    LEU   80  14.75 +/- 8.22   4.993% *  1.8780% (0.20   0.73   3.77) =   0.321%  kept
          HG3   GLU- 100 - HN    ALA   34   9.97 +/- 2.92   6.240% *  0.1252% (0.49   0.02   0.02) =   0.027%
          HB2   GLN   90 - HN    LEU   80  11.81 +/- 1.97   1.452% *  0.0711% (0.28   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    ALA   34  21.76 +/- 4.33   0.242% *  0.2232% (0.87   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    ALA   34  13.93 +/- 0.80   0.719% *  0.0573% (0.22   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LEU   80  22.81 +/- 7.47   0.287% *  0.1122% (0.44   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.99 +/- 3.57   0.159% *  0.1845% (0.72   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  26.09 +/- 3.51   0.134% *  0.1122% (0.44   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  22.55 +/- 7.68   0.312% *  0.0404% (0.16   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  21.49 +/- 5.95   0.295% *  0.0404% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  29.39 +/- 4.59   0.103% *  0.0794% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.69, support = 0.15, residual support = 0.288:
          QG1   VAL   75 - HN    LEU   80   6.74 +/- 1.64  75.574% * 67.9836% (0.68   0.16   0.30) =  95.244%  kept
          QG1   VAL   75 - HN    ALA   34  14.49 +/- 2.35  10.894% *  9.7320% (0.76   0.02   0.02) =   1.965%  kept
          QD1   LEU  115 - HN    ALA   34  18.44 +/- 1.92   6.558% * 11.7554% (0.92   0.02   0.02) =   1.429%  kept
          QD1   LEU  115 - HN    LEU   80  16.08 +/- 2.19   6.974% * 10.5290% (0.82   0.02   0.02) =   1.361%  kept
    Distance limit 4.70 A violated in 11 structures by 2.03 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 = 0.342, support = 6.49, residual support = 83.0:
          QD2   LEU   80 - HN    LEU   80   3.50 +/- 0.55  40.924% * 56.4027% (0.40   6.44  86.01) =  71.309%  kept
          QD1   LEU   80 - HN    LEU   80   4.02 +/- 0.64  28.139% * 28.5742% (0.18   7.39  86.01) =  24.840%  kept
          QG2   VAL   41 - HN    ALA   34   8.29 +/- 3.06  10.210% * 11.7130% (0.34   1.57   6.90) =   3.695%  kept
          QD1   LEU   73 - HN    ALA   34   9.50 +/- 3.70   4.505% *  0.3643% (0.83   0.02   0.02) =   0.051%
          QD1   LEU   63 - HN    ALA   34  13.13 +/- 2.72   2.030% *  0.3643% (0.83   0.02   0.02) =   0.023%
          QD2   LEU   63 - HN    ALA   34  12.75 +/- 2.54   1.560% *  0.3912% (0.89   0.02   0.02) =   0.019%
          QD1   LEU   73 - HN    LEU   80  11.89 +/- 2.43   1.593% *  0.3263% (0.75   0.02   0.02) =   0.016%
          QD1   LEU  104 - HN    ALA   34  10.25 +/- 2.67   2.549% *  0.1088% (0.25   0.02   0.02) =   0.009%
          QD2   LEU   98 - HN    ALA   34   9.69 +/- 2.09   3.024% *  0.0863% (0.20   0.02   0.02) =   0.008%
          QD2   LEU   63 - HN    LEU   80  16.04 +/- 3.20   0.696% *  0.3504% (0.80   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   80  15.65 +/- 3.16   0.691% *  0.3263% (0.75   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    ALA   34  18.00 +/- 6.51   0.737% *  0.1955% (0.45   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LEU   80  14.18 +/- 2.97   0.765% *  0.1333% (0.30   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  17.85 +/- 2.26   0.413% *  0.2123% (0.49   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU   80  16.89 +/- 1.75   0.387% *  0.1902% (0.44   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ALA   34  19.15 +/- 6.71   0.671% *  0.0863% (0.20   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    LEU   80  15.65 +/- 3.79   0.724% *  0.0773% (0.18   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  19.96 +/- 3.80   0.382% *  0.0974% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 0.73, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  17.11 +/- 5.63  23.466% * 31.5414% (1.00   0.02   0.02) =  43.946%  kept
          QD2   LEU  123 - HN    LEU   80  22.89 +/- 3.38  10.830% * 28.2508% (0.89   0.02   0.02) =  18.165%  kept
          HG3   LYS+ 121 - HN    ALA   34  17.69 +/- 5.80  19.987% * 14.1725% (0.45   0.02   0.02) =  16.819%  kept
          HB3   LEU  104 - HN    ALA   34  14.18 +/- 2.98  30.001% *  7.0378% (0.22   0.02   0.02) =  12.537%  kept
          HG3   LYS+ 121 - HN    LEU   80  25.48 +/- 3.05   6.986% * 12.6939% (0.40   0.02   0.02) =   5.265%  kept
          HB3   LEU  104 - HN    LEU   80  23.99 +/- 3.95   8.730% *  6.3036% (0.20   0.02   0.02) =   3.267%  kept
    Distance limit 4.52 A violated in 20 structures by 7.46 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.768, support = 5.46, residual support = 39.5:
          QB    LYS+  33 - HN    ALA   34   3.34 +/- 0.36  51.935% * 44.9759% (0.74   5.93  40.78) =  73.615%  kept
          QB    LYS+  81 - HN    LEU   80   5.26 +/- 0.57  16.523% * 42.7713% (0.94   4.42  41.33) =  22.272%  kept
          HB3   GLN   30 - HN    ALA   34   5.69 +/- 0.87  13.761% *  9.3302% (0.32   2.83   7.23) =   4.046%  kept
          HB3   LYS+  38 - HN    ALA   34   8.58 +/- 0.92   4.265% *  0.0973% (0.47   0.02   0.02) =   0.013%
          HB3   GLN   90 - HN    LEU   80  12.10 +/- 1.89   1.502% *  0.1902% (0.93   0.02   0.02) =   0.009%
          HB    ILE  103 - HN    ALA   34  15.21 +/- 2.89   2.035% *  0.1285% (0.63   0.02   0.02) =   0.008%
          HG2   ARG+  54 - HN    LEU   80  19.04 +/- 3.40   1.177% *  0.1621% (0.79   0.02   0.02) =   0.006%
          HG3   PRO   68 - HN    ALA   34  16.13 +/- 3.92   1.073% *  0.1226% (0.60   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    LEU   80  13.23 +/- 3.62   1.907% *  0.0539% (0.26   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU   80  17.22 +/- 3.02   0.522% *  0.1940% (0.95   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ALA   34  15.96 +/- 2.40   0.652% *  0.1392% (0.68   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU   80  18.28 +/- 2.81   0.600% *  0.1483% (0.72   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  17.19 +/- 1.42   0.453% *  0.1604% (0.78   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LEU   80  18.71 +/- 6.49   0.870% *  0.0798% (0.39   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  21.74 +/- 5.06   0.344% *  0.1835% (0.89   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  21.16 +/- 3.69   0.284% *  0.1554% (0.76   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.52 +/- 3.80   0.290% *  0.1483% (0.72   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   34  23.58 +/- 5.35   0.242% *  0.1601% (0.78   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  22.33 +/- 2.60   0.215% *  0.1683% (0.82   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.53 +/- 2.25   0.159% *  0.1226% (0.60   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  29.17 +/- 4.25   0.120% *  0.1573% (0.77   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  25.82 +/- 2.61   0.132% *  0.1177% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  21.50 +/- 4.68   0.495% *  0.0299% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.80 +/- 3.01   0.102% *  0.1340% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.83 +/- 3.02   0.157% *  0.0446% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.95 +/- 3.09   0.188% *  0.0248% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 3.64, residual support = 24.6:
      O   QB    ALA   34 - HN    ALA   34   2.07 +/- 0.09  88.002% * 81.4243% (0.24  10.0   3.67  24.95) =  98.639%  kept
          QG2   THR   77 - HN    LEU   80   6.12 +/- 1.25   5.624% * 17.4572% (0.76   1.0   1.37   0.61) =   1.352%  kept
          QG2   THR   23 - HN    LEU   80  15.12 +/- 6.98   1.656% *  0.2064% (0.61   1.0   0.02   0.25) =   0.005%
          HG2   LYS+  38 - HN    ALA   34   7.82 +/- 1.35   2.850% *  0.0407% (0.12   1.0   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    LEU   80  11.50 +/- 1.05   0.587% *  0.1312% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  13.05 +/- 1.06   0.381% *  0.1707% (0.51   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.91 +/- 2.12   0.151% *  0.2112% (0.63   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.40 +/- 2.60   0.347% *  0.0559% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.95 +/- 3.54   0.179% *  0.0985% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  24.50 +/- 4.10   0.069% *  0.1085% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.27 +/- 1.65   0.105% *  0.0462% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.16 +/- 3.00   0.048% *  0.0492% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.403, support = 6.06, residual support = 86.0:
      O   HB2   LEU   80 - HN    LEU   80   2.82 +/- 0.49  58.743% * 49.7878% (0.26  10.0   5.83  86.01) =  71.555%  kept
          HG    LEU   80 - HN    LEU   80   4.45 +/- 0.85  24.339% * 47.7029% (0.76   1.0   6.65  86.01) =  28.406%  kept
          HG12  ILE   19 - HN    ALA   34  10.44 +/- 2.96   2.256% *  0.1017% (0.54   1.0   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    ALA   34  11.88 +/- 3.84   1.617% *  0.1237% (0.65   1.0   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    LEU   80  14.36 +/- 3.04   1.124% *  0.1694% (0.89   1.0   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ALA   34   8.87 +/- 2.29   3.476% *  0.0505% (0.27   1.0   0.02   0.55) =   0.004%
          HG    LEU   73 - HN    LEU   80  14.36 +/- 3.17   0.666% *  0.1496% (0.79   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   34  14.96 +/- 3.26   0.612% *  0.1477% (0.78   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   80  19.43 +/- 8.27   0.721% *  0.1230% (0.65   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    LEU   80  19.46 +/- 3.26   0.389% *  0.1728% (0.91   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ALA   34  15.18 +/- 2.79   0.525% *  0.1075% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   80  15.82 +/- 2.57   0.369% *  0.1368% (0.72   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   80  18.07 +/- 2.54   0.263% *  0.1787% (0.94   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   34  17.35 +/- 2.55   0.320% *  0.1429% (0.75   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA   34  22.21 +/- 7.47   0.335% *  0.1186% (0.63   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ALA   34  17.68 +/- 1.78   0.274% *  0.1401% (0.74   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  12.02 +/- 2.17   1.130% *  0.0276% (0.15   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  15.00 +/- 3.41   0.528% *  0.0369% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  21.88 +/- 1.42   0.143% *  0.1131% (0.60   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  25.42 +/- 4.26   0.103% *  0.1300% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  19.18 +/- 2.06   0.216% *  0.0611% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  18.64 +/- 3.03   0.274% *  0.0447% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  17.61 +/- 6.07   0.468% *  0.0259% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.49 +/- 2.40   0.185% *  0.0611% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  22.19 +/- 6.25   0.246% *  0.0412% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  15.41 +/- 1.56   0.435% *  0.0228% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  21.32 +/- 1.64   0.151% *  0.0505% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.42 +/- 3.07   0.090% *  0.0314% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.556, support = 3.73, residual support = 13.3:
          HG    LEU   31 - HN    ALA   34   5.72 +/- 0.59  21.754% * 75.4993% (0.51   4.48  14.95) =  79.980%  kept
          QG1   VAL   41 - HN    ALA   34   6.85 +/- 2.52  20.214% * 19.4977% (0.78   0.75   6.90) =  19.194%  kept
          QG2   THR   46 - HN    LEU   80   9.64 +/- 2.68   7.986% *  0.3823% (0.57   0.02   0.02) =   0.149%  kept
          QG1   VAL   43 - HN    LEU   80  10.56 +/- 2.89   3.858% *  0.5818% (0.87   0.02   0.02) =   0.109%  kept
          QG2   VAL   18 - HN    ALA   34  11.35 +/- 2.53   5.164% *  0.3784% (0.57   0.02   0.02) =   0.095%
          QD2   LEU   73 - HN    ALA   34   9.44 +/- 3.02   7.518% *  0.2536% (0.38   0.02   0.02) =   0.093%
          QG1   VAL   43 - HN    ALA   34  11.43 +/- 2.70   3.557% *  0.4810% (0.72   0.02   0.02) =   0.083%
          QD1   ILE   19 - HN    ALA   34   8.46 +/- 2.37   9.330% *  0.1449% (0.22   0.02   0.02) =   0.066%
          QD2   LEU   73 - HN    LEU   80  12.09 +/- 2.42   3.317% *  0.3068% (0.46   0.02   0.02) =   0.050%
          QD1   ILE   19 - HN    LEU   80  16.18 +/- 6.76   4.609% *  0.1752% (0.26   0.02   0.02) =   0.039%
          QG2   VAL   18 - HN    LEU   80  16.63 +/- 7.21   1.457% *  0.4577% (0.69   0.02   0.02) =   0.032%
          QG1   VAL   41 - HN    LEU   80  15.91 +/- 2.78   1.059% *  0.6288% (0.94   0.02   0.02) =   0.032%
          QD2   LEU  104 - HN    ALA   34  10.67 +/- 2.08   6.039% *  0.0913% (0.14   0.02   0.02) =   0.027%
          HG    LEU   31 - HN    LEU   80  18.66 +/- 6.00   1.255% *  0.4077% (0.61   0.02   0.02) =   0.025%
          QG2   THR   46 - HN    ALA   34  17.66 +/- 2.04   0.672% *  0.3161% (0.47   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    LEU   80  15.33 +/- 2.32   1.173% *  0.1572% (0.24   0.02   0.02) =   0.009%
          QD1   ILE   56 - HN    ALA   34  19.72 +/- 1.89   0.546% *  0.1299% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    LEU   80  19.66 +/- 3.27   0.493% *  0.1104% (0.17   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.43, residual support = 85.9:
          QD2   LEU   80 - HN    LEU   80   3.50 +/- 0.55  50.965% * 97.1284% (0.85   6.44  86.01) =  99.853%  kept
          QG1   VAL   83 - HN    LEU   80   4.90 +/- 1.09  28.761% *  0.0839% (0.24   0.02   0.02) =   0.049%
          QD1   LEU   73 - HN    ALA   34   9.50 +/- 3.70   5.923% *  0.2726% (0.77   0.02   0.02) =   0.033%
          QD1   LEU   73 - HN    LEU   80  11.89 +/- 2.43   2.339% *  0.3296% (0.93   0.02   0.02) =   0.016%
          QD1   LEU  104 - HN    ALA   34  10.25 +/- 2.67   2.958% *  0.1910% (0.54   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    ALA   34  13.13 +/- 2.72   1.668% *  0.2726% (0.77   0.02   0.02) =   0.009%
          QD2   LEU   80 - HN    ALA   34  18.00 +/- 6.51   1.529% *  0.2494% (0.70   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   80  15.65 +/- 3.16   0.838% *  0.3296% (0.93   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    ALA   34  12.75 +/- 2.54   1.429% *  0.1247% (0.35   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LEU   80  16.89 +/- 1.75   0.520% *  0.3105% (0.87   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    LEU   80  16.04 +/- 3.20   0.838% *  0.1508% (0.42   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   80  19.96 +/- 3.80   0.541% *  0.2310% (0.65   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  17.85 +/- 2.26   0.487% *  0.2567% (0.72   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  18.68 +/- 5.60   1.204% *  0.0693% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.457, support = 0.152, residual support = 0.293:
          QG1   VAL   75 - HN    LEU   80   6.74 +/- 1.64  75.574% * 79.7107% (0.46   0.16   0.30) =  97.218%  kept
          QG1   VAL   75 - HN    ALA   34  14.49 +/- 2.35  10.894% *  8.4503% (0.38   0.02   0.02) =   1.486%  kept
          QD1   LEU  115 - HN    LEU   80  16.08 +/- 2.19   6.974% *  6.4807% (0.29   0.02   0.02) =   0.729%  kept
          QD1   LEU  115 - HN    ALA   34  18.44 +/- 1.92   6.558% *  5.3583% (0.24   0.02   0.02) =   0.567%  kept
    Distance limit 4.51 A violated in 12 structures by 2.20 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.618, support = 3.5, residual support = 25.3:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  70.444% * 83.8758% (0.63  10.0   3.47  24.95) =  97.272%  kept
          HA    LYS+  81 - HN    LEU   80   4.68 +/- 0.31  14.888% *  9.8218% (0.29   1.0   5.02  41.33) =   2.407%  kept
          HA    ASN   28 - HN    ALA   34   7.68 +/- 0.54   3.392% *  3.3358% (0.74   1.0   0.67   0.02) =   0.186%  kept
          HA    GLU-  36 - HN    ALA   34   7.02 +/- 0.12   4.240% *  1.8251% (0.17   1.0   1.57   0.27) =   0.127%  kept
          HA    ARG+  54 - HN    LEU   80  18.12 +/- 3.16   1.003% *  0.1058% (0.79   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  18.84 +/- 7.06   0.660% *  0.1198% (0.89   1.0   0.02   0.70) =   0.001%
          HA1   GLY  101 - HN    ALA   34  12.39 +/- 2.50   1.182% *  0.0635% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   34  20.00 +/- 7.39   0.757% *  0.0761% (0.57   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34  10.28 +/- 1.22   1.559% *  0.0183% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.32 +/- 2.00   0.191% *  0.1169% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  20.96 +/- 2.08   0.178% *  0.0967% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  23.01 +/- 4.17   0.161% *  0.1014% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  20.45 +/- 8.04   0.589% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  24.74 +/- 5.26   0.161% *  0.0768% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.03 +/- 2.85   0.085% *  0.0875% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.63 +/- 2.72   0.129% *  0.0568% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  24.17 +/- 2.64   0.118% *  0.0470% (0.35   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.82 +/- 3.52   0.056% *  0.0920% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  25.47 +/- 5.27   0.128% *  0.0323% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.99 +/- 3.83   0.080% *  0.0282% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.585, support = 3.6, residual support = 14.2:
          HA    LEU   31 - HN    ALA   34   3.26 +/- 0.56  63.880% * 90.3889% (0.60   3.76  14.95) =  94.881%  kept
          HA    THR   77 - HN    LEU   80   5.03 +/- 1.57  35.383% *  8.7943% (0.36   0.62   0.61) =   5.113%  kept
          HA    LEU   31 - HN    LEU   80  20.46 +/- 5.44   0.464% *  0.5809% (0.72   0.02   0.02) =   0.004%
          HA    THR   77 - HN    ALA   34  21.27 +/- 3.05   0.274% *  0.2359% (0.29   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.738, support = 4.55, residual support = 19.0:
          HB2   ASP-  78 - HN    LEU   80   4.90 +/- 1.12  26.063% * 41.9110% (0.93   4.26   7.12) =  44.039%  kept
          QE    LYS+  33 - HN    ALA   34   4.87 +/- 0.72  26.397% * 36.0796% (0.60   5.69  40.78) =  38.398%  kept
          HB2   ASP-  76 - HN    LEU   80   5.12 +/- 0.93  24.239% * 17.3240% (0.57   2.85   1.23) =  16.930%  kept
          HB2   ASN   28 - HN    ALA   34   9.47 +/- 0.84   3.826% *  3.6796% (0.51   0.69   0.02) =   0.568%  kept
          HB2   ASN   69 - HN    ALA   34  13.50 +/- 3.97   7.333% *  0.0808% (0.38   0.02   0.02) =   0.024%
          QE    LYS+  65 - HN    LEU   80  17.11 +/- 5.14   4.213% *  0.0977% (0.46   0.02   0.02) =   0.017%
          HB2   ASP-  86 - HN    LEU   80   9.18 +/- 1.33   5.009% *  0.0558% (0.26   0.02   0.02) =   0.011%
          HB2   ASN   28 - HN    LEU   80  20.05 +/- 7.71   0.970% *  0.1299% (0.61   0.02   0.70) =   0.005%
          QE    LYS+  33 - HN    LEU   80  22.69 +/- 5.45   0.351% *  0.1534% (0.72   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ALA   34  18.48 +/- 2.40   0.495% *  0.0808% (0.38   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    ALA   34  20.74 +/- 3.38   0.336% *  0.1007% (0.47   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ALA   34  24.52 +/- 3.58   0.196% *  0.1627% (0.77   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    LEU   80  23.07 +/- 3.16   0.278% *  0.0977% (0.46   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  24.62 +/- 5.95   0.295% *  0.0462% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.459, support = 5.74, residual support = 49.0:
          HB2   GLU-  79 - HN    LEU   80   2.83 +/- 0.47  84.516% * 89.5528% (0.46   5.78  49.34) =  99.202%  kept
          HG3   GLU-  36 - HN    ALA   34   7.26 +/- 1.13   8.992% *  6.5139% (0.27   0.73   0.27) =   0.768%  kept
          HG3   GLU-  25 - HN    LEU   80  21.13 +/- 8.51   0.969% *  0.6240% (0.93   0.02   0.02) =   0.008%
          HG2   MET   92 - HN    LEU   80  13.54 +/- 3.53   2.056% *  0.2172% (0.32   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    LEU   80  16.46 +/- 4.22   0.766% *  0.5522% (0.82   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    ALA   34  14.90 +/- 1.19   0.710% *  0.5159% (0.77   0.02   0.02) =   0.005%
          HB2   PRO   58 - HN    LEU   80  21.35 +/- 4.81   0.496% *  0.2389% (0.36   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  21.75 +/- 4.69   0.329% *  0.2562% (0.38   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    LEU   80  19.28 +/- 2.74   0.322% *  0.2617% (0.39   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  20.96 +/- 1.94   0.244% *  0.2164% (0.32   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  28.40 +/- 2.43   0.105% *  0.4566% (0.68   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.88 +/- 2.62   0.183% *  0.1975% (0.29   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  28.02 +/- 4.55   0.150% *  0.2172% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.10 +/- 3.08   0.163% *  0.1795% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 7.13, residual support = 38.2:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.04  40.430% * 81.6329% (0.78  10.0   7.37  40.78) =  93.547%  kept
          HA    GLN   32 - HN    ALA   34   4.38 +/- 0.41  22.941% *  5.5226% (0.22   1.0   4.87   0.69) =   3.591%  kept
          HA    GLU-  29 - HN    ALA   34   6.63 +/- 0.96   9.216% *  9.3615% (0.75   1.0   2.38   0.65) =   2.445%  kept
          HB2   SER   82 - HN    LEU   80   7.17 +/- 0.72   5.508% *  2.4863% (0.85   1.0   0.56   0.41) =   0.388%  kept
          HA    VAL   70 - HN    ALA   34  10.54 +/- 3.02   4.976% *  0.0708% (0.68   1.0   0.02   0.02) =   0.010%
          HB2   SER   37 - HN    ALA   34   6.87 +/- 1.25   8.297% *  0.0182% (0.17   1.0   0.02   0.11) =   0.004%
          HA    VAL   18 - HN    ALA   34  12.19 +/- 2.24   1.819% *  0.0772% (0.74   1.0   0.02   0.02) =   0.004%
          HA    SER   48 - HN    LEU   80  12.45 +/- 4.15   2.036% *  0.0519% (0.50   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  20.04 +/- 9.37   0.681% *  0.0934% (0.89   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    LEU   80  11.76 +/- 1.39   1.308% *  0.0305% (0.29   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  22.52 +/- 7.13   0.357% *  0.0953% (0.91   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  20.13 +/- 1.94   0.246% *  0.0856% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  25.14 +/- 7.53   0.282% *  0.0732% (0.70   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  21.65 +/- 2.93   0.235% *  0.0708% (0.68   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  25.42 +/- 5.43   0.166% *  0.0987% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  22.45 +/- 2.46   0.190% *  0.0856% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.23 +/- 3.58   0.595% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.56 +/- 4.10   0.157% *  0.0429% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  24.09 +/- 6.06   0.224% *  0.0275% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.50 +/- 3.18   0.146% *  0.0220% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  28.61 +/- 4.78   0.107% *  0.0252% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.63 +/- 2.09   0.081% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.312, support = 2.03, residual support = 5.1:
          HN    GLN   30 - HN    ALA   34   5.89 +/- 0.87  43.656% * 43.0898% (0.17  1.00   2.61   7.23) =  67.762%  kept
          HN    GLU-  29 - HN    ALA   34   7.91 +/- 0.88  17.776% * 48.4315% (0.61  1.00   0.85   0.65) =  31.012%  kept
          HN    VAL   18 - HN    ALA   34  13.35 +/- 3.10  12.021% *  1.3674% (0.72  1.00   0.02   0.02) =   0.592%  kept
          HN    ASP-  86 - HN    LEU   80   8.75 +/- 1.02  17.034% *  0.3755% (0.20  1.00   0.02   0.02) =   0.230%  kept
        T HN    ASP-  86 - HN    ALA   34  25.94 +/- 5.80   1.092% *  4.1925% (0.22 10.00   0.02   0.02) =   0.165%  kept
          HN    GLU-  29 - HN    LEU   80  20.35 +/- 7.40   3.447% *  1.0230% (0.54  1.00   0.02   0.02) =   0.127%  kept
          HN    VAL   18 - HN    LEU   80  21.60 +/- 8.93   1.746% *  1.2248% (0.65  1.00   0.02   0.02) =   0.077%
          HN    GLN   30 - HN    LEU   80  19.90 +/- 6.90   3.228% *  0.2954% (0.16  1.00   0.02   0.02) =   0.034%
    Distance limit 3.85 A violated in 13 structures by 1.62 A, kept.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.214, support = 1.98, residual support = 4.92:
          HN    GLN   30 - HN    ALA   34   5.89 +/- 0.87  43.656% * 39.7145% (0.11  1.00   2.61   7.23) =  64.975%  kept
          HN    GLU-  29 - HN    ALA   34   7.91 +/- 0.88  17.776% * 50.1059% (0.41  1.00   0.85   0.65) =  33.379%  kept
          HN    VAL   18 - HN    ALA   34  13.35 +/- 3.10  12.021% *  1.7985% (0.63  1.00   0.02   0.02) =   0.810%  kept
          HN    ASP-  86 - HN    LEU   80   8.75 +/- 1.02  17.034% *  0.4757% (0.17  1.00   0.02   0.02) =   0.304%  kept
          HN    GLU-  29 - HN    LEU   80  20.35 +/- 7.40   3.447% *  1.4292% (0.50  1.00   0.02   0.02) =   0.185%  kept
        T HN    ASP-  86 - HN    ALA   34  25.94 +/- 5.80   1.092% *  3.9334% (0.14 10.00   0.02   0.02) =   0.161%  kept
          HN    VAL   18 - HN    LEU   80  21.60 +/- 8.93   1.746% *  2.1752% (0.76  1.00   0.02   0.02) =   0.142%  kept
          HN    GLN   30 - HN    LEU   80  19.90 +/- 6.90   3.228% *  0.3676% (0.13  1.00   0.02   0.02) =   0.044%
    Distance limit 3.82 A violated in 13 structures by 1.65 A, kept.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.73, residual support = 21.0:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.07  97.169% * 98.3004% (0.54 10.00   4.73  21.05) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  24.37 +/- 4.62   0.198% *  1.1889% (0.65 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    ALA   34  18.05 +/- 4.57   0.863% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  28.13 +/- 7.88   0.217% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.78 +/- 1.35   0.683% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.12 +/- 2.98   0.447% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.01 +/- 2.39   0.253% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  23.17 +/- 1.88   0.169% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.937, support = 5.33, residual support = 41.3:
          HN    LYS+  81 - HN    LEU   80   3.64 +/- 0.55  78.956% * 96.6299% (0.94   5.33  41.33) =  99.896%  kept
          HE3   TRP   27 - HN    LEU   80  15.99 +/- 6.56   2.684% *  2.1500% (0.15   0.76   3.83) =   0.076%
          QD    PHE   60 - HN    LEU   80  13.84 +/- 2.84   2.166% *  0.3279% (0.85   0.02   0.02) =   0.009%
          HE3   TRP   27 - HN    ALA   34   7.88 +/- 0.77  11.187% *  0.0466% (0.12   0.02   0.02) =   0.007%
          QD    PHE   60 - HN    ALA   34  16.46 +/- 2.20   1.379% *  0.2711% (0.70   0.02   0.02) =   0.005%
          HN    LYS+  66 - HN    LEU   80  19.21 +/- 3.61   2.194% *  0.1503% (0.39   0.02   0.02) =   0.004%
          HN    LYS+  66 - HN    ALA   34  17.72 +/- 2.54   1.089% *  0.1243% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    ALA   34  24.65 +/- 5.96   0.346% *  0.2997% (0.78   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.04 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        :    455
      with multiple volume contributions     :    517
      eliminated by violation filter         :     34
 
    Peaks:
      selected                               :   1103
      without assignment                     :     48
      with assignment                        :   1055
      with unique assignment                 :    562
      with multiple assignment               :    493
      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             :    926
 
    Atoms with eliminated volume contribution > 2.5:
    HN    THR   94       3.0
 
    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 = 0.798, support = 3.69, residual support = 47.3:
    * O T HG2   MET   11 - HA    MET   11   3.22 +/- 0.66  40.708% * 70.8328% (1.00  10.0 10.00   4.00  48.35) =  66.776%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.82 +/- 0.19  51.628% * 27.7351% (0.39  10.0 10.00   3.07  45.21) =  33.160%  kept
        T HB2   GLU-  14 - HA    MET   11   9.74 +/- 1.72   2.505% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.041%
        T HG2   MET   11 - HA    GLU-  14   9.91 +/- 2.16   3.299% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.021%
          HG2   PRO   58 - HA    MET   11  28.48 +/- 7.86   0.589% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HA    MET   11  33.35 +/- 7.79   0.113% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.69 +/- 4.33   0.186% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  22.76 +/- 5.81   0.200% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  35.81 +/- 7.55   0.047% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  17.51 +/- 5.69   0.386% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  30.13 +/- 4.10   0.058% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  29.71 +/- 4.89   0.056% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  32.52 +/- 4.29   0.040% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.00 +/- 3.84   0.078% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  33.30 +/- 5.71   0.042% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.02 +/- 3.71   0.066% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 3.71, residual support = 47.3:
    * O T HG3   MET   11 - HA    MET   11   3.16 +/- 0.63  40.934% * 72.0852% (1.00  10.0 10.00   4.00  48.35) =  68.865%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.81 +/- 0.16  49.765% * 26.7596% (0.37  10.0 10.00   3.07  45.21) =  31.080%  kept
        T HB3   GLU-  14 - HA    MET   11  10.18 +/- 1.85   2.147% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.034%
        T HG3   MET   11 - HA    GLU-  14  10.47 +/- 2.31   2.958% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.020%
          HB2   LEU   40 - HA    GLU-  14  16.37 +/- 3.98   2.120% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  27.96 +/- 7.97   0.489% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.76 +/- 4.01   0.180% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  18.59 +/- 4.42   0.280% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  27.44 +/- 4.96   0.070% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.85 +/- 3.22   0.642% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.67 +/- 4.27   0.153% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.97 +/- 4.82   0.172% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  33.70 +/- 5.65   0.037% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.16 +/- 4.44   0.051% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.856, support = 3.83, residual support = 47.1:
    * O T HA    MET   11 - HG2   MET   11   3.22 +/- 0.66  30.121% * 79.8354% (1.00  10.0 10.00   4.00  48.35) =  82.223%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.82 +/- 0.19  37.662% * 12.2909% (0.15  10.0 10.00   3.07  45.21) =  15.828%  kept
          HA    ALA   12 - HG2   MET   11   5.36 +/- 0.88   8.869% *  6.1723% (0.53   1.0  1.00   2.94  11.90) =   1.872%  kept
        T HA    GLU-  14 - HG2   MET   11   9.91 +/- 2.16   2.433% *  0.3282% (0.41   1.0 10.00   0.02   0.02) =   0.027%
          HA    ALA   12 - HB2   GLU-  14   7.22 +/- 0.94   2.957% *  0.2624% (0.20   1.0  1.00   0.33   0.02) =   0.027%
        T HA    MET   11 - HB2   GLU-  14   9.74 +/- 1.72   1.832% *  0.2990% (0.37   1.0 10.00   0.02   0.02) =   0.019%
          HB    THR   77 - HB2   ARG+  54  14.91 +/- 4.21   3.222% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   5.65 +/- 1.04   6.933% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HG2   MET   11  35.71 +/- 9.69   0.430% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  14  23.28 +/- 4.78   0.303% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.24 +/- 8.98   0.104% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  16.77 +/- 4.49   0.484% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  33.35 +/- 7.79   0.080% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  30.34 +/- 7.30   0.075% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  28.60 +/- 5.37   0.075% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.40 +/- 4.58   0.067% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  22.32 +/- 4.11   0.112% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  28.90 +/- 8.08   0.093% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.10 +/- 6.03   0.135% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.04 +/- 5.52   0.519% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.98 +/- 7.22   0.232% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.34 +/- 4.25   0.103% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.00 +/- 2.41   0.349% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  31.79 +/- 8.28   0.159% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.40 +/- 1.00   1.697% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.62 +/- 7.52   0.064% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  28.45 +/- 6.92   0.108% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  30.13 +/- 4.10   0.042% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  18.98 +/- 3.50   0.261% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  35.70 +/- 7.11   0.035% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  23.48 +/- 5.12   0.174% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.40 +/- 3.14   0.074% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  24.61 +/- 3.86   0.068% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  32.41 +/- 3.49   0.027% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.21 +/- 6.24   0.049% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  27.52 +/- 3.36   0.052% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.854, support = 3.28, residual support = 46.8:
    * O T QB    MET   11 - HG2   MET   11   2.34 +/- 0.13  43.964% * 66.1248% (1.00  10.0 10.00   3.31  48.35) =  81.330%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.14  41.730% * 14.0193% (0.21  10.0 10.00   3.31  45.21) =  16.366%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.49 +/- 0.87   4.467% * 17.9811% (0.27   1.0 10.00   2.22   1.74) =   2.247%  kept
        T QG    GLU-  14 - HG2   MET   11   9.40 +/- 2.43   3.262% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.034%
        T QB    MET   11 - HB2   GLU-  14   8.49 +/- 1.69   1.543% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.011%
        T QG    GLU-  15 - HG2   MET   11  12.15 +/- 1.79   0.388% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLU-  36 - HG2   MET   11  21.85 +/- 7.60   0.731% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLU-  36 - HB2   GLU-  14  17.49 +/- 5.51   0.264% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   ARG+  54  29.46 +/- 7.06   0.076% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.18 +/- 4.95   0.074% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.16 +/- 3.93   0.085% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  16.62 +/- 4.28   0.197% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.30 +/- 1.37   0.175% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  26.41 +/- 3.46   0.036% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.28 +/- 3.21   0.628% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  27.04 +/- 3.83   0.038% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.43 +/- 3.56   0.510% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  26.38 +/- 6.36   0.129% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  21.18 +/- 4.34   0.086% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.30 +/- 2.54   0.318% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.44 +/- 7.23   0.045% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  28.35 +/- 8.13   0.068% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  24.11 +/- 7.69   0.130% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  29.35 +/- 4.96   0.038% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.13 +/- 4.69   0.204% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.07 +/- 3.60   0.324% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.51 +/- 2.04   0.261% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  34.39 +/- 5.69   0.021% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  29.38 +/- 6.16   0.039% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  34.24 +/- 3.44   0.016% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.33 +/- 3.33   0.045% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  21.89 +/- 3.07   0.081% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.31 +/- 4.59   0.026% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.5:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  48.906% * 72.5786% (1.00  10.0 10.00   3.99  48.35) =  73.835%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  48.907% * 25.7103% (0.35  10.0 10.00   3.00  45.21) =  26.156%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.61 +/- 2.17   0.398% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   MET   11 - HB2   GLU-  14  10.80 +/- 2.15   0.460% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   58 - HG2   MET   11  27.99 +/- 7.98   0.088% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HB2   GLU-  14  24.07 +/- 4.38   0.032% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  33.69 +/- 8.05   0.020% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  22.22 +/- 3.80   0.051% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.79 +/- 3.19   0.134% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.72 +/- 3.60   0.180% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.07 +/- 1.70   0.269% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  28.09 +/- 4.63   0.017% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  29.80 +/- 4.17   0.012% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.79 +/- 4.56   0.043% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  19.24 +/- 4.02   0.055% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.74 +/- 3.64   0.317% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.67 +/- 2.70   0.046% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  26.24 +/- 3.13   0.017% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  34.20 +/- 5.49   0.009% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.08 +/- 4.79   0.014% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  24.35 +/- 3.65   0.024% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.866, support = 3.84, residual support = 47.2:
    * O T HA    MET   11 - HG3   MET   11   3.16 +/- 0.63  36.370% * 80.7091% (1.00  10.0 10.00   4.00  48.35) =  83.546%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.81 +/- 0.16  43.605% * 11.7800% (0.15  10.0 10.00   3.07  45.21) =  14.620%  kept
          HA    ALA   12 - HG3   MET   11   5.57 +/- 1.09  10.107% *  6.2266% (0.53   1.0  1.00   2.93  11.90) =   1.791%  kept
        T HA    GLU-  14 - HG3   MET   11  10.47 +/- 2.31   2.582% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.024%
        T HA    MET   11 - HB3   GLU-  14  10.18 +/- 1.85   1.784% *  0.2865% (0.36   1.0 10.00   0.02   0.02) =   0.015%
          HA    ALA   12 - HB3   GLU-  14   7.69 +/- 1.10   2.565% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   GLU-  14  16.54 +/- 4.60   0.708% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  35.95 +/- 9.61   0.236% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.01 +/- 4.57   0.311% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  27.66 +/- 5.04   0.097% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  30.54 +/- 7.68   0.097% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.81 +/- 7.41   0.379% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  36.43 +/- 9.07   0.075% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  28.84 +/- 5.61   0.071% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.91 +/- 6.23   0.182% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  29.12 +/- 8.29   0.107% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  22.74 +/- 4.27   0.123% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  22.02 +/- 4.36   0.120% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  31.52 +/- 8.51   0.130% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  32.37 +/- 7.76   0.059% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  28.75 +/- 7.48   0.132% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  35.98 +/- 7.65   0.043% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  24.26 +/- 4.00   0.084% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  32.11 +/- 3.85   0.032% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.829, support = 3.25, residual support = 45.6:
    * O T QB    MET   11 - HG3   MET   11   2.42 +/- 0.13  40.425% * 67.3911% (1.00  10.0 10.00   3.31  48.35) =  78.324%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.36 +/- 0.14  43.374% * 13.5457% (0.20  10.0 10.00   3.31  45.21) =  16.892%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.16 +/- 1.12   9.480% * 17.3737% (0.26   1.0 10.00   2.10   1.74) =   4.735%  kept
        T QG    GLU-  14 - HG3   MET   11   9.83 +/- 2.39   2.090% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.023%
        T QB    MET   11 - HB3   GLU-  14   8.81 +/- 1.84   1.769% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   GLU-  36 - HG3   MET   11  22.30 +/- 7.27   0.997% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.007%
        T QG    GLU-  15 - HG3   MET   11  12.72 +/- 1.77   0.368% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLU-  36 - HB3   GLU-  14  17.42 +/- 5.38   0.323% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG3   MET   11  26.45 +/- 5.43   0.103% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.49 +/- 4.33   0.106% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  16.34 +/- 4.62   0.231% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  32.60 +/- 7.51   0.059% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  20.86 +/- 4.49   0.095% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  26.73 +/- 6.96   0.117% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  28.61 +/- 8.25   0.071% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  23.93 +/- 7.83   0.138% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  29.58 +/- 5.40   0.033% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  34.59 +/- 6.10   0.023% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  29.15 +/- 6.32   0.049% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.06 +/- 3.22   0.045% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  21.54 +/- 3.25   0.077% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.03 +/- 4.75   0.030% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.5:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.377% * 71.8618% (1.00  10.0 10.00   3.99  48.35) =  73.834%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.378% * 25.4564% (0.35  10.0 10.00   3.00  45.21) =  26.155%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.80 +/- 2.15   0.465% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   MET   11 - HB3   GLU-  14  10.61 +/- 2.17   0.402% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   PRO   58 - HG3   MET   11  28.93 +/- 8.05   0.074% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG3   MET   11  36.23 +/- 7.70   0.011% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  33.69 +/- 8.05   0.020% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  23.11 +/- 6.15   0.055% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  24.42 +/- 4.12   0.032% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  17.55 +/- 5.30   0.101% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  29.80 +/- 4.17   0.012% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  30.27 +/- 5.33   0.015% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  32.26 +/- 4.35   0.009% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  25.65 +/- 4.31   0.021% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  34.16 +/- 5.64   0.009% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.85 +/- 4.34   0.019% *  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 = 0.865, support = 3.38, residual support = 46.9:
    * O T HA    MET   11 - QB    MET   11   2.39 +/- 0.14  33.214% * 74.9946% (1.00  10.0 10.00   3.36  48.35) =  83.910%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.27 +/- 0.40  40.641% * 10.0054% (0.13  10.0 10.00   3.62  45.21) =  13.698%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.05 +/- 0.92   4.842% *  7.4329% (0.10   1.0 10.00   2.47   1.74) =   1.212%  kept
          HA    ALA   12 - QB    MET   11   4.06 +/- 0.42   7.436% *  4.5558% (0.53   1.0  1.00   2.31  11.90) =   1.141%  kept
        T HA    GLU-  14 - QB    MET   11   8.22 +/- 1.75   1.818% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.019%
        T HA    MET   11 - QG    GLU-  14   9.07 +/- 1.84   1.044% *  0.2434% (0.32   1.0 10.00   0.02   0.02) =   0.009%
        T HA    MET   11 - QG    GLU-  15  11.83 +/- 1.49   0.342% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QB    MET   11  23.82 +/- 4.49   0.063% *  0.7483% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  79 - QB    MET   11  25.37 +/- 6.98   0.073% *  0.4246% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  18.70 +/- 5.05   0.149% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.00 +/- 1.03   2.097% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  20.22 +/- 3.80   0.085% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QB    MET   11  31.43 +/- 8.23   0.442% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG    GLU-  14  15.40 +/- 4.63   0.888% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.92 +/- 7.62   0.128% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  12.35 +/- 5.36   1.032% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  21.48 +/- 7.58   0.919% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.58 +/- 1.27   0.713% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.70 +/- 7.24   0.363% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.50 +/- 6.55   0.079% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  28.52 +/- 7.49   0.374% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  24.77 +/- 5.07   0.061% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  22.49 +/- 8.12   0.327% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.32 +/- 3.66   0.086% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  29.23 +/- 6.90   0.114% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.43 +/- 3.87   0.158% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.99 +/- 4.07   0.109% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  28.61 +/- 8.31   0.116% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  27.76 +/- 8.71   0.230% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.63 +/- 5.30   0.083% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.68 +/- 1.27   0.428% *  0.0045% (0.06   1.0  1.00   0.02   1.05) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.96 +/- 6.04   0.485% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  20.11 +/- 6.47   0.373% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  22.57 +/- 6.47   0.132% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  28.11 +/- 3.51   0.023% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  24.93 +/- 6.63   0.094% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  17.02 +/- 2.44   0.109% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  31.46 +/- 6.80   0.029% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.42 +/- 1.77   0.042% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  22.23 +/- 3.72   0.055% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.37 +/- 2.34   0.021% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  29.07 +/- 3.37   0.021% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  21.19 +/- 3.85   0.065% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  28.51 +/- 3.81   0.024% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  33.36 +/- 4.80   0.015% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  31.52 +/- 5.78   0.022% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.04 +/- 2.61   0.010% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.30 +/- 3.17   0.023% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.83, support = 3.29, residual support = 46.7:
    * O T HG2   MET   11 - QB    MET   11   2.34 +/- 0.13  43.860% * 62.8007% (1.00  10.0 10.00   3.31  48.35) =  75.051%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.39 +/- 0.14  41.627% * 20.3350% (0.32  10.0 10.00   3.31  45.21) =  23.064%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.49 +/- 0.87   4.457% * 15.1066% (0.24   1.0 10.00   2.22   1.74) =   1.835%  kept
        T HB2   GLU-  14 - QB    MET   11   8.49 +/- 1.69   1.537% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.026%
        T HG2   MET   11 - QG    GLU-  14   9.40 +/- 2.43   3.257% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.018%
        T HG2   MET   11 - QG    GLU-  15  12.15 +/- 1.79   0.387% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HG3   GLU-  36  21.85 +/- 7.60   0.730% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - QB    MET   11  25.09 +/- 7.12   0.428% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HG3   GLU-  36  17.49 +/- 5.51   0.264% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - QB    MET   11  29.46 +/- 7.06   0.076% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  13.95 +/- 6.27   1.965% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  19.84 +/- 5.24   0.157% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  31.65 +/- 6.87   0.039% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.30 +/- 3.96   0.118% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  28.87 +/- 3.27   0.027% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  27.04 +/- 3.83   0.038% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  16.26 +/- 4.84   0.232% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  26.31 +/- 4.60   0.048% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.20 +/- 2.77   0.075% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.37 +/- 2.19   0.013% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  26.41 +/- 3.46   0.036% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  29.21 +/- 3.92   0.027% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  23.40 +/- 3.82   0.058% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  22.29 +/- 5.09   0.076% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  28.36 +/- 4.50   0.031% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.34 +/- 4.90   0.206% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  29.63 +/- 5.16   0.031% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  34.24 +/- 3.44   0.016% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  24.27 +/- 4.47   0.078% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.16 +/- 3.89   0.045% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  27.74 +/- 3.22   0.033% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  27.62 +/- 2.30   0.029% *  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 = 0.805, support = 3.26, residual support = 45.8:
    * O T HG3   MET   11 - QB    MET   11   2.42 +/- 0.13  38.682% * 64.2177% (1.00  10.0 10.00   3.31  48.35) =  72.277%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.14  41.507% * 19.7139% (0.31  10.0 10.00   3.31  45.21) =  23.808%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.16 +/- 1.12   9.075% * 14.6452% (0.23   1.0 10.00   2.10   1.74) =   3.867%  kept
        T HB3   GLU-  14 - QB    MET   11   8.81 +/- 1.84   1.692% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.030%
        T HG3   MET   11 - QG    GLU-  14   9.83 +/- 2.39   2.000% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   MET   11 - HG3   GLU-  36  22.30 +/- 7.27   0.953% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   MET   11 - QG    GLU-  15  12.72 +/- 1.77   0.352% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   GLU-  14 - HG3   GLU-  36  17.42 +/- 5.38   0.309% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - QB    MET   11  24.59 +/- 7.33   0.452% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.44 +/- 3.35   0.601% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.93 +/- 5.45   0.074% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  12.58 +/- 4.09   0.644% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.19 +/- 3.41   0.154% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.67 +/- 3.07   1.108% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  18.54 +/- 5.10   0.272% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  27.01 +/- 4.54   0.046% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  24.36 +/- 4.49   0.060% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.51 +/- 3.57   0.179% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.59 +/- 4.02   0.118% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.86 +/- 3.20   0.455% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  12.63 +/- 2.74   0.552% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.60 +/- 4.43   0.113% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  29.99 +/- 5.14   0.032% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.65 +/- 3.06   0.076% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  12.13 +/- 1.31   0.362% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.21 +/- 2.50   0.084% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  28.49 +/- 3.59   0.029% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.24 +/- 2.80   0.021% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.12 +/- 0.02  96.829% * 99.1918% (0.82  10.0 10.00   2.00  12.46) =  99.997%  kept
          HG3   LYS+ 102 - HA    ALA   12  28.78 +/- 8.00   0.966% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    ALA   12  17.08 +/- 5.05   0.625% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ALA   12  19.85 +/- 5.02   0.241% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  19.96 +/- 5.33   0.402% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.36 +/- 4.56   0.205% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  21.87 +/- 5.53   0.151% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.54 +/- 3.45   0.119% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  26.27 +/- 6.36   0.187% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  31.41 +/- 5.93   0.071% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  29.08 +/- 4.96   0.065% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  28.10 +/- 7.67   0.087% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  28.54 +/- 3.88   0.050% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.816, support = 2.01, residual support = 12.5:
    * O T HA    ALA   12 - QB    ALA   12   2.12 +/- 0.02  81.502% * 95.6308% (0.82  10.0 10.00   2.00  12.46) =  99.276%  kept
          HA    MET   11 - QB    ALA   12   3.83 +/- 0.19  14.206% *  3.9711% (0.24   1.0  1.00   2.89  11.90) =   0.719%  kept
          HA    GLU-  14 - QB    ALA   12   6.40 +/- 0.71   3.505% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  104 - QB    ALA   12  23.30 +/- 5.16   0.205% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.94 +/- 7.36   0.124% *  0.0989% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  29.15 +/- 6.83   0.153% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.47 +/- 4.31   0.122% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  24.02 +/- 5.94   0.113% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  29.44 +/- 6.88   0.070% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.11, residual support = 12.5:
    * O T QB    SER   13 - HA    SER   13   2.39 +/- 0.15  50.978% * 63.5958% (1.00  10.0 10.00   1.93   6.27) =  73.043%  kept
      O T HB3   SER   37 - HA    SER   37   2.70 +/- 0.25  36.859% * 32.1465% (0.51  10.0 10.00   2.60  29.68) =  26.696%  kept
          HB    THR   39 - HA    SER   37   5.47 +/- 0.83   5.338% *  2.0519% (0.53   1.0  1.00   1.21   4.58) =   0.247%  kept
        T HB3   SER   37 - HA    SER   13  16.63 +/- 5.93   0.468% *  0.6016% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T QB    SER   13 - HA    SER   37  15.18 +/- 5.33   0.522% *  0.3398% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    THR   46  10.12 +/- 2.56   1.876% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER   13 - HA    THR   46  24.77 +/- 3.83   0.060% *  0.3849% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  17.21 +/- 5.49   0.299% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  25.01 +/- 1.44   0.047% *  0.3641% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  13.37 +/- 4.86   0.899% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.37 +/- 1.58   1.099% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.49 +/- 1.64   0.209% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.72 +/- 1.93   0.254% *  0.0233% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  11.39 +/- 1.70   0.573% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  24.05 +/- 4.42   0.101% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.10 +/- 8.61   0.059% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.44 +/- 1.32   0.064% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  32.12 +/- 5.59   0.030% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  21.93 +/- 3.23   0.081% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.69 +/- 4.84   0.040% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  31.07 +/- 3.63   0.027% *  0.0321% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  22.26 +/- 3.12   0.073% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  32.89 +/- 4.53   0.024% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.77 +/- 1.32   0.018% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.869, support = 2.12, residual support = 12.8:
    * O T HA    SER   13 - QB    SER   13   2.39 +/- 0.15  46.793% * 63.8850% (1.00  10.0 10.00   1.93   6.27) =  72.289%  kept
      O T HA    SER   37 - HB3   SER   37   2.70 +/- 0.25  33.865% * 33.8056% (0.53  10.0 10.00   2.60  29.68) =  27.684%  kept
        T HA    SER   13 - HB3   SER   37  16.63 +/- 5.93   0.432% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  15 - QB    SER   13   6.69 +/- 1.03   3.223% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   37 - QB    SER   13  15.18 +/- 5.33   0.480% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU   40 - HB3   SER   37   7.58 +/- 1.79   2.867% *  0.0565% (0.88   1.0  1.00   0.02   0.75) =   0.004%
          HA    GLU-  15 - HB3   SER   37  14.05 +/- 5.93   1.096% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QB    SER   13   9.73 +/- 1.90   1.188% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  15.79 +/- 5.30   1.153% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB3   SER   37   9.60 +/- 3.27   4.055% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.71 +/- 0.68   2.385% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.77 +/- 3.83   0.055% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    SER   13  19.36 +/- 6.72   0.969% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QB    SER   13  16.04 +/- 3.64   0.291% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  25.01 +/- 1.44   0.043% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  14.66 +/- 3.77   0.492% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.27 +/- 4.32   0.106% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.95 +/- 6.95   0.179% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.47 +/- 2.43   0.049% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  18.74 +/- 3.77   0.163% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.90 +/- 3.93   0.081% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.80 +/- 1.82   0.036% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.856, support = 3.29, residual support = 45.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.82 +/- 0.19  50.745% * 70.8449% (1.00  10.0 10.00   3.07  45.21) =  76.357%  kept
      O T HG2   MET   11 - HA    MET   11   3.22 +/- 0.66  40.018% * 27.7398% (0.39  10.0 10.00   4.00  48.35) =  23.578%  kept
        T HG2   MET   11 - HA    GLU-  14   9.91 +/- 2.16   3.243% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.049%
        T HB2   GLU-  14 - HA    MET   11   9.74 +/- 1.72   2.462% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.015%
          HG2   PRO   58 - HA    MET   11  28.48 +/- 7.86   0.579% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  13.98 +/- 4.00   1.335% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.69 +/- 4.33   0.183% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  17.51 +/- 5.69   0.379% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  30.13 +/- 4.10   0.057% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  33.35 +/- 7.79   0.111% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  32.52 +/- 4.29   0.039% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.00 +/- 3.84   0.077% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.65 +/- 5.44   0.474% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  22.76 +/- 5.81   0.196% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  35.81 +/- 7.55   0.046% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  29.71 +/- 4.89   0.055% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.887, support = 3.48, residual support = 41.8:
    * O T QG    GLU-  14 - HA    GLU-  14   2.27 +/- 0.40  48.467% * 45.0668% (1.00  10.0 10.00   3.62  45.21) =  77.040%  kept
      O T QB    MET   11 - HA    MET   11   2.39 +/- 0.14  39.770% * 10.0127% (0.22  10.0 10.00   3.36  48.35) =  14.045%  kept
        T QG    GLU-  15 - HA    GLU-  14   5.05 +/- 0.92   5.790% * 43.4925% (0.97   1.0 10.00   2.47   1.74) =   8.883%  kept
        T QB    MET   11 - HA    GLU-  14   8.22 +/- 1.75   2.182% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.020%
        T QG    GLU-  14 - HA    MET   11   9.07 +/- 1.84   1.265% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  15 - HA    MET   11  11.83 +/- 1.49   0.414% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  44 - HA    GLU-  14  21.23 +/- 4.30   0.078% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU-  14  14.62 +/- 4.78   0.904% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.77 +/- 5.15   0.058% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  16.54 +/- 4.41   0.175% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  21.60 +/- 3.75   0.091% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  18.38 +/- 5.93   0.420% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  29.51 +/- 5.85   0.048% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  26.13 +/- 6.80   0.161% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.76 +/- 3.79   0.070% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  32.03 +/- 7.01   0.061% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.35 +/- 4.13   0.025% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  33.81 +/- 5.84   0.021% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.901, support = 3.17, residual support = 45.1:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.82 +/- 0.19  41.471% * 80.7037% (1.00  10.0 10.00   3.07  45.21) =  87.885%  kept
      O T HA    MET   11 - HG2   MET   11   3.22 +/- 0.66  33.241% * 12.4245% (0.15  10.0 10.00   4.00  48.35) =  10.845%  kept
          HA    ALA   12 - HG2   MET   11   5.36 +/- 0.88   9.758% *  4.3531% (0.37   1.0  1.00   2.94  11.90) =   1.115%  kept
          HA    ALA   12 - HB2   GLU-  14   7.22 +/- 0.94   3.263% *  1.3196% (0.98   1.0  1.00   0.33   0.02) =   0.113%  kept
        T HA    GLU-  14 - HG2   MET   11   9.91 +/- 2.16   2.678% *  0.3022% (0.37   1.0 10.00   0.02   0.02) =   0.021%
        T HA    MET   11 - HB2   GLU-  14   9.74 +/- 1.72   2.015% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.018%
          HA    ASP-  86 - HG2   MET   11  35.71 +/- 9.69   0.471% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  31.79 +/- 8.28   0.175% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.91 +/- 4.21   3.529% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  24.43 +/- 4.71   0.152% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.28 +/- 4.78   0.332% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  30.13 +/- 4.10   0.046% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  33.35 +/- 7.79   0.088% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.10 +/- 6.03   0.149% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.34 +/- 4.25   0.113% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  23.48 +/- 5.12   0.191% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.04 +/- 5.52   0.571% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  32.00 +/- 7.62   0.175% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.62 +/- 7.52   0.070% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.00 +/- 2.41   0.391% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  29.89 +/- 5.37   0.062% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  36.14 +/- 8.88   0.303% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.24 +/- 8.98   0.114% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.06 +/- 3.63   0.089% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.40 +/- 4.58   0.073% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  30.34 +/- 7.30   0.083% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.21 +/- 6.24   0.053% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  28.60 +/- 5.37   0.082% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  21.70 +/- 4.56   0.182% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.40 +/- 3.14   0.082% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.864, support = 3.22, residual support = 42.3:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.14  41.295% * 45.4322% (1.00  10.0 10.00   3.31  45.21) =  75.339%  kept
      O T QB    MET   11 - HG2   MET   11   2.34 +/- 0.13  43.514% *  9.6322% (0.21  10.0 10.00   3.31  48.35) =  16.831%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.49 +/- 0.87   4.422% * 43.8452% (0.97   1.0 10.00   2.22   1.74) =   7.786%  kept
        T QG    GLU-  14 - HG2   MET   11   9.40 +/- 2.43   3.231% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.022%
        T QB    MET   11 - HB2   GLU-  14   8.49 +/- 1.69   1.528% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.016%
        T QG    GLU-  15 - HG2   MET   11  12.15 +/- 1.79   0.384% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HB2   GLU-  14  14.39 +/- 5.21   2.314% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  16.62 +/- 4.28   0.195% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.30 +/- 1.37   0.173% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  21.18 +/- 4.34   0.085% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.43 +/- 3.56   0.505% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  29.46 +/- 7.06   0.075% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  27.04 +/- 3.83   0.038% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  21.89 +/- 3.07   0.080% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  26.41 +/- 3.46   0.036% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.30 +/- 2.54   0.314% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  19.09 +/- 5.74   0.364% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  29.38 +/- 6.16   0.039% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  26.38 +/- 6.36   0.128% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.16 +/- 3.93   0.084% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.13 +/- 4.69   0.202% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.18 +/- 4.95   0.074% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  13.34 +/- 3.29   0.805% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.44 +/- 7.23   0.044% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.26 +/- 4.39   0.025% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  34.29 +/- 5.62   0.019% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  29.80 +/- 4.29   0.026% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.908, support = 3.49, residual support = 41.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.27 +/- 0.40  42.176% * 48.1422% (1.00  10.0 10.00   3.62  45.21) =  81.903%  kept
      O T HA    MET   11 - QB    MET   11   2.39 +/- 0.14  34.461% *  6.4229% (0.13  10.0 10.00   3.36  48.35) =   8.928%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.05 +/- 0.92   5.025% * 42.3578% (0.88   1.0 10.00   2.47   1.74) =   8.586%  kept
          HA    ALA   12 - QB    MET   11   4.06 +/- 0.42   7.712% *  1.7682% (0.32   1.0  1.00   2.31  11.90) =   0.550%  kept
        T HA    GLU-  14 - QB    MET   11   8.22 +/- 1.75   1.887% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.012%
        T HA    MET   11 - QG    GLU-  14   9.07 +/- 1.84   1.082% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA   12 - QG    GLU-  14   7.00 +/- 1.03   2.173% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T HA    MET   11 - QG    GLU-  15  11.83 +/- 1.49   0.355% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   12 - QG    GLU-  15   9.58 +/- 1.27   0.740% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  18.70 +/- 5.05   0.154% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG    GLU-  14  28.52 +/- 7.49   0.387% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  20.22 +/- 3.80   0.088% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG    GLU-  15  27.76 +/- 8.71   0.239% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  31.43 +/- 8.23   0.457% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.70 +/- 7.24   0.377% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.82 +/- 4.49   0.066% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  27.66 +/- 8.09   0.567% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  28.71 +/- 7.05   0.468% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  21.99 +/- 3.97   0.078% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.40 +/- 2.82   0.086% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  29.23 +/- 6.90   0.118% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  28.61 +/- 8.31   0.120% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.43 +/- 3.87   0.164% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.63 +/- 5.30   0.086% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.99 +/- 4.07   0.113% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.72 +/- 7.76   0.492% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.92 +/- 7.62   0.132% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  25.91 +/- 5.16   0.050% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.50 +/- 6.55   0.082% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  24.77 +/- 5.07   0.064% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.85, support = 3.15, residual support = 40.1:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.14  43.259% * 45.1588% (1.00  10.0 10.00   3.31  45.21) =  67.609%  kept
      O T HG3   MET   11 - QB    MET   11   2.42 +/- 0.13  40.317% * 13.8631% (0.31  10.0 10.00   3.31  48.35) =  19.343%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.16 +/- 1.12   9.455% * 39.7329% (0.88   1.0 10.00   2.10   1.74) =  13.001%  kept
        T HG3   MET   11 - QG    GLU-  14   9.83 +/- 2.39   2.085% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.031%
        T HB3   GLU-  14 - QB    MET   11   8.81 +/- 1.84   1.764% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   MET   11 - QG    GLU-  15  12.72 +/- 1.77   0.367% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU   40 - QG    GLU-  14  15.44 +/- 3.35   0.627% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  12.58 +/- 4.09   0.671% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  18.54 +/- 5.10   0.283% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.59 +/- 4.02   0.123% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.93 +/- 5.45   0.077% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  27.01 +/- 4.54   0.048% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  24.59 +/- 7.33   0.471% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.60 +/- 4.43   0.117% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.19 +/- 3.41   0.161% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.65 +/- 3.06   0.079% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  24.36 +/- 4.49   0.062% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  29.99 +/- 5.14   0.033% *  0.0023% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.993, support = 2.19, residual support = 8.46:
    * O T QG    GLU-  15 - HA    GLU-  15   2.66 +/- 0.57  60.904% * 49.8424% (1.00  10.0 10.00   2.08  10.10) =  80.372%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.83 +/- 0.68  15.375% * 48.1014% (0.97   1.0 10.00   2.66   1.74) =  19.580%  kept
        T QG    GLU-  15 - HA    LEU   40  13.12 +/- 3.98   1.130% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.012%
        T QB    MET   11 - HA    GLU-  15  11.06 +/- 1.63   1.224% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T QG    GLU-  14 - HA    LEU   40  16.00 +/- 3.33   0.526% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PHE   72 - HA    LEU   40   8.06 +/- 1.86   4.500% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.004%
        T QG    GLU-  15 - HA    ASN   35  12.76 +/- 3.22   1.137% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.003%
        T QB    MET   11 - HA    LEU   40  19.91 +/- 3.42   0.270% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HA    GLU-  15  13.29 +/- 4.54   6.850% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  15  13.94 +/- 5.82   1.252% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HA    ASN   35  15.51 +/- 3.01   0.617% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  18.62 +/- 3.78   0.667% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.74 +/- 1.07   0.696% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  19.00 +/- 5.42   0.367% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  14.66 +/- 4.30   0.682% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  13.32 +/- 2.32   1.071% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.61 +/- 2.69   0.251% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  28.09 +/- 6.75   0.142% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  23.32 +/- 2.46   0.149% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  14.46 +/- 1.54   0.538% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  19.17 +/- 1.63   0.238% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.38 +/- 0.77   0.787% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  20.76 +/- 4.65   0.209% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  28.30 +/- 3.80   0.101% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  22.37 +/- 1.77   0.143% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  28.39 +/- 4.98   0.102% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.65 +/- 2.98   0.072% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 3.05, residual support = 9.68:
    * O T QB    GLU-  15 - HA    GLU-  15   2.40 +/- 0.16  60.716% * 72.0428% (1.00  10.0 10.00   3.15  10.10) =  95.858%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.23 +/- 0.87   7.452% * 25.0474% (1.00   1.0 10.00   0.70   0.02) =   4.091%  kept
        T HB3   PRO   68 - HA    GLU-  15  15.49 +/- 6.65   1.088% *  0.5769% (0.80   1.0 10.00   0.02   0.02) =   0.014%
        T QB    GLU-  15 - HA    LEU   40  13.27 +/- 4.22   0.752% *  0.5826% (0.81   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLN   17 - HA    LEU   40  15.10 +/- 4.52   0.622% *  0.5826% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   68 - HA    LEU   40  12.23 +/- 1.57   0.678% *  0.4665% (0.65   1.0 10.00   0.02   0.02) =   0.007%
          HG3   GLN   30 - HA    GLU-  15  11.57 +/- 3.88   5.657% *  0.0296% (0.41   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   8.20 +/- 1.67   2.842% *  0.0408% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    LEU   40  13.05 +/- 2.98   1.192% *  0.0330% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  11.36 +/- 2.03   1.509% *  0.0240% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLU-  15  17.01 +/- 4.60   0.504% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LEU   40  11.84 +/- 2.22   1.089% *  0.0284% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    LEU   40   9.48 +/- 1.66   2.765% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40   9.39 +/- 2.08   2.030% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  15  15.80 +/- 6.03   0.675% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLU-  15  11.42 +/- 3.40   1.188% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   9.19 +/- 2.55   2.955% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.09 +/- 3.27   0.604% *  0.0134% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.33 +/- 1.47   0.132% *  0.0551% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.29 +/- 1.99   0.189% *  0.0377% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  16.23 +/- 3.13   0.504% *  0.0134% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  21.89 +/- 1.86   0.088% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  16.31 +/- 3.63   0.457% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.22 +/- 1.49   0.859% *  0.0055% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.09 +/- 4.58   0.406% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  16.22 +/- 3.92   0.538% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.63 +/- 2.26   0.068% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.57 +/- 1.23   1.347% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  28.54 +/- 3.42   0.040% *  0.0714% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.48 +/- 1.79   0.338% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.65 +/- 3.09   0.153% *  0.0160% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.08 +/- 1.11   0.151% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  20.63 +/- 2.96   0.127% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  22.91 +/- 2.86   0.084% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  28.21 +/- 2.82   0.042% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  21.87 +/- 5.03   0.158% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.977, support = 2.18, residual support = 8.53:
    * O T HA    GLU-  15 - QG    GLU-  15   2.66 +/- 0.57  44.088% * 48.5935% (1.00  10.0 10.00   2.08  10.10) =  80.406%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.83 +/- 0.68  10.915% * 42.7549% (0.88   1.0 10.00   2.66   1.74) =  17.515%  kept
          HA    SER   13 - QG    GLU-  14   5.20 +/- 0.45   7.783% *  5.4731% (0.88   1.0  1.00   2.56   6.63) =   1.599%  kept
          HA    SER   13 - QG    GLU-  15   7.05 +/- 1.18   7.820% *  1.4842% (1.00   1.0  1.00   0.61   0.02) =   0.436%  kept
        T HA    LEU   40 - QG    GLU-  15  13.12 +/- 3.98   0.757% *  0.4597% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HA    LEU   40 - QG    GLU-  14  16.00 +/- 3.33   0.370% *  0.4044% (0.83   1.0 10.00   0.02   0.02) =   0.006%
          HA    SER   37 - QG    GLU-  15  12.78 +/- 5.83   4.059% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG    GLU-  15   6.83 +/- 0.76   3.938% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  15 - QB    MET   11  11.06 +/- 1.63   0.825% *  0.1172% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - QG    GLU-  15  12.76 +/- 3.22   0.771% *  0.1082% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  14   7.85 +/- 1.47   2.484% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.17 +/- 0.61   4.700% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QG    GLU-  14  15.51 +/- 3.01   0.428% *  0.0952% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QG    GLU-  14  18.57 +/- 5.11   1.371% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QB    MET   11  19.91 +/- 3.42   0.169% *  0.1108% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    MET   11  21.58 +/- 7.77   4.152% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG    GLU-  14  15.78 +/- 5.38   0.562% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - QB    MET   11  18.62 +/- 3.78   0.405% *  0.0261% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  13.29 +/- 2.81   1.312% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  20.10 +/- 3.50   0.167% *  0.0485% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  21.07 +/- 4.26   0.166% *  0.0427% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  16.76 +/- 4.69   0.389% *  0.0166% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  24.04 +/- 6.89   0.377% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  23.04 +/- 5.32   0.134% *  0.0314% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  23.99 +/- 3.97   0.092% *  0.0277% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  15.74 +/- 2.81   0.369% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  19.19 +/- 5.26   0.355% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  22.82 +/- 3.50   0.104% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.69 +/- 3.02   0.217% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  23.84 +/- 3.79   0.108% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  26.56 +/- 6.77   0.332% *  0.0029% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  26.99 +/- 5.52   0.076% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  22.56 +/- 3.87   0.203% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 84.6:
    * O T HB2   GLN   17 - HA    GLN   17   2.78 +/- 0.25  77.796% * 89.6590% (1.00  10.0 10.00   4.16  85.40) =  99.035%  kept
        T QB    GLU-  15 - HA    GLN   17   6.51 +/- 0.59   7.075% *  9.2087% (1.00   1.0 10.00   0.21   0.02) =   0.925%  kept
        T HB3   PRO   68 - HA    GLN   17  14.04 +/- 7.76   3.206% *  0.7179% (0.80   1.0 10.00   0.02   0.02) =   0.033%
          HB    ILE   19 - HA    GLN   17   8.09 +/- 0.58   3.612% *  0.0508% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HA    GLN   17  14.05 +/- 6.95   2.114% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLN   17  12.05 +/- 3.30   2.059% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  17.19 +/- 4.10   0.824% *  0.0848% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLN   17  11.75 +/- 3.25   2.116% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  21.37 +/- 3.59   0.231% *  0.0580% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  25.91 +/- 4.78   0.126% *  0.0889% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  17.90 +/- 3.93   0.476% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.10 +/- 4.03   0.364% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.4:
    * O T QG    GLN   17 - HA    GLN   17   2.51 +/- 0.52  91.723% * 98.5118% (0.76  10.0 10.00   4.31  85.40) =  99.952%  kept
        T HB    VAL   70 - HA    GLN   17  12.22 +/- 7.19   3.629% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.043%
          HB2   MET   96 - HA    GLN   17  18.16 +/- 6.52   1.761% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HA    GLN   17  19.35 +/- 9.04   1.136% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLN   17  16.99 +/- 3.47   0.852% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLN   17  19.20 +/- 3.73   0.574% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLN   17  20.20 +/- 3.36   0.325% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.197, support = 3.6, residual support = 47.7:
    * O T HA    GLN   17 - HB2   GLN   17   2.78 +/- 0.25  31.161% * 52.1567% (0.24  10.0 10.00   4.16  85.40) =  50.203%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.40 +/- 0.16  46.666% * 33.1441% (0.15  10.0 10.00   3.15  10.10) =  47.777%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.23 +/- 0.87   5.917% * 10.2664% (0.14   1.0 10.00   0.70   0.02) =   1.876%  kept
        T HA    GLN   17 - QB    GLU-  15   6.51 +/- 0.59   2.604% *  0.5854% (0.27   1.0 10.00   0.02   0.02) =   0.047%
        T HA    GLN   17 - HB3   PRO   68  14.04 +/- 7.76   1.156% *  1.3086% (0.61   1.0 10.00   0.02   0.02) =   0.047%
        T HA    GLU-  15 - HB3   PRO   68  15.49 +/- 6.65   0.927% *  0.7409% (0.34   1.0 10.00   0.02   0.02) =   0.021%
        T HA    LEU   40 - HB3   PRO   68  12.23 +/- 1.57   0.518% *  0.4911% (0.23   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LEU   40 - QB    GLU-  15  13.27 +/- 4.22   0.571% *  0.2197% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   37 - QB    GLU-  15  13.26 +/- 5.80   1.805% *  0.0585% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - QB    GLU-  15   6.41 +/- 0.79   2.940% *  0.0331% (0.15   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - HB2   GLN   17  15.10 +/- 4.52   0.432% *  0.1957% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   GLN   17   8.73 +/- 1.96   2.781% *  0.0295% (0.14   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - HB3   PRO   68  15.86 +/- 2.62   0.260% *  0.1309% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   68  19.34 +/- 3.28   0.246% *  0.1297% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  13.37 +/- 1.90   0.342% *  0.0794% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   PRO   68  14.95 +/- 1.78   0.244% *  0.0688% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   GLN   17  17.15 +/- 4.74   0.305% *  0.0522% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  18.76 +/- 5.42   0.185% *  0.0741% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  15.77 +/- 4.50   0.260% *  0.0355% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  16.39 +/- 5.27   0.290% *  0.0316% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  22.86 +/- 5.12   0.072% *  0.0580% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  22.85 +/- 6.43   0.080% *  0.0517% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  19.39 +/- 5.18   0.128% *  0.0274% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.99 +/- 3.64   0.111% *  0.0308% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.201, support = 4.23, residual support = 79.9:
    * O T QG    GLN   17 - HB2   GLN   17   2.34 +/- 0.11  67.005% * 38.2621% (0.18  10.0 10.00   4.47  85.40) =  93.468%  kept
        T HB    VAL   70 - HB3   PRO   68   7.20 +/- 0.79   2.644% * 52.0391% (0.51   1.0 10.00   0.99   1.02) =   5.016%  kept
        T QG    GLN   17 - QB    GLU-  15   5.72 +/- 1.02   8.509% *  4.4110% (0.21   1.0 10.00   0.21   0.02) =   1.368%  kept
        T QG    GLN   17 - HB3   PRO   68  13.02 +/- 6.46   1.627% *  0.9600% (0.46   1.0 10.00   0.02   0.02) =   0.057%
        T HB    VAL   70 - QB    GLU-  15  13.17 +/- 5.18   1.421% *  0.4694% (0.23   1.0 10.00   0.02   0.02) =   0.024%
        T HB    VAL   70 - HB2   GLN   17  13.40 +/- 5.97   1.145% *  0.4182% (0.20   1.0 10.00   0.02   0.02) =   0.017%
          HB3   ASP-  76 - QB    GLU-  15  19.33 +/- 7.88  13.787% *  0.0318% (0.15   1.0  1.00   0.02   0.02) =   0.016%
        T HG2   GLU- 100 - HB3   PRO   68  18.44 +/- 4.05   0.241% *  0.8126% (0.39   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   GLU-  25 - HB2   GLN   17  15.86 +/- 4.09   0.459% *  0.3239% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - QB    GLU-  15  15.87 +/- 3.35   0.404% *  0.3635% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - HB3   PRO   68  23.46 +/- 5.29   0.162% *  0.8126% (0.39   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   GLU- 100 - QB    GLU-  15  16.96 +/- 3.23   0.263% *  0.3635% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   GLU- 100 - HB2   GLN   17  20.00 +/- 3.52   0.165% *  0.3239% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HB3   PRO   68  16.72 +/- 2.41   0.225% *  0.1245% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLN   17  19.11 +/- 5.63   0.469% *  0.0496% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - QB    GLU-  15  18.24 +/- 5.01   0.344% *  0.0557% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  18.95 +/- 3.52   0.223% *  0.0711% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   GLN   17  19.23 +/- 8.57   0.426% *  0.0283% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.75 +/- 3.20   0.236% *  0.0428% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  20.14 +/- 2.52   0.133% *  0.0192% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.46 +/- 2.96   0.113% *  0.0171% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 85.1:
    * O T HA    GLN   17 - QG    GLN   17   2.51 +/- 0.52  58.134% * 98.3834% (0.76  10.0 10.00   4.31  85.40) =  99.651%  kept
          HA    GLU-  15 - QG    GLN   17   5.26 +/- 1.12  20.571% *  0.9218% (0.43   1.0  1.00   0.33   0.02) =   0.330%  kept
        T HA    GLN   17 - HB    VAL   70  12.22 +/- 7.19   2.051% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.007%
          HA    SER   13 - QG    GLN   17   8.24 +/- 2.23   6.105% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.006%
          HA    SER   37 - QG    GLN   17  15.39 +/- 4.07   0.899% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB    VAL   70   7.65 +/- 1.81   3.771% *  0.0122% (0.09   1.0  1.00   0.02   0.56) =   0.001%
          HA    VAL   42 - QG    GLN   17  14.73 +/- 4.95   0.743% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG    GLN   17  13.54 +/- 4.15   1.125% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB    VAL   70   7.60 +/- 1.30   3.495% *  0.0076% (0.06   1.0  1.00   0.02  36.10) =   0.000%
          HA    THR   46 - QG    GLN   17  20.50 +/- 5.89   0.192% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  17.34 +/- 5.22   0.292% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  14.14 +/- 5.42   0.956% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  14.02 +/- 1.82   0.453% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.54 +/- 1.79   0.368% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.13 +/- 1.48   0.546% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  17.66 +/- 3.88   0.298% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.42, residual support = 84.3:
    * O T HB2   GLN   17 - QG    GLN   17   2.34 +/- 0.11  64.947% * 88.1297% (0.76  10.0 10.00   4.47  85.40) =  98.675%  kept
        T QB    GLU-  15 - QG    GLN   17   5.72 +/- 1.02   8.132% *  9.0516% (0.76   1.0 10.00   0.21   0.02) =   1.269%  kept
        T HB3   PRO   68 - QG    GLN   17  13.02 +/- 6.46   1.552% *  0.7057% (0.61   1.0 10.00   0.02   0.02) =   0.019%
        T HB3   GLU-  25 - QG    GLN   17  14.99 +/- 4.47   1.039% *  0.8337% (0.72   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   PRO   68 - HB    VAL   70   7.20 +/- 0.79   2.545% *  0.1445% (0.13   1.0 10.00   0.02   1.02) =   0.006%
        T QB    GLU-  15 - HB    VAL   70  13.17 +/- 5.18   1.356% *  0.1805% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HB    VAL   70  13.40 +/- 5.97   1.093% *  0.1805% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - QG    GLN   17   7.48 +/- 1.30   2.780% *  0.0499% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QG    GLN   17  13.09 +/- 5.84   1.486% *  0.0429% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB    VAL   70   6.45 +/- 1.40   6.785% *  0.0088% (0.08   1.0  1.00   0.02   1.02) =   0.001%
        T HB3   GLU- 100 - QG    GLN   17  18.73 +/- 3.67   0.286% *  0.1962% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QG    GLN   17  10.89 +/- 2.92   1.535% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG    GLN   17  10.74 +/- 2.82   1.442% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  20.37 +/- 2.59   0.116% *  0.1708% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  16.03 +/- 2.74   0.429% *  0.0402% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.97 +/- 3.40   0.146% *  0.0570% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  12.76 +/- 3.87   0.755% *  0.0102% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  24.07 +/- 4.42   0.086% *  0.0873% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.89 +/- 4.07   0.380% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.33 +/- 2.70   0.658% *  0.0074% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.70 +/- 2.60   1.066% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.74 +/- 1.90   0.266% *  0.0117% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.34 +/- 3.63   0.981% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  19.54 +/- 2.48   0.141% *  0.0179% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.3:
    * O T HB    VAL   18 - HA    VAL   18   2.66 +/- 0.23  85.591% * 99.6862% (1.00  10.0 10.00   3.55  76.31) =  99.990%  kept
          HB2   LEU   67 - HA    VAL   18  11.75 +/- 8.44   5.472% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   40 - HA    VAL   18  12.54 +/- 4.76   7.990% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU  115 - HA    VAL   18  18.82 +/- 4.25   0.420% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  23.47 +/- 4.64   0.188% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  19.62 +/- 4.67   0.339% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.1:
    * O T QG1   VAL   18 - HA    VAL   18   2.35 +/- 0.29  85.165% * 97.0285% (1.00  10.0 10.00   4.12  76.31) =  99.786%  kept
          QD1   LEU   71 - HA    VAL   18  10.28 +/- 5.39   7.511% *  1.8063% (0.84   1.0  1.00   0.45   0.02) =   0.164%  kept
        T QG1   VAL   70 - HA    VAL   18  10.31 +/- 4.60   4.160% *  0.9511% (0.98   1.0 10.00   0.02   0.02) =   0.048%
          HB3   LEU   63 - HA    VAL   18  11.83 +/- 5.71   1.910% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   18  13.72 +/- 3.47   0.769% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  18.22 +/- 2.42   0.251% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  19.70 +/- 3.61   0.236% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.12, residual support = 72.5:
    * O T QG2   VAL   18 - HA    VAL   18   2.91 +/- 0.41  55.384% * 85.1007% (1.00  10.0 10.00   4.10  76.31) =  92.941%  kept
          QD1   ILE   19 - HA    VAL   18   4.41 +/- 1.05  26.159% * 13.5862% (0.73   1.0  1.00   4.40  22.56) =   7.008%  kept
        T QG1   VAL   41 - HA    VAL   18  11.74 +/- 4.25   1.735% *  0.6504% (0.76   1.0 10.00   0.02   0.02) =   0.022%
          QG1   VAL   43 - HA    VAL   18  12.12 +/- 6.15  14.046% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.022%
        T QD2   LEU  104 - HA    VAL   18  14.83 +/- 2.14   0.477% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HA    VAL   18  14.50 +/- 5.93   1.137% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  11.83 +/- 2.59   1.062% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.3:
    * O T HA    VAL   18 - HB    VAL   18   2.66 +/- 0.23  90.321% * 99.3791% (1.00  10.0 10.00   3.55  76.31) =  99.992%  kept
          HA    LYS+  33 - HB    VAL   18  15.40 +/- 3.08   3.383% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HB    VAL   18  12.49 +/- 6.23   2.775% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    VAL   18  14.24 +/- 2.89   1.187% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HB    VAL   18  15.77 +/- 2.99   0.983% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  18.01 +/- 4.25   0.409% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  21.73 +/- 7.63   0.373% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  25.15 +/-10.06   0.251% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  27.69 +/- 7.63   0.129% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  24.10 +/- 6.81   0.190% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.3:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.01  93.041% * 99.5994% (1.00  10.0 10.00   3.43  76.31) =  99.994%  kept
          QG1   VAL   70 - HB    VAL   18  10.76 +/- 4.98   1.864% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB    VAL   18  11.28 +/- 5.44   2.026% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB    VAL   18  11.93 +/- 6.40   2.143% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB    VAL   18  13.60 +/- 3.47   0.568% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   18  18.79 +/- 3.21   0.190% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  19.80 +/- 4.13   0.169% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 3.22, residual support = 75.8:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.02  77.497% * 86.7651% (1.00  10.0 10.00   3.22  76.31) =  99.150%  kept
          QD1   ILE   19 - HB    VAL   18   6.16 +/- 1.09   4.676% * 11.8961% (0.73   1.0  1.00   3.78  22.56) =   0.820%  kept
          QG1   VAL   43 - HB    VAL   18  12.71 +/- 6.44  14.539% *  0.0801% (0.92   1.0  1.00   0.02   0.02) =   0.017%
        T QG1   VAL   41 - HB    VAL   18  12.65 +/- 4.60   0.976% *  0.6631% (0.76   1.0 10.00   0.02   0.02) =   0.010%
        T QD2   LEU  104 - HB    VAL   18  15.38 +/- 2.88   0.277% *  0.4912% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  14.39 +/- 6.56   0.725% *  0.0850% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  13.03 +/- 3.61   1.310% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 76.3:
    * O T HA    VAL   18 - QG1   VAL   18   2.35 +/- 0.29  91.719% * 97.2871% (1.00  10.0 10.00   4.12  76.31) =  99.965%  kept
        T HA    VAL   70 - QG1   VAL   18  10.51 +/- 4.71   2.951% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.022%
        T HB2   SER   82 - QG1   VAL   18  19.87 +/- 8.39   0.473% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HA    SER   48 - QG1   VAL   18  17.11 +/- 6.35   0.597% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  29 - QG1   VAL   18  11.52 +/- 1.86   1.248% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  12.70 +/- 2.11   1.024% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   18  12.99 +/- 1.98   0.912% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.77 +/- 3.38   0.594% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  22.04 +/- 6.28   0.200% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  19.27 +/- 5.67   0.282% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.3:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.01  92.366% * 99.6862% (1.00  10.0 10.00   3.43  76.31) =  99.994%  kept
          HB2   LEU   67 - QG1   VAL   18  10.07 +/- 6.94   4.191% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   40 - QG1   VAL   18  11.35 +/- 3.81   2.219% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QG1   VAL   18  15.04 +/- 3.91   0.637% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  18.56 +/- 4.40   0.210% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  15.71 +/- 4.55   0.377% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 3.98, residual support = 75.4:
    * O T QG2   VAL   18 - QG1   VAL   18   2.03 +/- 0.07  73.714% * 85.0549% (1.00  10.0 10.00   3.97  76.31) =  98.365%  kept
          QD1   ILE   19 - QG1   VAL   18   4.69 +/- 0.74   7.482% * 13.6327% (0.73   1.0  1.00   4.41  22.56) =   1.600%  kept
          QG1   VAL   43 - QG1   VAL   18   9.91 +/- 5.12  14.194% *  0.0785% (0.92   1.0  1.00   0.02   0.02) =   0.017%
        T QG1   VAL   41 - QG1   VAL   18  10.25 +/- 3.38   1.095% *  0.6500% (0.76   1.0 10.00   0.02   0.02) =   0.011%
        T QD2   LEU  104 - QG1   VAL   18  12.62 +/- 2.07   0.397% *  0.4815% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QG1   VAL   18  11.15 +/- 5.51   1.662% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.42 +/- 2.64   1.456% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.1, residual support = 76.2:
    * O T HA    VAL   18 - QG2   VAL   18   2.91 +/- 0.41  58.848% * 95.5239% (1.00  10.0 10.00   4.10  76.31) =  99.805%  kept
          HA    LYS+  33 - QG1   VAL   41   9.22 +/- 2.09   3.069% *  2.5237% (0.72   1.0  1.00   0.73   0.02) =   0.138%  kept
        T HA    VAL   18 - QG1   VAL   41  11.74 +/- 4.25   2.022% *  0.7300% (0.76   1.0 10.00   0.02   0.02) =   0.026%
          HA    VAL   70 - QG1   VAL   41   6.95 +/- 1.45   8.115% *  0.0501% (0.52   1.0  1.00   0.02   2.62) =   0.007%
          HA    VAL   70 - QG2   VAL   18  10.53 +/- 4.65   3.358% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG2   VAL   18  11.88 +/- 2.80   1.957% *  0.0953% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   9.10 +/- 3.23   5.091% *  0.0327% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG1   VAL   41  10.99 +/- 2.83   1.969% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - QG2   VAL   18  13.00 +/- 2.40   1.472% *  0.0904% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   18 - QD2   LEU  104  14.83 +/- 2.14   0.615% *  0.1468% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - QG2   VAL   18  17.48 +/- 6.19   0.892% *  0.0694% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  14.98 +/- 3.70   0.862% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  20.55 +/- 7.83   0.571% *  0.0947% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  13.32 +/- 2.48   1.003% *  0.0428% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  17.99 +/- 4.01   0.417% *  0.0724% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   41  15.44 +/- 2.36   0.557% *  0.0501% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  10.55 +/- 2.04   2.368% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  17.90 +/- 2.34   0.360% *  0.0530% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  13.79 +/- 3.06   1.169% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  12.37 +/- 2.27   1.062% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  19.58 +/- 3.13   0.320% *  0.0355% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  22.76 +/- 5.60   0.205% *  0.0465% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  19.67 +/- 5.29   0.331% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  11.96 +/- 2.51   1.293% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.14 +/- 2.07   0.686% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.18 +/- 4.91   0.379% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.45 +/- 1.02   0.195% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  20.49 +/- 3.19   0.285% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  21.06 +/- 3.15   0.206% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.40 +/- 3.04   0.322% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.22, residual support = 76.0:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.02  79.443% * 93.2350% (1.00  10.0 10.00   3.22  76.31) =  99.486%  kept
          HB2   LEU   40 - QG1   VAL   41   4.93 +/- 0.41   6.832% *  5.3707% (0.26   1.0  1.00   4.42  21.05) =   0.493%  kept
        T HB    VAL   18 - QG1   VAL   41  12.65 +/- 4.60   1.384% *  0.7125% (0.76   1.0 10.00   0.02   0.02) =   0.013%
          HB2   LEU   67 - QG2   VAL   18   9.89 +/- 6.82   4.296% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   40 - QG2   VAL   18  11.54 +/- 3.92   1.952% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QG1   VAL   41  10.36 +/- 1.75   0.910% *  0.0639% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   18 - QD2   LEU  104  15.38 +/- 2.88   0.337% *  0.1433% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QG2   VAL   18  15.45 +/- 3.94   0.552% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  15.74 +/- 4.85   0.337% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  18.87 +/- 4.30   0.168% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.79 +/- 3.37   0.760% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  15.01 +/- 1.56   0.256% *  0.0375% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   8.75 +/- 1.70   1.961% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  20.94 +/- 2.76   0.105% *  0.0639% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  18.84 +/- 1.19   0.119% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  13.81 +/- 1.30   0.322% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.98 +/- 2.97   0.105% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.87 +/- 2.94   0.160% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.964, support = 4.02, residual support = 81.5:
    * O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.07  47.286% * 90.5786% (1.00  10.0 10.00   3.97  76.31) =  96.000%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.67 +/- 0.44  25.295% *  6.7748% (0.07  10.0 10.00   5.32 215.09) =   3.841%  kept
          QD1   LEU   71 - QG1   VAL   41   5.22 +/- 1.59  11.091% *  0.4809% (0.64   1.0  1.00   0.17   3.03) =   0.120%  kept
        T QG1   VAL   18 - QG1   VAL   41  10.25 +/- 3.38   0.825% *  0.6922% (0.76   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   LEU  104 - QG1   VAL   41   8.58 +/- 2.08   1.287% *  0.3369% (0.37   1.0 10.00   0.02   0.02) =   0.010%
          QD1   LEU   71 - QG2   VAL   18   9.44 +/- 4.22   2.530% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QG1   VAL   41   6.86 +/- 1.50   2.345% *  0.0679% (0.75   1.0  1.00   0.02   2.62) =   0.004%
          QG1   VAL   70 - QG2   VAL   18   9.06 +/- 3.68   1.275% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - QG2   VAL   18  10.03 +/- 4.89   1.106% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG2   VAL   18  15.93 +/- 2.63   0.133% *  0.4409% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  11.44 +/- 3.07   0.534% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   18 - QD2   LEU  104  12.62 +/- 2.07   0.270% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   9.12 +/- 2.47   2.583% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  11.04 +/- 1.77   0.388% *  0.0475% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   8.47 +/- 2.19   1.535% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.98 +/- 3.60   0.279% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.21 +/- 3.24   0.324% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.02 +/- 2.64   0.336% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.30 +/- 1.40   0.190% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  16.47 +/- 2.89   0.116% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.62 +/- 1.11   0.274% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 173.5:
    * O T HB    ILE   19 - HA    ILE   19   2.77 +/- 0.23  78.003% * 98.7896% (1.00  10.0 10.00   5.75 173.62) =  99.919%  kept
        T HB3   GLU-  25 - HA    ILE   19  11.77 +/- 3.30   7.221% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.071%
          HB2   GLN   17 - HA    ILE   19   5.96 +/- 0.48   8.770% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          QB    GLU-  15 - HA    ILE   19   8.53 +/- 1.29   3.697% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HA    ILE   19  16.37 +/- 3.61   0.566% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    ILE   19  20.90 +/- 3.45   0.262% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  16.35 +/- 4.30   0.712% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.18 +/- 3.75   0.376% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  21.06 +/- 3.96   0.236% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.19 +/- 3.83   0.158% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.14, residual support = 168.5:
    * O T HG12  ILE   19 - HA    ILE   19   3.68 +/- 0.47  53.079% * 89.9309% (1.00  10.0 10.00   6.31 173.62) =  96.988%  kept
        T HG    LEU   73 - HA    ILE   19   9.80 +/- 6.50  16.735% *  8.6835% (0.34   1.0 10.00   0.57   4.66) =   2.953%  kept
        T HG    LEU   80 - HA    ILE   19  19.87 +/- 9.27   1.535% *  0.8815% (0.98   1.0 10.00   0.02   0.02) =   0.027%
          HD3   LYS+ 121 - HA    ILE   19  18.83 +/- 5.91  10.340% *  0.0545% (0.61   1.0  1.00   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HA    ILE   19  10.14 +/- 6.64   9.190% *  0.0509% (0.57   1.0  1.00   0.02   7.89) =   0.010%
          QB    ALA   61 - HA    ILE   19  13.97 +/- 4.28   2.239% *  0.0780% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - HA    ILE   19  13.92 +/- 6.02   2.324% *  0.0653% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   80 - HA    ILE   19  19.65 +/- 8.49   1.136% *  0.0687% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ILE   19  15.21 +/- 4.64   1.419% *  0.0473% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  19.80 +/- 2.74   0.504% *  0.0891% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  15.18 +/- 2.36   1.130% *  0.0278% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HA    ILE   19  22.08 +/- 3.44   0.369% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.15 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 173.5:
    * O T HG13  ILE   19 - HA    ILE   19   3.28 +/- 0.57  75.034% * 98.2804% (1.00  10.0 10.00   5.75 173.62) =  99.926%  kept
        T HG    LEU   71 - HA    ILE   19  12.00 +/- 4.84   4.422% *  0.8814% (0.90   1.0 10.00   0.02   0.13) =   0.053%
          QG2   THR   39 - HA    ILE   19  12.23 +/- 4.34   6.126% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  74 - HA    ILE   19  11.67 +/- 6.41   4.255% *  0.0907% (0.92   1.0  1.00   0.02   7.89) =   0.005%
        T QG2   ILE   56 - HA    ILE   19  17.20 +/- 3.30   0.806% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HA    ILE   19   9.63 +/- 1.81   6.134% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    ILE   19  17.81 +/- 3.22   1.161% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  19.61 +/- 4.96   0.674% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  17.90 +/- 2.74   0.632% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  24.51 +/- 5.69   0.364% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.73 +/- 3.95   0.392% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 5.01, residual support = 160.3:
    *   T QD1   ILE   19 - HA    ILE   19   3.08 +/- 0.71  59.394% * 84.7877% (1.00 10.00   5.03 173.62) =  91.212%  kept
          QG2   VAL   18 - HA    ILE   19   4.40 +/- 0.71  32.377% * 14.9754% (0.73  1.00   4.86  22.56) =   8.782%  kept
          QG1   VAL   43 - HA    ILE   19  12.61 +/- 4.47   3.168% *  0.0413% (0.49  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    ILE   19  15.62 +/- 2.62   0.852% *  0.0818% (0.97  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    ILE   19  14.91 +/- 4.62   0.912% *  0.0708% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    ILE   19  12.14 +/- 3.48   2.425% *  0.0262% (0.31  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  15.08 +/- 2.45   0.872% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.20 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 173.6:
    * O T HA    ILE   19 - HB    ILE   19   2.77 +/- 0.23  89.347% * 98.6066% (1.00  10.0 10.00   5.75 173.62) =  99.971%  kept
        T HA    GLU-  25 - HB    ILE   19  10.93 +/- 1.88   2.430% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.025%
          HA    THR   26 - HB    ILE   19   8.72 +/- 2.03   7.668% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   82 - HB    ILE   19  23.61 +/- 8.50   0.296% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  21.68 +/- 4.41   0.259% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 5.12, residual support = 164.7:
    * O T HG12  ILE   19 - HB    ILE   19   2.54 +/- 0.19  76.436% * 71.3005% (1.00  10.0 10.00   5.30 173.62) =  94.692%  kept
        T HG    LEU   73 - HB    ILE   19   8.71 +/- 6.51  12.003% * 24.3212% (0.34   1.0 10.00   2.04   4.66) =   5.072%  kept
          HB3   LYS+  74 - HB    ILE   19  10.00 +/- 6.20   4.233% *  2.8541% (0.57   1.0  1.00   1.41   7.89) =   0.210%  kept
        T HG    LEU   80 - HB    ILE   19  18.74 +/- 9.79   1.069% *  0.6989% (0.98   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   LEU   67 - HB    ILE   19  13.89 +/- 5.74   0.932% *  0.5177% (0.73   1.0 10.00   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HB    ILE   19  18.36 +/- 5.96   2.255% *  0.0432% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HB    ILE   19  14.01 +/- 3.71   0.760% *  0.0618% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB    ILE   19  18.63 +/- 8.91   0.675% *  0.0545% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HB    ILE   19  15.54 +/- 4.23   0.563% *  0.0375% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  19.26 +/- 2.57   0.227% *  0.0707% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  14.14 +/- 2.57   0.624% *  0.0220% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  21.02 +/- 3.43   0.224% *  0.0178% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.96, residual support = 172.2:
    * O T HG13  ILE   19 - HB    ILE   19   2.72 +/- 0.28  82.429% * 81.2194% (1.00  10.0 10.00   5.00 173.62) =  99.159%  kept
        T HG2   LYS+  74 - HB    ILE   19  11.49 +/- 6.09   3.069% * 17.5641% (0.92   1.0 10.00   0.47   7.89) =   0.798%  kept
        T HG    LEU   71 - HB    ILE   19  11.65 +/- 4.71   3.187% *  0.7284% (0.90   1.0 10.00   0.02   0.13) =   0.034%
          QG2   THR   39 - HB    ILE   19  11.70 +/- 4.35   5.340% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   34 - HB    ILE   19   8.82 +/- 1.98   3.231% *  0.0181% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB    ILE   19  16.90 +/- 3.14   0.750% *  0.0768% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   19  19.00 +/- 5.08   0.648% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HB    ILE   19  24.97 +/- 3.95   0.174% *  0.1607% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.14 +/- 2.43   0.388% *  0.0460% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  16.87 +/- 3.04   0.545% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  23.55 +/- 5.96   0.239% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 4.29, residual support = 170.0:
    * O T QD1   ILE   19 - HB    ILE   19   2.66 +/- 0.50  74.839% * 84.8045% (1.00  10.0 10.00   4.28 173.62) =  97.593%  kept
          QG2   VAL   18 - HB    ILE   19   5.77 +/- 0.56  10.430% * 14.9586% (0.73   1.0  1.00   4.86  22.56) =   2.399%  kept
          QG1   VAL   41 - HB    ILE   19  11.18 +/- 3.86   8.243% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HB    ILE   19  11.63 +/- 4.69   3.951% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HB    ILE   19  14.48 +/- 4.57   1.054% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HB    ILE   19  14.82 +/- 2.75   0.691% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  14.07 +/- 2.27   0.792% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.14 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.981, support = 6.15, residual support = 168.9:
    * O T HA    ILE   19 - HG12  ILE   19   3.68 +/- 0.47  50.051% * 90.8436% (1.00  10.0 10.00   6.31 173.62) =  97.235%  kept
        T HA    ILE   19 - HG    LEU   73   9.80 +/- 6.50  15.237% *  8.3981% (0.33   1.0 10.00   0.57   4.66) =   2.737%  kept
        T HA    ILE   19 - HG    LEU   80  19.87 +/- 9.27   1.420% *  0.3726% (0.41   1.0 10.00   0.02   0.02) =   0.011%
          HA    GLU-  25 - HG12  ILE   19  12.10 +/- 2.04   2.267% *  0.0839% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HA    THR   26 - HG12  ILE   19   9.74 +/- 2.30   6.583% *  0.0227% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   82 - HG    LEU   80   7.29 +/- 0.96   7.949% *  0.0140% (0.15   1.0  1.00   0.02   0.41) =   0.002%
          HA    GLU-  25 - HG    LEU   80  19.38 +/- 9.65   2.347% *  0.0344% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG    LEU   73  12.66 +/- 5.24   2.801% *  0.0274% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HG    LEU   73  16.37 +/- 4.78   1.933% *  0.0266% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73  11.71 +/- 5.79   5.948% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  22.49 +/- 4.50   0.364% *  0.0815% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG    LEU   80  18.42 +/- 2.67   0.513% *  0.0334% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  24.44 +/- 8.49   0.452% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  20.53 +/- 9.49   1.556% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  19.43 +/- 3.64   0.580% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.967, support = 5.14, residual support = 165.3:
    * O T HB    ILE   19 - HG12  ILE   19   2.54 +/- 0.19  61.369% * 74.6257% (1.00  10.0 10.00   5.30 173.62) =  95.054%  kept
        T HB    ILE   19 - HG    LEU   73   8.71 +/- 6.51   9.738% * 24.3716% (0.33   1.0 10.00   2.04   4.66) =   4.926%  kept
        T HB    ILE   19 - HG    LEU   80  18.74 +/- 9.79   0.867% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLN   17 - HG12  ILE   19   7.01 +/- 1.31   4.296% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - HG12  ILE   19   7.49 +/- 1.77   4.128% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU  115 - HG    LEU   73  14.86 +/- 6.26   8.573% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HG12  ILE   19  12.71 +/- 2.57   1.239% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG12  ILE   19  16.20 +/- 4.40   0.475% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU   73  16.34 +/- 5.01   0.935% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80  20.28 +/- 9.74   0.866% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  22.53 +/- 9.27   0.913% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  14.18 +/- 6.62   1.033% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  20.76 +/- 3.47   0.192% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  13.93 +/- 5.51   0.723% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  16.16 +/- 4.94   0.560% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.24 +/- 3.79   0.324% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.56 +/- 1.98   0.335% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  14.68 +/- 5.32   0.551% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  21.49 +/- 4.01   0.191% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  19.61 +/- 5.46   0.491% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  23.69 +/- 9.78   0.319% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.57 +/- 4.34   0.168% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  22.73 +/- 4.50   0.143% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.05 +/- 4.11   0.382% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.12 +/- 3.90   0.093% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.67 +/- 2.59   0.446% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  22.89 +/- 4.76   0.150% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.51 +/- 5.38   0.155% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  20.33 +/- 4.12   0.167% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  22.72 +/- 4.62   0.178% *  0.0068% (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 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 0.996, support = 5.26, residual support = 172.1:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  78.049% * 71.5889% (1.00  10.0 10.00   5.30 173.62) =  99.132%  kept
        T HG    LEU   71 - HG12  ILE   19  11.39 +/- 5.89   1.929% * 11.4727% (0.90   1.0 10.00   0.36   0.13) =   0.393%  kept
        T HG    LEU   71 - HG    LEU   73   9.68 +/- 2.31   1.566% *  9.1926% (0.29   1.0 10.00   0.88   1.65) =   0.255%  kept
        T HG13  ILE   19 - HG    LEU   73   9.95 +/- 6.15   1.804% *  6.5484% (0.33   1.0 10.00   0.56   4.66) =   0.210%  kept
          QG2   THR   39 - HG12  ILE   19  11.26 +/- 4.93   3.528% *  0.0598% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T HG13  ILE   19 - HG    LEU   80  19.92 +/- 9.87   0.369% *  0.2936% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HG12  ILE   19  12.63 +/- 5.85   0.568% *  0.0661% (0.92   1.0  1.00   0.02   7.89) =   0.001%
          QG2   ILE   56 - HG    LEU   73  12.73 +/- 4.43   3.595% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HG    LEU   80  12.01 +/- 2.89   0.959% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.67 +/- 2.51   1.424% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.09 +/- 0.90   0.941% *  0.0216% (0.30   1.0  1.00   0.02  41.69) =   0.000%
        T HG    LEU   71 - HG    LEU   80  20.32 +/- 3.70   0.069% *  0.2633% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73  11.18 +/- 3.06   0.815% *  0.0195% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  14.41 +/- 3.03   0.642% *  0.0195% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.82 +/- 3.09   0.405% *  0.0271% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.79 +/- 2.59   0.129% *  0.0677% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.81 +/- 4.97   0.135% *  0.0598% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   9.19 +/- 2.87   1.125% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.67 +/- 3.13   0.124% *  0.0405% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  16.09 +/- 3.33   0.219% *  0.0221% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  18.16 +/- 4.85   0.133% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  17.51 +/- 3.04   0.104% *  0.0269% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.50 +/- 1.81   0.358% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.74 +/- 2.98   0.153% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  24.35 +/- 6.57   0.058% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  17.27 +/- 2.80   0.115% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  17.58 +/- 5.66   0.183% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  24.47 +/- 5.87   0.058% *  0.0179% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.84 +/- 5.20   0.130% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  19.99 +/- 5.65   0.152% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.61 +/- 4.14   0.041% *  0.0142% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  18.31 +/- 2.94   0.089% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  26.34 +/- 5.14   0.030% *  0.0166% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.993, support = 4.3, residual support = 171.1:
    * O T QD1   ILE   19 - HG12  ILE   19   2.14 +/- 0.01  55.683% * 79.7768% (1.00  10.0 10.00   4.32 173.62) =  98.405%  kept
          QG2   VAL   18 - HG12  ILE   19   6.04 +/- 0.77   3.404% * 13.3239% (0.73   1.0  1.00   4.60  22.56) =   1.005%  kept
        T QD1   ILE   19 - HG    LEU   73   8.45 +/- 4.55   3.075% *  4.9829% (0.33   1.0 10.00   0.38   4.66) =   0.339%  kept
          QG2   VAL   18 - HG    LEU   73   9.83 +/- 5.98  11.097% *  0.8777% (0.24   1.0  1.00   0.93   0.58) =   0.216%  kept
          QG1   VAL   43 - HG    LEU   73   7.43 +/- 2.68   8.471% *  0.1129% (0.16   1.0  1.00   0.18   2.81) =   0.021%
        T QD1   ILE   19 - HG    LEU   80  16.56 +/- 7.82   0.538% *  0.3272% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   41 - HG12  ILE   19  11.10 +/- 4.15   6.289% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HG    LEU   80  10.34 +/- 5.09   2.849% *  0.0159% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   73   9.63 +/- 3.13   1.969% *  0.0218% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG12  ILE   19  14.15 +/- 2.56   0.265% *  0.1579% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  12.22 +/- 4.68   0.924% *  0.0388% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  16.02 +/- 6.08   0.468% *  0.0648% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   80  11.42 +/- 2.93   0.747% *  0.0273% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  15.30 +/- 4.44   0.247% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  14.94 +/- 2.29   0.207% *  0.0770% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   9.37 +/- 2.53   1.799% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  13.26 +/- 3.21   0.505% *  0.0251% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  19.20 +/- 5.96   0.246% *  0.0316% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  17.28 +/- 8.10   0.294% *  0.0238% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.56 +/- 5.16   0.353% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  12.04 +/- 2.31   0.570% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 173.6:
    * O T HA    ILE   19 - HG13  ILE   19   3.28 +/- 0.57  81.270% * 98.6722% (1.00  10.0 10.00   5.75 173.62) =  99.980%  kept
        T HA    ILE   19 - HG    LEU   71  12.00 +/- 4.84   4.780% *  0.1414% (0.14   1.0 10.00   0.02   0.13) =   0.008%
        T HA    CYS   53 - HG13  ILE   19  22.20 +/- 4.56   0.438% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  25 - HG13  ILE   19  12.45 +/- 2.35   2.641% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - HG13  ILE   19  10.06 +/- 2.25   6.612% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    CYS   53 - HG    LEU   71  20.66 +/- 2.88   0.512% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  24.73 +/- 8.63   0.631% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  17.38 +/- 2.84   0.926% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.55 +/- 3.29   1.950% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  24.83 +/- 2.46   0.239% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 173.6:
    * O T HB    ILE   19 - HG13  ILE   19   2.72 +/- 0.28  60.139% * 98.7569% (1.00  10.0 10.00   5.00 173.62) =  99.974%  kept
          HB2   GLN   17 - HG13  ILE   19   6.25 +/- 1.27   7.886% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
        T HB    ILE   19 - HG    LEU   71  11.65 +/- 4.71   2.250% *  0.1416% (0.14   1.0 10.00   0.02   0.13) =   0.005%
          QB    GLU-  15 - HG13  ILE   19   7.35 +/- 1.39   5.247% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  25 - HG13  ILE   19  13.10 +/- 2.76   1.603% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG    LEU   71  11.31 +/- 7.29  13.440% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG13  ILE   19  15.56 +/- 4.55   0.679% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  24.80 +/- 3.84   0.111% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG13  ILE   19  20.45 +/- 3.15   0.225% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  12.56 +/- 7.03   2.540% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  15.52 +/- 5.14   0.802% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.04 +/- 1.70   1.162% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  19.84 +/- 3.63   0.390% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  22.63 +/- 4.46   0.165% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  21.02 +/- 3.55   0.186% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  18.27 +/- 4.10   0.413% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.75 +/- 1.97   1.547% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  17.44 +/- 4.62   0.743% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.01 +/- 2.86   0.279% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  20.23 +/- 2.67   0.192% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 173.6:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  86.067% * 97.7565% (1.00  10.0 10.00   5.30 173.62) =  99.980%  kept
        T HG    LEU   73 - HG13  ILE   19   9.95 +/- 6.15   1.988% *  0.3335% (0.34   1.0 10.00   0.02   4.66) =   0.008%
        T HG    LEU   80 - HG13  ILE   19  19.92 +/- 9.87   0.406% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HG12  ILE   19 - HG    LEU   71  11.39 +/- 5.89   2.124% *  0.1401% (0.14   1.0 10.00   0.02   0.13) =   0.004%
        T HG    LEU   73 - HG    LEU   71   9.68 +/- 2.31   1.724% *  0.0478% (0.05   1.0 10.00   0.02   1.65) =   0.001%
          HB3   LYS+  74 - HG13  ILE   19  11.05 +/- 6.14   1.187% *  0.0553% (0.57   1.0  1.00   0.02   7.89) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  13.32 +/- 6.59   0.602% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HG13  ILE   19  19.75 +/- 9.01   0.400% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  14.16 +/- 4.04   0.312% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  18.11 +/- 5.36   0.321% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  15.04 +/- 4.68   0.279% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  20.32 +/- 3.70   0.076% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  14.94 +/- 5.96   1.078% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.20 +/- 1.74   0.815% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  19.65 +/- 2.67   0.076% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.22 +/- 2.73   0.232% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.59 +/- 2.29   0.520% *  0.0079% (0.08   1.0  1.00   0.02   1.18) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.25 +/- 2.72   0.892% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.26 +/- 1.31   0.224% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  12.31 +/- 1.64   0.309% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.94 +/- 3.24   0.070% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  18.47 +/- 3.01   0.105% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  20.04 +/- 2.90   0.072% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  17.20 +/- 3.18   0.123% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 4.28, residual support = 171.8:
    * O T QD1   ILE   19 - HG13  ILE   19   2.14 +/- 0.01  66.679% * 84.6504% (1.00  10.0 10.00   4.27 173.62) =  98.825%  kept
          QG2   VAL   18 - HG13  ILE   19   5.45 +/- 0.53   4.430% * 14.9491% (0.73   1.0  1.00   4.86  22.56) =   1.159%  kept
        T QD1   ILE   19 - HG    LEU   71   9.46 +/- 4.39   4.597% *  0.1213% (0.14   1.0 10.00   0.02   0.13) =   0.010%
          QG1   VAL   43 - HG13  ILE   19  12.06 +/- 4.94   2.242% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HG13  ILE   19  11.04 +/- 3.89   2.463% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   71   9.44 +/- 2.69   7.879% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG    LEU   71  10.58 +/- 5.45   5.050% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG13  ILE   19  15.05 +/- 4.68   0.330% *  0.0707% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  14.80 +/- 1.99   0.242% *  0.0817% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   7.31 +/- 2.04   3.865% *  0.0037% (0.04   1.0  1.00   0.02   3.03) =   0.000%
          QD2   LEU  104 - HG    LEU   71  11.32 +/- 2.67   0.763% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.11 +/- 2.65   0.375% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.95 +/- 2.00   0.295% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.99 +/- 2.45   0.791% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 173.6:
    *   T HA    ILE   19 - QD1   ILE   19   3.08 +/- 0.71  80.260% * 99.7561% (1.00 10.00   5.03 173.62) =  99.989%  kept
          HA    GLU-  25 - QD1   ILE   19  10.26 +/- 1.58   5.174% *  0.0921% (0.92  1.00   0.02   0.02) =   0.006%
          HA    THR   26 - QD1   ILE   19   8.01 +/- 1.71  12.828% *  0.0249% (0.25  1.00   0.02   0.02) =   0.004%
          HA    CYS   53 - QD1   ILE   19  18.71 +/- 3.65   0.826% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  20.52 +/- 6.89   0.913% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.13 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.27, residual support = 173.2:
    * O T HB    ILE   19 - QD1   ILE   19   2.66 +/- 0.50  63.336% * 98.8613% (1.00  10.0 10.00   4.28 173.62) =  99.777%  kept
          HB2   GLN   17 - QD1   ILE   19   5.79 +/- 1.73  19.552% *  0.6633% (0.57   1.0  1.00   0.24   0.02) =   0.207%  kept
          QB    GLU-  15 - QD1   ILE   19   6.29 +/- 1.55  10.278% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.009%
          HG2   PRO   68 - QD1   ILE   19  13.40 +/- 3.29   2.191% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QD1   ILE   19  10.76 +/- 1.87   1.340% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD1   ILE   19  13.33 +/- 3.70   1.720% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  17.39 +/- 2.99   0.358% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QD1   ILE   19  16.90 +/- 3.29   0.730% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.86 +/- 3.01   0.277% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.09 +/- 3.19   0.218% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 173.5:
    * O T HG12  ILE   19 - QD1   ILE   19   2.14 +/- 0.01  78.236% * 97.8860% (1.00  10.0 10.00   4.32 173.62) =  99.956%  kept
        T HG    LEU   73 - QD1   ILE   19   8.45 +/- 4.55   4.269% *  0.3339% (0.34   1.0 10.00   0.02   4.66) =   0.019%
        T HG    LEU   80 - QD1   ILE   19  16.56 +/- 7.82   0.807% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HB3   LYS+  74 - QD1   ILE   19   9.07 +/- 4.76  11.050% *  0.0554% (0.57   1.0  1.00   0.02   7.89) =   0.008%
        T QB    LEU   98 - QD1   ILE   19  11.93 +/- 2.04   0.589% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - QD1   ILE   19  16.38 +/- 7.17   1.133% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD1   ILE   19  11.56 +/- 4.74   1.120% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   ILE   19  12.02 +/- 3.22   0.933% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   ILE   19  15.48 +/- 4.73   0.736% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD1   ILE   19  12.89 +/- 3.57   0.672% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.66 +/- 2.38   0.214% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.47 +/- 2.99   0.241% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.27, residual support = 173.5:
    * O T HG13  ILE   19 - QD1   ILE   19   2.14 +/- 0.01  69.521% * 98.6077% (1.00  10.0 10.00   4.27 173.62) =  99.909%  kept
        T HG    LEU   71 - QD1   ILE   19   9.46 +/- 4.39   4.863% *  0.8843% (0.90   1.0 10.00   0.02   0.13) =   0.063%
          QG2   THR   39 - QD1   ILE   19   9.15 +/- 3.96  17.111% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.021%
          HG2   LYS+  74 - QD1   ILE   19  10.19 +/- 4.77   3.440% *  0.0910% (0.92   1.0  1.00   0.02   7.89) =   0.005%
          QB    ALA   34 - QD1   ILE   19   7.14 +/- 1.90   3.191% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD1   ILE   19  13.81 +/- 2.72   0.592% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD1   ILE   19  16.50 +/- 3.97   0.322% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.79 +/- 2.49   0.324% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  14.57 +/- 2.51   0.326% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  20.49 +/- 4.83   0.197% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  21.47 +/- 3.38   0.113% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.13 +/- 0.02  97.366% * 99.6998% (1.00  10.0 10.00   2.31  15.21) =  99.998%  kept
          HG2   LYS+ 121 - HA    ALA   20  19.92 +/- 5.48   0.829% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HA    ALA   20  16.34 +/- 2.83   0.540% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ALA   20  13.34 +/- 1.47   0.450% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.13 +/- 3.79   0.391% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  22.24 +/- 5.85   0.262% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.92 +/- 2.40   0.162% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.13 +/- 0.02  98.555% * 99.9427% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20  11.15 +/- 3.49   1.178% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  18.53 +/- 3.42   0.267% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (1.14, 1.14, 19.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   20 - QB    ALA   20  (1.00)  kept
 
    Peak 114 (4.59, 4.59, 57.78 ppm):
    1 diagonal assignment:
    *     HA    CYS   21 - HA    CYS   21  (1.00)  kept
 
    Peak 115 (3.08, 4.59, 57.78 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 30.6:
    * O T HB2   CYS   21 - HA    CYS   21   2.62 +/- 0.24  99.222% * 99.9059% (1.00  10.0 10.00   2.81  30.58) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  17.45 +/- 3.62   0.514% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.84 +/- 4.33   0.265% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.83, residual support = 30.6:
    * O T HB3   CYS   21 - HA    CYS   21   2.66 +/- 0.24  99.470% * 99.9348% (0.69  10.0 10.00   2.83  30.58) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.85 +/- 2.22   0.530% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.75, residual support = 30.6:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.801% * 99.9348% (0.69  10.0 10.00   2.75  30.58) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  15.56 +/- 2.73   0.199% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.75, residual support = 30.6:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.641% * 99.9059% (0.69  10.0 10.00   2.75  30.58) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  16.15 +/- 4.35   0.239% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  22.73 +/- 4.84   0.120% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.2:
    * O T HB2   HIS   22 - HA    HIS   22   2.43 +/- 0.07  93.197% * 99.8331% (0.76  10.0 10.00   2.32  35.21) =  99.993%  kept
          HA    LEU   63 - HA    HIS   22  17.78 +/- 5.19   4.296% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.006%
          HA2   GLY  101 - HA    HIS   22  22.99 +/- 5.77   2.507% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.2:
    * O T HB3   HIS   22 - HA    HIS   22   2.70 +/- 0.30  99.792% * 99.9165% (0.95  10.0 10.00   3.46  35.21) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  24.26 +/- 4.67   0.208% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.2:
    * O T HA    HIS   22 - HB2   HIS   22   2.43 +/- 0.07  99.394% * 99.7956% (0.76  10.0 10.00   2.32  35.21) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  16.29 +/- 3.05   0.437% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  21.37 +/- 2.32   0.170% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.2:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.926% * 99.9165% (0.80  10.0 10.00   4.26  35.21) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  25.09 +/- 5.48   0.074% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.2:
    * O T HA    HIS   22 - HB3   HIS   22   2.70 +/- 0.30  99.055% * 99.7956% (0.95  10.0 10.00   3.46  35.21) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  16.09 +/- 2.90   0.689% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  21.03 +/- 2.49   0.256% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.2:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  98.235% * 99.8331% (0.80  10.0 10.00   4.26  35.21) =  99.999%  kept
          HA    LEU   63 - HB3   HIS   22  18.97 +/- 5.13   0.505% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   HIS   22  23.55 +/- 5.99   1.259% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.34, residual support = 19.3:
    * O T QG2   THR   23 - HA    THR   23   2.62 +/- 0.45  94.915% * 99.3383% (0.80  10.0 10.00   3.34  19.30) =  99.993%  kept
        T QB    ALA   91 - HA    THR   23  18.04 +/- 5.59   1.495% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   THR   39 - HA    THR   23  16.62 +/- 2.34   0.624% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    THR   23  13.06 +/- 0.93   0.954% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  14.56 +/- 3.74   1.330% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  18.59 +/- 3.49   0.501% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  22.49 +/- 2.23   0.181% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.619, support = 3.34, residual support = 19.3:
    * O T HA    THR   23 - QG2   THR   23   2.62 +/- 0.45  35.068% * 73.9129% (0.80  10.0 10.00   3.34  19.30) =  65.248%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.01  53.784% * 25.6645% (0.28  10.0  1.00   3.34  19.30) =  34.747%  kept
          HA    ASP-  78 - QB    ALA   91   7.90 +/- 3.28   5.916% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - QG2   THR   23  15.41 +/- 7.64   1.031% *  0.0379% (0.41   1.0  1.00   0.02   0.25) =   0.001%
        T HA    THR   23 - QB    ALA   91  18.04 +/- 5.59   0.503% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QG2   THR   39  16.62 +/- 2.34   0.152% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QG2   THR   23  16.60 +/- 5.47   0.268% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - QB    ALA   91  11.14 +/- 2.74   2.597% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  20.04 +/- 1.83   0.076% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.08 +/- 3.43   0.114% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  19.35 +/- 5.54   0.348% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.92 +/- 2.44   0.143% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T QG1   VAL   24 - HA    VAL   24   2.92 +/- 0.38  94.827% * 99.7332% (1.00  10.0 10.00   3.42  64.99) =  99.997%  kept
          HB3   LEU   31 - HA    VAL   24  10.03 +/- 0.67   2.693% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  16.38 +/- 3.43   1.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL   24  19.59 +/- 4.68   1.129% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  24.07 +/- 5.49   0.348% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T HA    VAL   24 - QG1   VAL   24   2.92 +/- 0.38  95.949% * 99.8757% (1.00  10.0 10.00   3.42  64.99) =  99.998%  kept
          HD2   PRO   68 - QG1   VAL   24  17.42 +/- 4.01   2.033% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   24  15.88 +/- 2.08   0.739% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  15.68 +/- 3.79   1.279% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.05  93.153% * 99.2829% (1.00  10.0 10.00   5.27 127.38) =  99.993%  kept
        T HB2   GLU-  25 - HA    SER   82  23.71 +/-10.15   0.938% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HA    GLU-  25  14.64 +/- 3.91   2.269% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    GLU-  25  18.75 +/- 2.75   0.465% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  17.84 +/- 4.04   0.669% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  19.05 +/- 2.23   0.422% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  17.07 +/- 3.57   0.782% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  25.68 +/- 8.08   0.309% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  19.17 +/- 3.50   0.506% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  23.70 +/- 3.23   0.237% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  30.28 +/- 3.69   0.105% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  28.43 +/- 4.75   0.145% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.3:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.70 +/- 0.18  88.568% * 98.0202% (1.00  10.0 10.00   5.00 127.38) =  99.972%  kept
        T HB    ILE   19 - HA    GLU-  25  10.93 +/- 1.88   2.227% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.019%
        T HB3   GLU-  25 - HA    SER   82  23.30 +/-10.81   0.878% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - HA    GLU-  25  15.45 +/- 3.49   1.146% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLU-  25  15.71 +/- 4.21   0.976% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  23.61 +/- 8.50   0.289% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.28 +/- 1.05   2.644% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  25  22.17 +/- 5.24   0.558% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  22.46 +/- 5.38   0.426% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  26.50 +/- 9.21   0.628% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  23.78 +/- 4.45   0.230% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.20 +/- 4.25   0.100% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.88 +/- 2.83   0.208% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  28.54 +/- 9.08   0.181% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  27.43 +/- 5.08   0.279% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  23.81 +/- 3.29   0.172% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  27.32 +/- 4.63   0.177% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  24.10 +/- 7.70   0.312% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.47 +/- 0.51  94.887% * 99.4877% (1.00  10.0 10.00   4.31 127.38) =  99.996%  kept
        T HG2   GLU-  25 - HA    SER   82  23.47 +/-10.91   0.794% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HB3   TRP   87 - HA    SER   82   9.45 +/- 0.47   2.490% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.37 +/- 2.94   0.425% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  23.94 +/- 6.79   0.237% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  26.28 +/- 5.64   0.380% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  26.96 +/- 5.50   0.273% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  19.89 +/- 2.74   0.300% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  27.76 +/- 3.96   0.106% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  27.21 +/- 3.72   0.107% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.33 +/- 0.38  86.881% * 99.2510% (1.00  10.0 10.00   3.73 127.38) =  99.991%  kept
        T HG3   GLU-  25 - HA    SER   82  24.12 +/-10.95   1.355% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HA    GLU-  25  18.69 +/- 7.54   1.584% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    SER   82   9.68 +/- 0.87   4.103% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  25  23.16 +/- 4.58   0.796% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  17.95 +/- 2.06   0.701% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.35 +/- 3.93   0.716% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  15.13 +/- 3.14   1.449% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  27.50 +/- 4.87   0.197% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  25.11 +/- 5.53   0.377% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  25.77 +/- 5.21   0.466% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  25.70 +/- 6.78   0.796% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.34 +/- 2.83   0.399% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  31.43 +/- 6.33   0.180% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.17 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.05  90.896% * 99.2383% (1.00  10.0 10.00   5.27 127.38) =  99.986%  kept
          HA    ILE   19 - HB2   GLU-  25  11.45 +/- 2.83   8.000% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.008%
        T HA    SER   82 - HB2   GLU-  25  23.71 +/-10.15   0.919% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB2   GLU-  25  26.60 +/- 4.40   0.185% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  96.908% * 97.2368% (1.00  10.0 10.00   5.27 127.38) =  99.992%  kept
        T HB2   GLN   17 - HB2   GLU-  25  15.86 +/- 4.09   0.310% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QB    GLU-  15 - HB2   GLU-  25  15.87 +/- 3.35   0.283% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HB2   GLU-  25  11.18 +/- 2.05   1.501% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB2   GLU-  25  23.46 +/- 5.29   0.099% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HB2   GLU-  25   9.77 +/- 1.32   0.677% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  23.24 +/- 5.14   0.110% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  24.73 +/- 4.79   0.080% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  29.22 +/- 4.64   0.033% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 127.4:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.73 +/- 0.26  98.857% * 99.8559% (1.00  10.0 10.00   4.58 127.38) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  25.33 +/- 6.27   0.255% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.61 +/- 2.86   0.304% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  27.65 +/- 6.09   0.250% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  26.98 +/- 6.23   0.333% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.59 +/- 0.24  97.774% * 99.6757% (1.00  10.0 10.00   4.00 127.38) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  19.41 +/- 7.78   0.954% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HB2   GLU-  25  24.15 +/- 4.89   0.436% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  28.29 +/- 5.23   0.151% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  18.99 +/- 2.56   0.314% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  26.09 +/- 5.24   0.169% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  26.38 +/- 5.74   0.202% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.0, residual support = 127.3:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.70 +/- 0.18  91.476% * 98.4268% (1.00  10.0 10.00   5.00 127.38) =  99.918%  kept
        T HA    ILE   19 - HB3   GLU-  25  11.77 +/- 3.30   7.499% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.076%
        T HA    SER   82 - HB3   GLU-  25  23.30 +/-10.81   0.910% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB3   GLU-  25  26.65 +/- 4.28   0.115% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  98.921% * 98.0062% (1.00  10.0 10.00   5.27 127.38) =  99.992%  kept
        T QG    GLN   17 - HB3   GLU-  25  14.99 +/- 4.47   0.763% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HB    VAL   70 - HB3   GLU-  25  20.37 +/- 2.59   0.074% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  19.59 +/- 3.83   0.099% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.07 +/- 2.11   0.064% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  21.22 +/- 3.62   0.080% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.89 +/- 0.16  98.747% * 99.8559% (1.00  10.0 10.00   4.44 127.38) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  25.10 +/- 6.74   0.309% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.85 +/- 2.85   0.304% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  27.28 +/- 6.15   0.370% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  27.95 +/- 6.00   0.269% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.54 +/- 0.20  98.261% * 99.2075% (1.00  10.0 10.00   3.86 127.38) =  99.998%  kept
        T QG    GLU- 114 - HB3   GLU-  25  24.33 +/- 4.71   0.287% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HB3   GLU-  25  19.25 +/- 8.10   0.720% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  19.50 +/- 2.39   0.283% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  28.24 +/- 5.22   0.113% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  26.01 +/- 5.61   0.169% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  26.62 +/- 5.58   0.168% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.09 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.47 +/- 0.51  93.646% * 99.2383% (1.00  10.0 10.00   4.31 127.38) =  99.989%  kept
          HA    ILE   19 - HG2   GLU-  25  12.80 +/- 3.30   5.353% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   82 - HG2   GLU-  25  23.47 +/-10.91   0.785% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    CYS   53 - HG2   GLU-  25  27.23 +/- 4.39   0.216% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.73 +/- 0.26  96.240% * 99.7000% (1.00  10.0 10.00   4.58 127.38) =  99.997%  kept
          QG    GLN   17 - HG2   GLU-  25  15.69 +/- 4.41   2.364% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG2   GLU-  25  20.56 +/- 2.89   0.283% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  19.68 +/- 3.98   0.444% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  20.58 +/- 2.41   0.285% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  20.71 +/- 3.77   0.383% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.89 +/- 0.16  85.254% * 99.4104% (1.00  10.0 10.00   4.44 127.38) =  99.988%  kept
          HB    ILE   19 - HG2   GLU-  25  12.28 +/- 2.58   9.479% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - HG2   GLU-  25  16.42 +/- 3.82   1.115% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   GLU-  25  16.84 +/- 4.74   1.055% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  10.93 +/- 1.23   1.835% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   GLU-  25  23.86 +/- 5.50   0.513% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  24.11 +/- 5.59   0.398% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  25.16 +/- 4.69   0.237% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  29.67 +/- 4.64   0.113% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.460% * 99.6757% (1.00  10.0 10.00   3.31 127.38) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  19.94 +/- 7.65   0.216% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  24.57 +/- 4.84   0.086% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  19.24 +/- 2.63   0.098% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  28.79 +/- 5.36   0.034% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.54 +/- 5.56   0.047% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  27.18 +/- 5.76   0.060% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 127.1:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.33 +/- 0.38  80.981% * 98.4268% (1.00  10.0 10.00   3.73 127.38) =  99.790%  kept
        T HA    ILE   19 - HG3   GLU-  25  13.07 +/- 3.71  17.574% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.200%  kept
        T HA    SER   82 - HG3   GLU-  25  24.12 +/-10.95   1.293% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.010%
          HA    CYS   53 - HG3   GLU-  25  28.03 +/- 4.48   0.153% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.10 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.4:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.59 +/- 0.24  96.012% * 99.7000% (1.00  10.0 10.00   4.00 127.38) =  99.996%  kept
          QG    GLN   17 - HG3   GLU-  25  15.89 +/- 4.82   2.989% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   70 - HG3   GLU-  25  21.47 +/- 3.05   0.242% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  20.73 +/- 4.01   0.302% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  21.47 +/- 2.30   0.204% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  21.71 +/- 3.84   0.251% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.08 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   2.54 +/- 0.20  81.568% * 98.6730% (1.00  10.0 10.00   3.86 127.38) =  99.982%  kept
          HB    ILE   19 - HG3   GLU-  25  12.71 +/- 3.00  15.445% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.014%
        T QB    GLU- 114 - HG3   GLU-  25  26.02 +/- 4.81   0.137% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   GLU-  25  17.07 +/- 5.15   0.734% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   GLU-  25  16.79 +/- 3.90   0.552% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   GLU-  25  11.61 +/- 1.20   1.035% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  24.69 +/- 5.42   0.249% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  24.93 +/- 5.50   0.216% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  30.60 +/- 4.73   0.064% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.760% * 99.8559% (1.00  10.0 10.00   3.31 127.38) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  26.11 +/- 6.93   0.060% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.14 +/- 3.11   0.060% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  29.28 +/- 6.20   0.052% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  28.62 +/- 6.34   0.068% *  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 = 34.8:
    * O T HB    THR   26 - HA    THR   26   3.00 +/- 0.07  99.044% * 99.8279% (1.00  10.0 10.00   3.25  34.78) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  21.20 +/- 4.76   0.584% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HA    THR   26  25.09 +/- 5.71   0.372% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.60 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.8:
    * O T QG2   THR   26 - HA    THR   26   2.63 +/- 0.21  92.147% * 99.3101% (1.00  10.0 10.00   3.25  34.78) =  99.994%  kept
        T HB3   LEU   40 - HA    THR   26  15.89 +/- 2.16   0.572% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    THR   26  14.54 +/- 4.70   1.755% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    THR   26  21.84 +/- 5.95   0.872% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  20.20 +/- 5.36   0.460% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  19.02 +/- 4.93   1.842% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  21.60 +/- 6.07   1.095% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  20.44 +/- 4.08   0.306% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  20.26 +/- 5.31   0.614% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  23.59 +/- 4.20   0.337% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.8:
    * O T HA    THR   26 - HB    THR   26   3.00 +/- 0.07  80.732% * 99.6617% (1.00  10.0 10.00   3.25  34.78) =  99.993%  kept
          HA    ILE   19 - HB    THR   26   8.04 +/- 2.07  12.015% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASN   28 - HB    THR   26   7.81 +/- 0.18   4.663% *  0.0308% (0.31   1.0  1.00   0.02   0.43) =   0.002%
          HA    ALA   34 - HB    THR   26  13.72 +/- 1.44   0.949% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  20.17 +/- 5.18   0.575% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  25.48 +/- 5.30   0.303% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  22.23 +/- 4.44   0.523% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  24.15 +/- 4.17   0.239% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.46 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.8:
    * O T QG2   THR   26 - HB    THR   26   2.16 +/- 0.01  93.784% * 99.4369% (1.00  10.0 10.00   3.00  34.78) =  99.996%  kept
          HB2   LYS+  74 - HB    THR   26  12.72 +/- 5.33   2.477% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA  120 - HB    THR   26  19.84 +/- 5.59   0.456% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB    THR   26  21.63 +/- 5.87   0.369% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  19.49 +/- 5.26   1.641% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  19.03 +/- 5.49   0.293% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  19.83 +/- 4.08   0.204% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  16.24 +/- 2.13   0.260% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  21.37 +/- 5.95   0.346% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  22.42 +/- 4.41   0.170% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.25, residual support = 34.7:
    * O T HA    THR   26 - QG2   THR   26   2.63 +/- 0.21  67.732% * 97.5708% (1.00  10.0 10.00   3.25  34.78) =  99.859%  kept
          HA    ASN   28 - QG2   THR   26   6.61 +/- 0.22   4.762% *  0.9388% (0.31   1.0  1.00   0.62   0.43) =   0.068%
          HA    ILE   19 - QG2   THR   26   5.93 +/- 2.01  23.795% *  0.1806% (0.25   1.0  1.00   0.15   0.02) =   0.065%
        T HA    GLU- 114 - QG2   THR   26  20.96 +/- 4.09   0.291% *  0.8150% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU  115 - QG2   THR   26  18.23 +/- 3.41   0.515% *  0.3328% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   34 - QG2   THR   26  10.16 +/- 1.58   1.673% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  16.05 +/- 4.41   0.901% *  0.0670% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  20.28 +/- 3.57   0.332% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.8:
    * O T HB    THR   26 - QG2   THR   26   2.16 +/- 0.01  99.236% * 99.1149% (1.00  10.0 10.00   3.00  34.78) =  99.997%  kept
        T HA    SER  117 - QG2   THR   26  19.88 +/- 4.75   0.309% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  62 - QG2   THR   26  16.26 +/- 3.75   0.455% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.2:
    * O T HB2   TRP   27 - HA    TRP   27   2.82 +/- 0.08  98.202% * 99.8554% (1.00  10.0 10.00   4.74 107.21) =  99.999%  kept
          HD2   PRO   93 - HA    TRP   27  21.09 +/- 3.95   0.782% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   77 - HA    TRP   27  16.68 +/- 5.02   1.016% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.22 +/- 0.03  95.981% * 99.7166% (1.00  10.0 10.00   4.76 107.21) =  99.997%  kept
          HB2   PHE   97 - HA    TRP   27  14.92 +/- 3.52   1.389% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HA    TRP   27  13.10 +/- 3.33   1.340% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    TRP   27  16.75 +/- 3.26   0.332% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  13.88 +/- 2.89   0.658% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  16.67 +/- 3.01   0.300% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.2:
    * O T HA    TRP   27 - HB2   TRP   27   2.82 +/- 0.08  98.075% * 99.7755% (1.00  10.0 10.00   4.74 107.21) =  99.998%  kept
          HA    ALA   91 - HB2   TRP   27  20.52 +/- 6.32   1.189% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   TRP   27  19.88 +/- 3.73   0.575% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  25.07 +/- 3.27   0.160% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.2:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  97.645% * 99.7166% (1.00  10.0 10.00   4.97 107.21) =  99.998%  kept
          HB2   PHE   97 - HB2   TRP   27  15.69 +/- 4.10   1.217% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB2   TRP   27  14.43 +/- 3.47   0.525% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.86 +/- 3.84   0.185% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.55 +/- 3.40   0.171% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  15.32 +/- 3.22   0.258% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.2:
    * O T HA    TRP   27 - HB3   TRP   27   2.22 +/- 0.03  99.028% * 99.7755% (1.00  10.0 10.00   4.76 107.21) =  99.999%  kept
          HA    ALA   91 - HB3   TRP   27  20.05 +/- 5.99   0.593% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   TRP   27  18.89 +/- 3.38   0.295% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  24.44 +/- 2.98   0.083% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.2:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.315% * 99.8554% (1.00  10.0 10.00   4.97 107.21) = 100.000%  kept
          HD2   PRO   93 - HB3   TRP   27  19.46 +/- 4.06   0.284% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB3   TRP   27  14.80 +/- 5.05   0.401% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 105.7:
    * O T HB2   ASN   28 - HA    ASN   28   3.03 +/- 0.06  90.778% * 99.2152% (1.00  10.0 10.00   4.48 105.74) =  99.981%  kept
        T HB2   ASN   35 - HA    ASN   28  10.80 +/- 1.66   2.555% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.013%
          QE    LYS+  33 - HA    ASN   28   9.50 +/- 0.79   3.189% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    ASN   28  21.13 +/- 8.30   1.677% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASN   28  18.30 +/- 3.65   0.598% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  20.96 +/- 5.13   0.421% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  17.45 +/- 4.88   0.782% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 104.5:
    * O T HB3   ASN   28 - HA    ASN   28   2.65 +/- 0.10  89.530% * 86.9701% (1.00  10.0 10.00   4.19 105.74) =  98.568%  kept
          HG2   GLN   30 - HA    ASN   28   6.38 +/- 0.87   8.715% * 12.9757% (0.92   1.0  1.00   3.23  16.71) =   1.431%  kept
          QE    LYS+ 121 - HA    ASN   28  17.71 +/- 5.51   0.820% *  0.0390% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  18.25 +/- 6.24   0.935% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.45, residual support = 104.7:
    * O T HA    ASN   28 - HB2   ASN   28   3.03 +/- 0.06  63.440% * 93.0075% (1.00  10.0 10.00   4.48 105.74) =  98.893%  kept
          HA    ALA   34 - HB2   ASN   35   6.16 +/- 0.36   7.849% *  4.4728% (0.29   1.0  1.00   3.27  21.05) =   0.588%  kept
          HA    THR   26 - HB2   ASN   28   4.70 +/- 0.37  17.987% *  1.6709% (0.31   1.0  1.00   1.16   0.43) =   0.504%  kept
        T HA    ASN   28 - HB2   ASN   35  10.80 +/- 1.66   1.773% *  0.2893% (0.31   1.0 10.00   0.02   0.02) =   0.009%
          HA1   GLY  101 - HB2   ASN   28  17.16 +/- 5.52   1.702% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   28  11.93 +/- 0.81   1.087% *  0.0880% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   35  12.67 +/- 3.87   2.477% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   ASN   28  22.89 +/- 4.19   0.454% *  0.0928% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ASN   28  24.19 +/- 7.55   0.363% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  21.30 +/- 8.66   0.965% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  25.98 +/- 4.59   0.202% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  22.51 +/- 8.20   0.494% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  27.05 +/- 3.79   0.120% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.32 +/- 1.12   0.643% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  23.88 +/- 3.28   0.160% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  26.76 +/- 3.81   0.116% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.50 +/- 3.42   0.073% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  29.03 +/- 4.86   0.095% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 105.6:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  96.291% * 91.7178% (1.00  10.0 10.00   5.43 105.74) =  99.858%  kept
          HG2   GLN   30 - HB2   ASN   28   7.18 +/- 0.70   1.566% *  7.8956% (0.92   1.0  1.00   1.87  16.71) =   0.140%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.43 +/- 1.75   0.452% *  0.2853% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HB2   ASN   28  19.45 +/- 5.99   0.383% *  0.0411% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.73 +/- 1.29   0.367% *  0.0263% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  20.18 +/- 6.53   0.323% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  17.81 +/- 6.03   0.345% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  18.75 +/- 7.81   0.274% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 105.6:
    * O T HA    ASN   28 - HB3   ASN   28   2.65 +/- 0.10  84.480% * 98.3785% (1.00  10.0 10.00   4.19 105.74) =  99.855%  kept
          HA    THR   26 - HB3   ASN   28   6.05 +/- 0.58  10.105% *  1.1552% (0.31   1.0  1.00   0.76   0.43) =   0.140%  kept
          HA1   GLY  101 - HB3   ASN   28  16.20 +/- 5.84   3.011% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HB3   ASN   28  11.48 +/- 0.69   1.098% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  22.87 +/- 3.95   0.340% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  23.99 +/- 7.57   0.341% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  25.88 +/- 4.33   0.162% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.36 +/- 3.96   0.115% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  22.92 +/- 8.09   0.346% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 105.7:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.362% * 99.2152% (1.00  10.0 10.00   5.43 105.74) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.43 +/- 1.75   0.462% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28  10.05 +/- 1.14   0.622% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  22.73 +/- 8.98   0.253% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  19.92 +/- 4.22   0.118% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  22.69 +/- 5.50   0.068% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  19.29 +/- 5.16   0.114% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.997, support = 4.91, residual support = 92.0:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.93 +/- 0.18  59.081% * 98.3644% (1.00  10.0 10.00   4.91  92.05) =  99.952%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.53 +/- 1.18   2.930% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   PHE   72 - HA    GLU-  29  14.00 +/- 3.99   1.888% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   GLU-  29 - HA    GLN   32   7.92 +/- 0.37   3.059% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.012%
          QG    GLU-  15 - HA    GLU-  29  12.75 +/- 4.31   7.478% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PHE   72 - HA    LYS+  33  14.11 +/- 3.37   0.904% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - HA    GLU-  29  14.02 +/- 4.46   2.792% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLN   32  10.92 +/- 3.57   6.923% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  14.20 +/- 3.45   0.969% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    LYS+  33  10.81 +/- 3.36   2.433% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  21.76 +/- 4.22   0.306% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  20.11 +/- 3.22   0.290% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.95 +/- 4.25   2.896% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  20.30 +/- 5.02   0.251% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.94 +/- 4.35   0.109% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  26.24 +/- 5.89   0.215% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.94 +/- 3.40   0.328% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.03 +/- 3.61   2.038% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  14.30 +/- 4.38   1.058% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.76 +/- 3.33   1.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.19 +/- 3.69   0.910% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  19.71 +/- 2.36   0.245% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  21.91 +/- 3.68   0.201% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  18.92 +/- 3.03   0.282% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  21.49 +/- 3.91   0.233% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.80 +/- 4.17   0.093% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.04 +/- 3.07   0.073% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.91 +/- 3.57   0.146% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.89 +/- 3.80   0.169% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  19.88 +/- 2.13   0.214% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  19.29 +/- 2.70   0.243% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  27.34 +/- 5.36   0.143% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  28.68 +/- 4.40   0.100% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.18 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 91.2:
      O   HB3   GLU-  29 - HA    GLU-  29   2.66 +/- 0.16  39.262% * 43.8620% (0.80  10.0  1.00   5.20  92.05) =  61.589%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.47 +/- 0.33  19.136% * 54.7770% (1.00  10.0 10.00   5.19  92.05) =  37.488%  kept
          QB    GLU-  36 - HA    LYS+  33   3.50 +/- 1.00  26.172% *  0.9731% (0.13   1.0  1.00   2.66   0.02) =   0.911%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.67 +/- 1.47   1.152% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  38 - HA    LYS+  33   8.73 +/- 1.32   3.536% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  33   7.56 +/- 1.24   2.197% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   9.69 +/- 1.42   0.962% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    GLU-  29  13.64 +/- 2.04   0.557% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.33 +/- 0.44   1.874% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.83 +/- 0.83   2.568% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.72 +/- 0.51   1.125% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32   9.74 +/- 1.34   1.083% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  21.62 +/- 6.24   0.126% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  29.51 +/- 6.44   0.047% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  30.85 +/- 5.85   0.035% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  24.47 +/- 4.68   0.064% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  23.35 +/- 5.00   0.077% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  32.29 +/- 4.78   0.026% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.68, residual support = 92.0:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.55 +/- 0.57  85.703% * 99.0116% (1.00  10.0 10.00   4.68  92.05) =  99.972%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.68 +/- 1.67   4.684% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   GLU-  29 - HA    GLN   32   7.55 +/- 0.68   4.100% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HA    GLU-  29  25.47 +/- 8.40   0.565% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    GLU-  29  22.30 +/- 4.64   0.363% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  22.55 +/- 4.10   0.200% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.55 +/- 4.55   0.164% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  26.05 +/- 8.04   0.486% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.79 +/- 3.21   0.445% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  27.84 +/- 6.54   0.247% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  21.98 +/- 2.13   0.190% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  22.30 +/- 4.16   0.321% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  16.97 +/- 3.63   0.781% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  22.46 +/- 3.69   0.234% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  23.08 +/- 3.91   0.209% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  24.24 +/- 2.82   0.148% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.10 +/- 1.85   0.418% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.30 +/- 3.55   0.139% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.64 +/- 3.74   0.155% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.55 +/- 2.21   0.246% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.46 +/- 1.20   0.201% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.13 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.91, residual support = 92.0:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.93 +/- 0.18  85.409% * 98.1508% (1.00  10.0 10.00   4.91  92.05) =  99.924%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.53 +/- 1.18   4.223% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.047%
        T HA    GLN   32 - HB2   GLU-  29   7.92 +/- 0.37   4.443% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.023%
          HA    VAL   18 - HB2   GLU-  29  12.20 +/- 2.67   2.858% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HB2   GLU-  29  24.15 +/-10.06   0.888% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  15.83 +/- 3.12   1.054% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   GLU-  29  25.64 +/- 5.99   0.556% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  23.95 +/- 4.44   0.296% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  28.59 +/- 6.40   0.152% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  29.15 +/- 3.95   0.121% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.87, support = 4.49, residual support = 92.1:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  69.441% * 44.1051% (0.80  10.0  1.00   4.52  92.05) =  65.020%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.33 +/- 0.10  29.913% * 55.0806% (1.00  10.0 10.00   4.45  92.05) =  34.979%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  20.76 +/- 6.76   0.099% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  28.89 +/- 6.27   0.029% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.95 +/- 1.62   0.349% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  15.32 +/- 2.09   0.170% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 92.1:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.88 +/- 0.14  97.746% * 99.6674% (1.00  10.0 10.00   4.14  92.05) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  25.37 +/- 7.94   0.415% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  22.05 +/- 4.89   0.471% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  22.24 +/- 4.02   0.303% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  24.29 +/- 5.08   0.289% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.23 +/- 2.79   0.471% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.03 +/- 2.66   0.303% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.0:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.55 +/- 0.57  85.517% * 98.1508% (1.00  10.0 10.00   4.68  92.05) =  99.921%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.68 +/- 1.67   4.672% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.052%
        T HA    GLN   32 - HG2   GLU-  29   7.55 +/- 0.68   4.087% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.021%
          HA    VAL   18 - HG2   GLU-  29  13.44 +/- 3.18   2.902% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HG2   GLU-  29  25.22 +/-10.93   1.011% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   GLU-  29  16.83 +/- 3.61   1.056% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   GLU-  29  26.78 +/- 6.48   0.327% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  25.02 +/- 4.42   0.181% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  29.68 +/- 7.23   0.160% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  30.30 +/- 4.19   0.086% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 92.0:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.14  76.140% * 99.5124% (1.00  10.0 10.00   4.14  92.05) =  99.990%  kept
          HB3   PHE   72 - HG2   GLU-  29  15.31 +/- 4.41   5.964% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HG2   GLU-  29  13.99 +/- 5.33   7.116% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HG2   GLU-  29  13.24 +/- 4.75   8.146% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HG2   GLU-  29  16.10 +/- 3.73   0.751% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  22.84 +/- 4.68   0.335% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  21.50 +/- 3.65   0.306% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  20.87 +/- 5.81   0.389% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.99 +/- 3.95   0.493% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  26.82 +/- 6.30   0.249% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.71 +/- 4.57   0.111% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.35 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 4.21, residual support = 92.0:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  77.404% * 55.3193% (1.00  10.0 10.00   4.16  92.05) =  81.554%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.74 +/- 0.22  21.862% * 44.2962% (0.80  10.0 10.00   4.40  92.05) =  18.444%  kept
        T QB    GLU-  36 - HG2   GLU-  29  11.16 +/- 1.97   0.460% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HG2   GLU-  29  15.63 +/- 2.00   0.163% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  22.10 +/- 6.96   0.082% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  30.10 +/- 6.89   0.029% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.939, support = 4.89, residual support = 160.0:
    * O T HB2   GLN   30 - HA    GLN   30   2.66 +/- 0.16  47.613% * 53.1933% (1.00  10.0 10.00   4.81 160.02) =  54.275%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.75 +/- 0.52  46.237% * 46.1414% (0.87  10.0 10.00   4.99 160.02) =  45.720%  kept
          HB3   GLU- 100 - HA    GLN   30  13.36 +/- 3.51   1.614% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   PRO   93 - HA    GLN   30  21.79 +/- 3.20   0.209% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    GLN   30  17.03 +/- 4.31   1.197% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLN   30  11.08 +/- 3.66   1.757% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  20.59 +/- 4.30   0.183% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  12.15 +/- 2.81   1.005% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  26.61 +/- 2.28   0.058% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.97 +/- 2.25   0.083% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  28.37 +/- 3.19   0.044% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.21, residual support = 158.1:
    * O T HB3   GLN   30 - HA    GLN   30   2.95 +/- 0.16  60.308% * 97.5344% (1.00  10.0 10.00   5.25 160.02) =  98.814%  kept
          QB    LYS+  33 - HA    GLN   30   3.92 +/- 0.98  35.919% *  1.9603% (0.25   1.0  1.00   1.61   0.51) =   1.183%  kept
          HB3   LYS+  38 - HA    GLN   30  12.18 +/- 1.98   1.435% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HA    GLN   30  23.46 +/- 3.69   0.190% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  17.05 +/- 3.25   0.791% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.74 +/- 1.91   0.328% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.08 +/- 2.38   0.134% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.14 +/- 3.29   0.111% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  22.37 +/- 6.38   0.240% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  19.13 +/- 4.18   0.369% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  28.22 +/- 4.92   0.087% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  28.06 +/- 3.41   0.087% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 159.2:
    * O T HG2   GLN   30 - HA    GLN   30   3.11 +/- 0.53  88.587% * 94.0657% (1.00  10.0 10.00   5.79 160.02) =  99.454%  kept
          HB3   ASN   28 - HA    GLN   30   7.54 +/- 0.17   7.815% *  5.8376% (0.92   1.0  1.00   1.34  16.71) =   0.544%  kept
          HB3   HIS  122 - HA    GLN   30  16.91 +/- 6.42   2.657% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  17.13 +/- 4.39   0.941% *  0.0646% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 4.81, residual support = 160.0:
    * O T HA    GLN   30 - HB2   GLN   30   2.66 +/- 0.16  91.030% * 99.6678% (1.00  10.0 10.00   4.81 160.02) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30  10.30 +/- 2.85   3.555% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   GLN   30  12.43 +/- 3.72   1.840% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB2   GLN   30  21.97 +/- 7.86   0.659% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30  10.22 +/- 1.89   2.288% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  23.19 +/- 2.40   0.152% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  27.22 +/- 2.58   0.093% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  22.04 +/- 2.75   0.207% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  24.36 +/- 4.16   0.176% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  94.657% * 98.9590% (1.00  10.0 10.00   5.05 160.02) =  99.997%  kept
          QB    LYS+  33 - HB2   GLN   30   5.56 +/- 0.75   3.772% *  0.0247% (0.25   1.0  1.00   0.02   0.51) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  16.34 +/- 2.18   0.147% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  12.12 +/- 2.20   0.497% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  15.75 +/- 3.45   0.456% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.60 +/- 3.39   0.075% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  25.97 +/- 3.32   0.035% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  23.05 +/- 3.34   0.056% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.02 +/- 2.35   0.059% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  20.71 +/- 5.99   0.107% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  19.42 +/- 3.73   0.098% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  26.13 +/- 4.62   0.042% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 159.6:
    * O T HG2   GLN   30 - HB2   GLN   30   2.83 +/- 0.26  84.852% * 94.6215% (1.00  10.0 10.00   5.64 160.02) =  99.739%  kept
          HB3   ASN   28 - HB2   GLN   30   8.03 +/- 0.42   3.913% *  5.2812% (0.92   1.0  1.00   1.21  16.71) =   0.257%  kept
          HB3   HIS  122 - HB2   GLN   30  15.58 +/- 6.31  10.518% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 121 - HB2   GLN   30  16.21 +/- 4.18   0.718% *  0.0650% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 160.0:
    * O T HA    GLN   30 - HB3   GLN   30   2.95 +/- 0.16  90.598% * 99.5115% (1.00  10.0 10.00   5.25 160.02) =  99.996%  kept
          HB3   SER   82 - HB3   GLN   30  21.27 +/- 8.40   1.232% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  12.69 +/- 3.77   2.493% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HB3   GLN   30  11.18 +/- 2.37   2.735% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  22.18 +/- 2.91   0.278% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30  11.22 +/- 1.73   2.076% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  23.13 +/- 2.32   0.210% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  27.06 +/- 2.63   0.130% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  23.94 +/- 4.43   0.247% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.974, support = 5.09, residual support = 160.0:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  76.468% * 53.1733% (1.00  10.0 10.00   5.05 160.02) =  80.740%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.77 +/- 0.25  21.027% * 46.1240% (0.87  10.0  1.00   5.24 160.02) =  19.258%  kept
          HB3   GLU- 100 - HB3   GLN   30  13.85 +/- 3.63   0.697% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HB3   GLN   30  26.24 +/- 3.13   0.027% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  19.34 +/- 4.38   0.150% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.57 +/- 3.56   0.284% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  11.86 +/- 2.76   0.637% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.47 +/- 3.33   0.148% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.66 +/- 2.84   0.478% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  21.05 +/- 2.58   0.052% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  24.79 +/- 2.54   0.032% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 159.6:
    * O T HG2   GLN   30 - HB3   GLN   30   2.53 +/- 0.25  89.557% * 94.0779% (1.00  10.0 10.00   6.06 160.02) =  99.673%  kept
          HB3   ASN   28 - HB3   GLN   30   6.92 +/- 0.47   4.704% *  5.8254% (0.92   1.0  1.00   1.34  16.71) =   0.324%  kept
          HB3   HIS  122 - HB3   GLN   30  16.12 +/- 6.28   5.074% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HB3   GLN   30  16.50 +/- 4.42   0.665% *  0.0646% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.79, residual support = 160.0:
    * O T HA    GLN   30 - HG2   GLN   30   3.11 +/- 0.53  88.414% * 99.6678% (1.00  10.0 10.00   5.79 160.02) =  99.996%  kept
          QB    SER   13 - HG2   GLN   30  11.97 +/- 3.96   3.863% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HG2   GLN   30  12.21 +/- 3.14   3.188% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  22.15 +/- 8.27   0.797% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG2   GLN   30  11.86 +/- 2.26   2.686% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  23.83 +/- 2.54   0.298% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  27.76 +/- 2.85   0.188% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.78 +/- 3.12   0.312% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  24.91 +/- 4.17   0.255% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.898, support = 6.37, residual support = 160.0:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  75.235% * 46.1414% (0.87  10.0 10.00   6.58 160.02) =  76.807%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.83 +/- 0.26  19.702% * 53.1933% (1.00  10.0 10.00   5.64 160.02) =  23.188%  kept
          HB3   GLU- 100 - HG2   GLN   30  15.16 +/- 4.33   2.654% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   PRO   93 - HG2   GLN   30  20.36 +/- 3.29   0.093% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   GLN   30  11.18 +/- 3.02   0.920% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.09 +/- 3.33   0.851% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.25 +/- 3.75   0.305% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  20.05 +/- 4.57   0.141% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  25.78 +/- 2.88   0.029% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  22.24 +/- 2.84   0.045% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  26.86 +/- 3.15   0.024% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 160.0:
    * O T HB3   GLN   30 - HG2   GLN   30   2.53 +/- 0.25  85.161% * 99.4599% (1.00  10.0 10.00   6.06 160.02) =  99.995%  kept
          QB    LYS+  33 - HG2   GLN   30   6.33 +/- 1.15  11.129% *  0.0248% (0.25   1.0  1.00   0.02   0.51) =   0.003%
          HB3   LYS+  38 - HG2   GLN   30  14.09 +/- 2.19   0.680% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   GLN   30  17.23 +/- 4.27   1.280% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.39 +/- 3.77   0.193% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  17.50 +/- 2.60   0.332% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  20.68 +/- 6.51   0.359% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  23.64 +/- 3.50   0.133% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.79 +/- 2.27   0.135% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  18.59 +/- 3.91   0.398% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  26.51 +/- 4.99   0.113% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  26.58 +/- 3.30   0.087% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HA    LEU   31   2.94 +/- 0.19  75.491% * 99.2507% (1.00  10.0 10.00   6.00 231.88) =  99.977%  kept
          HG2   LYS+  38 - HA    LEU   31   8.98 +/- 2.20   9.113% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HA    LEU   31  10.50 +/- 2.87   4.221% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HA    LEU   31  10.78 +/- 3.49   5.688% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - HA    LEU   31  14.91 +/- 3.14   1.789% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    LEU   31  17.38 +/- 6.05   1.053% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   31  20.72 +/- 6.94   0.643% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  15.64 +/- 2.79   0.638% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   31  20.13 +/- 3.18   0.516% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  19.81 +/- 4.40   0.422% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  24.92 +/- 3.06   0.152% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  22.73 +/- 4.46   0.274% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HB3   LEU   31 - HA    LEU   31   2.39 +/- 0.07  95.673% * 99.6763% (1.00  10.0 10.00   6.00 231.88) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  10.91 +/- 1.41   1.280% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.80 +/- 0.57   1.086% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  17.99 +/- 4.04   0.460% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  17.53 +/- 5.85   0.529% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  15.05 +/- 2.20   0.462% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  24.65 +/- 3.86   0.133% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.21 +/- 2.18   0.376% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 230.3:
    * O T HG    LEU   31 - HA    LEU   31   3.03 +/- 0.52  62.160% * 94.5318% (0.80  10.0 10.00   6.00 231.88) =  99.320%  kept
          QD2   LEU   73 - HA    LEU   31   7.97 +/- 2.84   7.477% *  5.2541% (0.92   1.0  1.00   0.96   1.31) =   0.664%  kept
          QG1   VAL   41 - HA    LEU   31   6.52 +/- 3.07  29.177% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.015%
          HG3   LYS+ 121 - HA    LEU   31  16.98 +/- 5.79   0.795% *  0.0668% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    LEU   31  18.24 +/- 2.42   0.390% *  0.1178% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.9:
    *   T QD1   LEU   31 - HA    LEU   31   3.71 +/- 0.15 100.000% *100.0000% (1.00 10.00   4.85 231.88) = 100.000%  kept
    Distance limit 3.46 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 = 231.9:
    *   T QD2   LEU   31 - HA    LEU   31   2.89 +/- 0.71  95.385% * 99.6345% (1.00 10.00   5.74 231.88) =  99.990%  kept
        T QG2   VAL   43 - HA    LEU   31  10.65 +/- 3.67   3.366% *  0.2484% (0.25 10.00   0.02   0.02) =   0.009%
          QG2   VAL   83 - HA    LEU   31  16.98 +/- 5.10   0.791% *  0.0723% (0.73  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HA    LEU   31  18.93 +/- 3.76   0.458% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 231.9:
    * O T HA    LEU   31 - HB2   LEU   31   2.94 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.88) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.107% * 99.6763% (1.00  10.0 10.00   6.00 231.88) =  99.999%  kept
          QB    ALA   20 - HB2   LEU   31  11.16 +/- 1.82   0.546% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   LEU   31   9.55 +/- 0.67   0.643% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  19.17 +/- 4.13   0.139% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  18.62 +/- 6.10   0.199% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  25.42 +/- 4.26   0.061% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  15.80 +/- 2.52   0.166% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  16.83 +/- 2.55   0.138% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 6.0, residual support = 231.7:
    * O T HG    LEU   31 - HB2   LEU   31   2.74 +/- 0.31  83.296% * 99.1765% (0.80  10.0 10.00   6.00 231.88) =  99.936%  kept
          QD2   LEU   73 - HB2   LEU   31   8.71 +/- 3.37   8.247% *  0.5989% (0.92   1.0  1.00   0.10   1.31) =   0.060%
          QG1   VAL   41 - HB2   LEU   31   8.10 +/- 3.16   7.168% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - HB2   LEU   31  18.03 +/- 6.01   0.885% *  0.0701% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   LEU   31  18.90 +/- 2.65   0.404% *  0.1236% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.9:
    * O T QD1   LEU   31 - HB2   LEU   31   2.60 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.88) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.8:
    * O T QD2   LEU   31 - HB2   LEU   31   2.56 +/- 0.52  89.961% * 99.6345% (1.00  10.0 10.00   5.75 231.88) =  99.980%  kept
        T QG2   VAL   43 - HB2   LEU   31  11.10 +/- 4.52   6.127% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.017%
          QG2   VAL   83 - HB2   LEU   31  16.92 +/- 5.96   3.112% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HB2   LEU   31  18.97 +/- 4.47   0.801% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HA    LEU   31 - HB3   LEU   31   2.39 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.88) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  89.363% * 99.2507% (1.00  10.0 10.00   6.00 231.88) =  99.992%  kept
          HG2   LYS+  38 - HB3   LEU   31   9.52 +/- 2.60   3.431% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HB3   LEU   31  10.71 +/- 4.66   4.587% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HB3   LEU   31  10.87 +/- 3.02   0.923% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LEU   31  15.51 +/- 3.45   0.743% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   LEU   31  20.42 +/- 7.30   0.175% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  18.00 +/- 6.02   0.226% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.97 +/- 3.42   0.179% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  19.50 +/- 4.90   0.122% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.27 +/- 3.72   0.127% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  24.84 +/- 3.87   0.039% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  22.28 +/- 5.15   0.084% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 231.0:
    * O T HG    LEU   31 - HB3   LEU   31   2.81 +/- 0.18  75.193% * 93.5437% (0.80  10.0 10.00   6.00 231.88) =  99.622%  kept
        T QD2   LEU   73 - HB3   LEU   31   8.54 +/- 2.87   4.497% *  5.6493% (0.92   1.0 10.00   0.10   1.31) =   0.360%  kept
        T HG3   LYS+ 121 - HB3   LEU   31  17.29 +/- 6.20   1.057% *  0.6614% (0.57   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   41 - HB3   LEU   31   7.15 +/- 3.33  18.872% *  0.0291% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          QD1   ILE   56 - HB3   LEU   31  18.42 +/- 2.89   0.381% *  0.1166% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.9:
    * O T QD1   LEU   31 - HB3   LEU   31   2.13 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   4.85 231.88) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.8:
    * O T QD2   LEU   31 - HB3   LEU   31   2.92 +/- 0.27  92.117% * 99.6345% (1.00  10.0 10.00   5.74 231.88) =  99.983%  kept
        T QG2   VAL   43 - HB3   LEU   31  10.65 +/- 4.43   5.793% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.016%
          QG2   VAL   83 - HB3   LEU   31  16.61 +/- 5.65   1.536% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HB3   LEU   31  18.64 +/- 4.31   0.555% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.0, residual support = 231.9:
    * O T HA    LEU   31 - HG    LEU   31   3.03 +/- 0.52 100.000% *100.0000% (0.80  10.0 10.00   6.00 231.88) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HG    LEU   31   2.74 +/- 0.31  80.814% * 99.2507% (0.80  10.0 10.00   6.00 231.88) =  99.983%  kept
          HG2   LYS+  38 - HG    LEU   31  10.89 +/- 2.88   5.084% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HG    LEU   31  11.84 +/- 3.23   3.921% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - HG    LEU   31  15.07 +/- 3.51   2.654% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HG    LEU   31  11.11 +/- 3.86   4.127% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HG    LEU   31  18.86 +/- 7.55   0.773% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   31  18.63 +/- 5.73   0.787% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  14.99 +/- 2.87   0.631% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  18.32 +/- 4.96   0.428% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.34 +/- 3.49   0.400% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.49 +/- 3.70   0.141% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  21.39 +/- 4.99   0.240% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.9:
    * O T HB3   LEU   31 - HG    LEU   31   2.81 +/- 0.18  90.757% * 99.4283% (0.80  10.0 10.00   6.00 231.88) =  99.992%  kept
        T HG2   LYS+ 121 - HG    LEU   31  18.38 +/- 5.93   0.934% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   20 - HG    LEU   31  10.35 +/- 1.67   2.427% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HG    LEU   31   8.71 +/- 0.68   3.426% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HG    LEU   31  18.36 +/- 4.46   0.721% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG    LEU   31  24.35 +/- 4.67   0.280% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.02 +/- 2.71   0.804% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.01 +/- 2.74   0.650% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.99, residual support = 231.9:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.01 100.000% *100.0000% (0.80  10.0 10.00   4.99 231.88) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 231.9:
    * O T QD2   LEU   31 - HG    LEU   31   2.10 +/- 0.01  95.034% * 99.6345% (0.80  10.0 10.00   5.89 231.88) =  99.990%  kept
        T QG2   VAL   43 - HG    LEU   31   9.76 +/- 4.04   3.315% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.009%
          QG2   VAL   83 - HG    LEU   31  15.58 +/- 5.59   1.307% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  17.71 +/- 4.16   0.344% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.9:
    *   T HA    LEU   31 - QD1   LEU   31   3.71 +/- 0.15 100.000% *100.0000% (1.00 10.00   4.85 231.88) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.8:
    * O T HB2   LEU   31 - QD1   LEU   31   2.60 +/- 0.12  62.982% * 99.2507% (1.00  10.0 10.00   4.86 231.88) =  99.961%  kept
          HG    LEU   98 - QD1   LEU   31   8.97 +/- 4.10  17.214% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.014%
          HB2   LEU   63 - QD1   LEU   31  12.50 +/- 3.08   6.987% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.010%
          HG2   LYS+  38 - QD1   LEU   31   9.39 +/- 2.58   5.569% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  99 - QD1   LEU   31  10.05 +/- 2.59   1.971% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD1   LEU   31  15.32 +/- 6.38   1.361% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD1   LEU   31  12.34 +/- 3.06   0.991% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   31  15.67 +/- 4.66   0.710% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  14.88 +/- 4.38   0.776% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   31  15.79 +/- 3.43   0.774% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  19.88 +/- 3.81   0.192% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  17.30 +/- 4.61   0.473% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 231.9:
    * O T HB3   LEU   31 - QD1   LEU   31   2.13 +/- 0.10  91.396% * 99.6763% (1.00  10.0 10.00   4.85 231.88) =  99.996%  kept
          QB    ALA   20 - QD1   LEU   31   9.43 +/- 1.58   2.200% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - QD1   LEU   31   7.19 +/- 0.70   2.709% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  15.22 +/- 3.84   0.537% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   LEU   31  15.10 +/- 5.33   1.442% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.97 +/- 4.16   0.292% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.20 +/- 2.90   0.812% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.01 +/- 2.85   0.613% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.98, residual support = 231.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.01  83.695% * 99.1765% (0.80  10.0 10.00   4.99 231.88) =  99.951%  kept
          QD2   LEU   73 - QD1   LEU   31   6.51 +/- 2.40   6.140% *  0.5989% (0.92   1.0  1.00   0.10   1.31) =   0.044%
          QG1   VAL   41 - QD1   LEU   31   6.48 +/- 2.57   7.940% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - QD1   LEU   31  14.61 +/- 5.30   1.792% *  0.0701% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - QD1   LEU   31  14.66 +/- 2.66   0.434% *  0.1236% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.8:
    * O T QD2   LEU   31 - QD1   LEU   31   2.02 +/- 0.08  85.272% * 99.6345% (1.00  10.0 10.00   4.62 231.88) =  99.965%  kept
        T QG2   VAL   43 - QD1   LEU   31   7.87 +/- 4.06  10.843% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.032%
          QG2   VAL   83 - QD1   LEU   31  12.48 +/- 5.02   3.212% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - QD1   LEU   31  14.27 +/- 3.88   0.673% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.9:
    *   T HA    LEU   31 - QD2   LEU   31   2.89 +/- 0.71  96.591% * 99.9324% (1.00 10.00   5.74 231.88) =  99.998%  kept
        T HA    LEU   31 - QG2   VAL   43  10.65 +/- 3.67   3.409% *  0.0676% (0.07 10.00   0.02   0.02) =   0.002%
    Distance limit 3.08 A violated in 0 structures by 0.22 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.74, residual support = 231.6:
    * O T HB2   LEU   31 - QD2   LEU   31   2.56 +/- 0.52  47.894% * 97.8821% (1.00  10.0 10.00   5.75 231.88) =  99.849%  kept
          HB3   ASP-  44 - QG2   VAL   43   5.65 +/- 0.66   6.139% *  0.9058% (0.05   1.0  1.00   3.42  16.37) =   0.118%  kept
          HG    LEU   98 - QD2   LEU   31   9.73 +/- 3.41   5.977% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.007%
        T QB    ALA   84 - QD2   LEU   31  15.14 +/- 4.25   0.668% *  0.4024% (0.41   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   31 - QG2   VAL   43  11.10 +/- 4.52   3.249% *  0.0662% (0.07   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   80 - QD2   LEU   31  15.55 +/- 6.54   1.615% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - QD2   LEU   31  10.49 +/- 2.35   1.522% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD2   LEU   31  12.12 +/- 3.12   1.213% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD2   LEU   31   9.87 +/- 1.84   1.157% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD2   LEU   31  11.98 +/- 2.67   0.913% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QG2   VAL   43   9.42 +/- 4.76   7.106% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   31  15.12 +/- 4.55   0.450% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QG2   VAL   43   8.70 +/- 2.08  11.323% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD2   LEU   31  20.11 +/- 3.08   0.194% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.66 +/- 3.25   0.451% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  17.81 +/- 4.15   0.379% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.30 +/- 2.05   1.782% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   7.91 +/- 2.08   3.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   9.20 +/- 1.85   2.284% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  14.28 +/- 2.27   0.494% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.65 +/- 1.25   0.562% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  11.38 +/- 2.28   1.048% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  15.01 +/- 1.07   0.324% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.11 +/- 3.08   0.258% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.8:
    * O T HB3   LEU   31 - QD2   LEU   31   2.92 +/- 0.27  59.770% * 99.5873% (1.00  10.0 10.00   5.74 231.88) =  99.978%  kept
          QB    ALA   20 - QD2   LEU   31   7.69 +/- 1.44   7.271% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   24 - QD2   LEU   31   6.69 +/- 0.97   6.976% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU   31 - QG2   VAL   43  10.65 +/- 4.43   3.812% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - QD2   LEU   31  14.72 +/- 3.32   1.287% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QD2   LEU   31  15.05 +/- 4.82   1.237% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - QD2   LEU   31  19.73 +/- 3.88   0.509% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.27 +/- 2.41   1.146% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.02 +/- 2.44   1.096% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43  10.27 +/- 3.96   4.126% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43  10.86 +/- 3.29   1.885% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.14 +/- 1.65   5.575% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.86 +/- 2.14   0.935% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  14.73 +/- 2.60   0.757% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.68 +/- 0.92   2.820% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.66 +/- 3.83   0.798% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.799, support = 5.87, residual support = 231.4:
    * O T HG    LEU   31 - QD2   LEU   31   2.10 +/- 0.01  64.319% * 98.2590% (0.80  10.0 10.00   5.89 231.88) =  99.782%  kept
          QG1   VAL   41 - QD2   LEU   31   6.52 +/- 2.85   8.993% *  0.5867% (0.25   1.0  1.00   0.38   0.02) =   0.083%
          QD2   LEU   73 - QD2   LEU   31   5.72 +/- 2.97   8.380% *  0.5934% (0.92   1.0  1.00   0.10   1.31) =   0.079%
          QD2   LEU   73 - QG2   VAL   43   6.00 +/- 2.51  11.617% *  0.2875% (0.06   1.0  1.00   0.75   2.81) =   0.053%
        T HG    LEU   31 - QG2   VAL   43   9.76 +/- 4.04   2.178% *  0.0665% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD2   LEU   31  14.58 +/- 4.80   0.575% *  0.0695% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD2   LEU   31  14.45 +/- 2.23   0.289% *  0.1224% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QG2   VAL   43  10.38 +/- 2.04   0.817% *  0.0083% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.58 +/- 0.77   2.522% *  0.0021% (0.02   1.0  1.00   0.02   1.55) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.28 +/- 3.49   0.310% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.9:
    * O T QD1   LEU   31 - QD2   LEU   31   2.02 +/- 0.08  88.697% * 99.9324% (1.00  10.0 10.00   4.62 231.88) =  99.991%  kept
        T QD1   LEU   31 - QG2   VAL   43   7.87 +/- 4.06  11.303% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.009%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.39, residual support = 38.4:
    * O T QB    GLN   32 - HA    GLN   32   2.49 +/- 0.06  46.431% * 48.1302% (0.69  10.0 10.00   3.20  45.23) =  78.106%  kept
        T QB    GLN   32 - HA    LYS+  33   3.98 +/- 0.14  11.711% * 49.5293% (0.71   1.0 10.00   4.37  15.12) =  20.272%  kept
        T QB    GLN   32 - HA    GLU-  29   2.94 +/- 0.47  31.575% *  1.4598% (0.45   1.0 10.00   0.09   0.02) =   1.611%  kept
          HG3   GLU- 100 - HA    GLN   32  11.21 +/- 3.55   2.969% *  0.0385% (0.55   1.0  1.00   0.02   0.02) =   0.004%
          HG3   GLU- 100 - HA    LYS+  33  11.04 +/- 3.35   1.243% *  0.0397% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - HA    GLU-  29  19.74 +/- 5.59   0.934% *  0.0289% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    LYS+  33  17.72 +/- 4.77   0.572% *  0.0457% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.64 +/- 0.57   0.625% *  0.0310% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    GLN   32  18.47 +/- 4.97   0.351% *  0.0444% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  13.92 +/- 1.12   0.283% *  0.0477% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  14.39 +/- 3.55   0.495% *  0.0251% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.14 +/- 0.58   0.175% *  0.0491% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  15.03 +/- 5.07   1.682% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.18 +/- 3.65   0.072% *  0.0952% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  25.97 +/- 4.22   0.079% *  0.0620% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  26.84 +/- 3.08   0.047% *  0.0980% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  15.48 +/- 4.51   0.387% *  0.0076% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  31.59 +/- 3.26   0.025% *  0.0952% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  16.40 +/- 3.83   0.292% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  32.90 +/- 2.39   0.021% *  0.0980% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  30.85 +/- 3.96   0.030% *  0.0620% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.688, support = 3.35, residual support = 41.2:
    * O T QG    GLN   32 - HA    GLN   32   2.22 +/- 0.21  69.065% * 48.1808% (0.69  10.0 10.00   3.20  45.23) =  87.040%  kept
        T QG    GLN   32 - HA    LYS+  33   4.81 +/- 0.71   9.503% * 49.5813% (0.71   1.0 10.00   4.55  15.12) =  12.324%  kept
        T QG    GLN   32 - HA    GLU-  29   4.44 +/- 0.78  16.303% *  1.4614% (0.45   1.0 10.00   0.09   0.02) =   0.623%  kept
        T HB2   GLU- 100 - HA    GLN   32  11.75 +/- 3.56   2.388% *  0.1340% (0.19   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   GLU- 100 - HA    LYS+  33  11.84 +/- 2.78   0.735% *  0.1379% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    GLU-  29  15.06 +/- 3.52   0.638% *  0.0872% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU-  29  19.45 +/- 6.05   0.236% *  0.0272% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  21.04 +/- 4.93   0.148% *  0.0418% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  26.42 +/- 2.99   0.051% *  0.0981% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  22.09 +/- 4.63   0.113% *  0.0430% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  25.99 +/- 3.89   0.061% *  0.0621% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.55 +/- 2.21   0.091% *  0.0292% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.46 +/- 1.20   0.074% *  0.0301% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  21.98 +/- 2.13   0.081% *  0.0190% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  23.08 +/- 3.91   0.094% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.64 +/- 3.74   0.069% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  24.24 +/- 2.82   0.067% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  22.55 +/- 4.10   0.093% *  0.0070% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.30 +/- 3.55   0.059% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.55 +/- 4.55   0.078% *  0.0070% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  25.75 +/- 3.29   0.055% *  0.0095% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.71, support = 3.35, residual support = 37.4:
    * O T HA    GLN   32 - QB    GLN   32   2.49 +/- 0.06  50.843% * 45.7257% (0.69  10.0 10.00   3.20  45.23) =  75.640%  kept
        T HA    LYS+  33 - QB    GLN   32   3.98 +/- 0.14  12.823% * 50.8728% (0.76   1.0 10.00   4.37  15.12) =  21.225%  kept
        T HA    GLU-  29 - QB    GLN   32   2.94 +/- 0.47  34.602% *  2.7823% (0.90   1.0 10.00   0.09   0.02) =   3.132%  kept
          HA    VAL   18 - QB    GLN   32  12.63 +/- 1.79   0.508% *  0.0614% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    GLN   32  13.21 +/- 2.90   0.658% *  0.0298% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  23.11 +/- 8.82   0.251% *  0.0642% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  27.46 +/- 2.77   0.043% *  0.3240% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  24.65 +/- 4.53   0.093% *  0.0614% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  21.71 +/- 3.15   0.115% *  0.0298% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  26.68 +/- 5.81   0.064% *  0.0483% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.19, residual support = 45.2:
    * O T QG    GLN   32 - QB    GLN   32   2.10 +/- 0.03  96.994% * 99.7611% (1.00  10.0 10.00   3.19  45.23) =  99.999%  kept
          HB2   GLU- 100 - QB    GLN   32  11.75 +/- 3.12   2.295% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QB    GLN   32  18.70 +/- 4.98   0.252% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  19.83 +/- 1.44   0.123% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  20.97 +/- 3.39   0.124% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  22.40 +/- 3.64   0.120% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  23.49 +/- 3.14   0.092% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.7, support = 3.34, residual support = 40.7:
    * O T HA    GLN   32 - QG    GLN   32   2.22 +/- 0.21  71.680% * 45.7363% (0.69  10.0 10.00   3.20  45.23) =  85.657%  kept
        T HA    LYS+  33 - QG    GLN   32   4.81 +/- 0.71   9.861% * 50.8845% (0.76   1.0 10.00   4.55  15.12) =  13.110%  kept
        T HA    GLU-  29 - QG    GLN   32   4.44 +/- 0.78  16.910% *  2.7830% (0.90   1.0 10.00   0.09   0.02) =   1.230%  kept
        T HA    GLN  116 - QG    GLN   32  22.52 +/- 3.41   0.100% *  0.2985% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    GLN   32  13.84 +/- 1.97   0.452% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    GLN   32  13.98 +/- 2.78   0.573% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  24.09 +/- 8.62   0.222% *  0.0643% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.71 +/- 4.93   0.087% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  27.62 +/- 5.88   0.070% *  0.0483% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.40 +/- 3.36   0.044% *  0.0324% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.19, residual support = 45.2:
    * O T QB    GLN   32 - QG    GLN   32   2.10 +/- 0.03  91.369% * 99.6746% (1.00  10.0 10.00   3.19  45.23) =  99.993%  kept
          HG3   GLU- 100 - QG    GLN   32  11.36 +/- 3.55   6.560% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB2   PRO   68 - QG    GLN   32  18.05 +/- 4.83   0.711% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - QG    GLN   32  12.80 +/- 1.41   0.470% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - QG    GLN   32  14.90 +/- 4.10   0.704% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  24.65 +/- 4.05   0.147% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.41 +/- 3.57   0.039% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 0.979, support = 6.39, residual support = 150.4:
    * O T QB    LYS+  33 - HA    LYS+  33   2.18 +/- 0.04  64.795% * 74.3318% (1.00  10.0 10.00   6.49 154.56) =  97.136%  kept
        T QB    LYS+  33 - HA    GLN   32   5.40 +/- 0.15   4.274% * 19.1160% (0.26   1.0 10.00   4.86  15.12) =   1.648%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.78 +/- 1.60  13.864% *  4.3223% (0.28   1.0 10.00   0.42   0.02) =   1.209%  kept
          HB3   LYS+  38 - HA    LYS+  33   9.67 +/- 1.54   4.261% *  0.0306% (0.41   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HA    LYS+  33  25.95 +/- 5.80   0.058% *  0.7174% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  23.01 +/- 7.43   0.124% *  0.2003% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   8.12 +/- 0.44   1.302% *  0.0185% (0.25   1.0  1.00   0.02   0.51) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.19 +/- 4.60   0.338% *  0.0686% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.76 +/- 0.30   3.658% *  0.0052% (0.07   1.0  1.00   0.02  26.24) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  24.56 +/- 6.42   0.079% *  0.1845% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  17.52 +/- 2.59   0.202% *  0.0703% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.13 +/- 1.55   1.404% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  18.44 +/- 2.39   0.131% *  0.0729% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  13.89 +/- 2.42   1.116% *  0.0085% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.59 +/- 0.29   1.581% *  0.0048% (0.06   1.0  1.00   0.02   1.81) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  19.98 +/- 5.45   0.364% *  0.0192% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  16.63 +/- 4.35   0.372% *  0.0181% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.58 +/- 1.39   0.094% *  0.0703% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  18.71 +/- 4.85   0.239% *  0.0176% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  32.21 +/- 2.14   0.021% *  0.1853% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.34 +/- 3.82   0.187% *  0.0196% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  19.07 +/- 3.38   0.164% *  0.0203% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  17.71 +/- 3.01   0.157% *  0.0187% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  22.58 +/- 6.30   0.143% *  0.0185% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.58 +/- 2.74   0.130% *  0.0181% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.26 +/- 2.38   0.108% *  0.0196% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  32.08 +/- 4.43   0.026% *  0.0737% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.62 +/- 3.22   0.024% *  0.0717% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.43 +/- 2.48   0.038% *  0.0421% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.34 +/- 3.53   0.028% *  0.0517% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.96 +/- 2.83   0.024% *  0.0477% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  29.42 +/- 6.19   0.047% *  0.0206% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  23.06 +/- 6.76   0.186% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.26 +/- 3.13   0.060% *  0.0117% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  30.65 +/- 5.57   0.035% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  22.44 +/- 6.30   0.136% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  30.01 +/- 4.02   0.031% *  0.0200% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.58 +/- 2.96   0.052% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.71 +/- 3.64   0.029% *  0.0184% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.81 +/- 2.91   0.032% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.78 +/- 4.21   0.046% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.56 +/- 4.17   0.041% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.947, support = 6.08, residual support = 144.3:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.46 +/- 0.25  44.913% * 73.2207% (1.00  10.0 10.00   6.28 154.56) =  92.827%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.77 +/- 0.64  10.829% * 18.8303% (0.26   1.0 10.00   4.23  15.12) =   5.756%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.31 +/- 1.24  11.356% *  4.2518% (0.28   1.0 10.00   0.42   0.02) =   1.363%  kept
        T HG3   LYS+ 102 - HA    LYS+  33  16.82 +/- 2.84   0.507% *  0.6926% (0.95   1.0 10.00   0.02   0.02) =   0.010%
          QB    ALA   12 - HA    LYS+  33  15.34 +/- 4.92   4.645% *  0.0586% (0.80   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+  65 - HA    LYS+  33  21.76 +/- 3.44   0.272% *  0.7257% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - HA    GLN   32  16.18 +/- 4.49   0.899% *  0.1781% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+  33  20.31 +/- 1.77   0.258% *  0.5863% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    GLU-  29  21.41 +/- 4.52   0.548% *  0.2026% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    GLU-  29  18.56 +/- 4.07   0.489% *  0.1934% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  33  15.31 +/- 4.24   0.830% *  0.0707% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLN   32  19.26 +/- 3.30   0.384% *  0.1508% (0.21   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+  33  14.40 +/- 1.81   0.789% *  0.0726% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLN   32  21.78 +/- 3.73   0.285% *  0.1866% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLU-  29  20.27 +/- 2.72   0.282% *  0.1637% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  12.61 +/- 1.44   1.175% *  0.0385% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  14.69 +/- 4.83   2.098% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  13.60 +/- 5.19   1.488% *  0.0197% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  11.82 +/- 3.29   2.457% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLN   32  14.06 +/- 2.38   1.074% *  0.0187% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLN   32  15.87 +/- 4.64   1.127% *  0.0151% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.07 +/- 2.40   0.834% *  0.0203% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  14.85 +/- 4.07   0.871% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.46 +/- 2.89   1.287% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.04 +/- 2.41   0.905% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  19.78 +/- 6.35   0.473% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  18.08 +/- 1.65   0.349% *  0.0204% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  13.21 +/- 4.31   2.445% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  28.94 +/- 2.77   0.089% *  0.0657% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.13 +/- 3.80   1.259% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  16.26 +/- 2.88   0.609% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  24.07 +/- 4.20   0.187% *  0.0163% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.13 +/- 2.71   0.160% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  20.78 +/- 6.53   0.566% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  25.04 +/- 6.50   0.231% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  19.44 +/- 6.53   0.495% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  27.96 +/- 3.99   0.123% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.67 +/- 1.65   0.379% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  28.06 +/- 3.22   0.106% *  0.0169% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  22.26 +/- 8.06   0.521% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  21.67 +/- 5.65   0.351% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  22.74 +/- 5.06   0.277% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.63 +/- 3.31   0.223% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  23.57 +/- 7.25   0.354% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.14 +/- 3.22   0.201% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.945, support = 4.86, residual support = 143.9:
    *   T QD    LYS+  33 - HA    LYS+  33   3.73 +/- 0.77  54.637% * 76.4890% (1.00 10.00   5.03 154.56) =  92.536%  kept
        T QD    LYS+  33 - HA    GLN   32   6.21 +/- 1.28  13.898% * 19.6708% (0.26 10.00   3.35  15.12) =   6.054%  kept
        T QD    LYS+  33 - HA    GLU-  29   5.84 +/- 1.57  25.591% *  2.4770% (0.28 10.00   0.23   0.02) =   1.404%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  30.91 +/- 2.23   0.128% *  0.6860% (0.90 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HA    LYS+  33  22.69 +/- 6.85   0.571% *  0.0765% (1.00  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  29.92 +/- 3.05   0.160% *  0.1915% (0.25 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLN   32  29.71 +/- 2.96   0.156% *  0.1764% (0.23 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  22.63 +/- 2.29   0.319% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  33  19.87 +/- 2.55   0.486% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  23.44 +/- 7.28   0.949% *  0.0214% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  22.69 +/- 6.83   0.600% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  18.17 +/- 3.45   0.681% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.55 +/- 3.31   0.433% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.03 +/- 2.69   0.452% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.36 +/- 2.37   0.513% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  32.42 +/- 3.61   0.121% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  30.77 +/- 4.18   0.152% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.48 +/- 3.95   0.153% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.16 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.768, support = 5.16, residual support = 111.5:
    *   T QE    LYS+  33 - HA    LYS+  33   3.85 +/- 0.70  26.237% * 48.7661% (1.00 10.00   5.70 154.56) =  68.514%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.32 +/- 0.19  19.177% * 13.3453% (0.27 10.00   5.74  32.54) =  13.704%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.32 +/- 0.41   9.918% * 16.6345% (0.34 10.00   2.94   5.56) =   8.835%  kept
        T HB2   ASN   35 - HA    GLN   32   4.73 +/- 1.12  20.405% *  4.2779% (0.09 10.00   2.02   3.33) =   4.674%  kept
        T QE    LYS+  33 - HA    GLN   32   6.87 +/- 0.97   4.514% * 12.5412% (0.26 10.00   3.60  15.12) =   3.032%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.92 +/- 1.35   7.711% *  2.8373% (0.28 10.00   0.42   0.02) =   1.172%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.75 +/- 1.12   1.299% *  0.4780% (0.98 10.00   0.02   0.02) =   0.033%
        T HB2   ASN   28 - HA    GLN   32   8.18 +/- 1.07   3.079% *  0.1229% (0.25 10.00   0.02   0.02) =   0.020%
        T QE    LYS+  65 - HA    LYS+  33  20.45 +/- 3.03   0.194% *  0.4373% (0.90 10.00   0.02   0.02) =   0.005%
        T HB2   ASN   35 - HA    GLU-  29   9.57 +/- 1.21   1.797% *  0.0464% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLU-  29  19.93 +/- 4.15   0.255% *  0.1221% (0.25 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HA    GLN   32  20.49 +/- 3.32   0.247% *  0.1125% (0.23 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    LYS+  33  15.40 +/- 4.68   2.465% *  0.0075% (0.15  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LYS+  33  23.55 +/- 3.60   0.140% *  0.1086% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  20.87 +/- 5.05   0.248% *  0.0303% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  27.42 +/- 6.15   0.155% *  0.0335% (0.69  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  22.51 +/- 3.87   0.168% *  0.0279% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  25.60 +/- 7.61   0.330% *  0.0086% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  27.35 +/- 3.83   0.090% *  0.0315% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  25.06 +/- 7.89   0.299% *  0.0094% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  24.48 +/- 5.28   0.153% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.50 +/- 4.09   0.624% *  0.0019% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  26.23 +/- 4.22   0.108% *  0.0081% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  18.48 +/- 4.28   0.387% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.986, support = 6.21, residual support = 145.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.18 +/- 0.04  70.073% * 67.3301% (1.00  10.0 10.00   6.49 154.56) =  94.210%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.78 +/- 1.60  14.994% * 13.5336% (0.97   1.0 10.00   0.42   0.02) =   4.052%  kept
        T HA    GLN   32 - QB    LYS+  33   5.40 +/- 0.15   4.625% * 18.7203% (0.28   1.0 10.00   4.86  15.12) =   1.729%  kept
          HA    VAL   70 - QB    LYS+  33  11.37 +/- 3.53   4.577% *  0.0584% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   18 - QB    LYS+  33  11.50 +/- 2.36   1.802% *  0.0637% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QB    LYS+  33   6.94 +/- 1.44   3.531% *  0.0150% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  23.96 +/- 7.25   0.133% *  0.0604% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  20.96 +/- 3.02   0.107% *  0.0584% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  27.29 +/- 2.18   0.037% *  0.1039% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  24.36 +/- 4.12   0.075% *  0.0354% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  27.29 +/- 4.24   0.047% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 154.5:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.48 +/- 0.09  89.352% * 96.3761% (1.00  10.0 10.00   6.31 154.56) =  99.975%  kept
        T QB    LEU   98 - QB    LYS+  33  11.08 +/- 0.95   1.105% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 102 - QB    LYS+  33  15.12 +/- 2.60   0.550% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - QB    LYS+  33  18.59 +/- 3.38   0.345% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QB    LYS+  33  13.26 +/- 4.52   3.278% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QB    LYS+  33  17.66 +/- 1.68   0.277% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  12.58 +/- 4.07   1.267% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QB    LYS+  33  12.31 +/- 1.82   0.981% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    LYS+  33  17.29 +/- 5.75   0.678% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.41 +/- 1.80   0.905% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  15.05 +/- 2.01   0.470% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  25.05 +/- 2.80   0.102% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.53 +/- 2.54   0.198% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  20.75 +/- 3.73   0.213% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  21.51 +/- 5.92   0.278% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 154.5:
    * O T QD    LYS+  33 - QB    LYS+  33   2.31 +/- 0.26  98.381% * 97.3258% (1.00  10.0 10.00   5.13 154.56) =  99.988%  kept
        T HB3   LEU  123 - QB    LYS+  33  19.81 +/- 6.31   0.826% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T HD2   LYS+  74 - QB    LYS+  33  16.71 +/- 2.81   0.406% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  26.92 +/- 2.28   0.073% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  19.44 +/- 2.23   0.240% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  28.04 +/- 3.30   0.073% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 154.4:
    *   T QE    LYS+  33 - QB    LYS+  33   2.43 +/- 0.37  75.983% * 96.4337% (1.00 10.00   5.64 154.56) =  99.862%  kept
          HB2   ASN   35 - QB    LYS+  33   6.63 +/- 0.39   4.155% *  2.2487% (0.34  1.00   1.37   5.56) =   0.127%  kept
        T QE    LYS+  65 - QB    LYS+  33  17.48 +/- 2.96   0.298% *  0.8648% (0.90 10.00   0.02   0.02) =   0.004%
          HB2   ASN   69 - QB    LYS+  33  13.53 +/- 4.69  16.508% *  0.0149% (0.15  1.00   0.02   0.02) =   0.003%
          HB2   ASN   28 - QB    LYS+  33   9.11 +/- 1.35   2.444% *  0.0945% (0.98  1.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - QB    LYS+  33  19.99 +/- 3.66   0.237% *  0.2147% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  23.85 +/- 5.22   0.240% *  0.0662% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  23.33 +/- 3.74   0.136% *  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 = 0.954, support = 5.87, residual support = 138.7:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.46 +/- 0.25  37.698% * 64.4912% (1.00  10.0 10.00   6.28 154.56) =  89.164%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.77 +/- 0.64   9.200% * 17.9310% (0.28   1.0 10.00   4.23  15.12) =   6.050%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.31 +/- 1.24   9.638% * 12.9450% (0.97   1.0 10.00   0.42   0.02) =   4.576%  kept
          HA    VAL   18 - HG3   LYS+  65  14.14 +/- 7.29   4.526% *  0.8163% (0.82   1.0  1.00   0.31   0.02) =   0.135%  kept
          HA    VAL   70 - HG3   LYS+  33  11.50 +/- 3.41   4.390% *  0.0559% (0.87   1.0  1.00   0.02   0.02) =   0.009%
        T HA    GLU-  29 - HG3   LYS+  65  21.41 +/- 4.52   0.454% *  0.5375% (0.83   1.0 10.00   0.02   0.02) =   0.009%
          HA    SER   48 - HG3   LYS+  65  15.74 +/- 5.85   7.886% *  0.0293% (0.45   1.0  1.00   0.02   0.02) =   0.008%
          HB2   SER   37 - HG3   LYS+  33   7.62 +/- 2.50  10.312% *  0.0144% (0.22   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  33 - HG3   LYS+ 102  16.82 +/- 2.84   0.442% *  0.3204% (0.50   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU-  29 - HG3   LYS+ 102  18.56 +/- 4.07   0.416% *  0.3092% (0.48   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  33 - HG3   LYS+  65  21.76 +/- 3.44   0.228% *  0.5569% (0.86   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   18 - HG3   LYS+  33  11.61 +/- 2.50   1.839% *  0.0610% (0.95   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 106  20.27 +/- 2.72   0.233% *  0.3955% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  20.31 +/- 1.77   0.220% *  0.4098% (0.64   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+ 102  16.18 +/- 4.49   0.788% *  0.0891% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  65  12.12 +/- 1.09   1.015% *  0.0483% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HG3   LYS+  65  23.99 +/- 6.58   0.910% *  0.0499% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HG3   LYS+  65  14.14 +/- 2.34   0.860% *  0.0483% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+  65  21.78 +/- 3.73   0.242% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 106  19.26 +/- 3.30   0.325% *  0.1139% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  20.25 +/- 3.66   0.491% *  0.0632% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  14.58 +/- 2.27   0.748% *  0.0355% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  14.90 +/- 2.58   0.744% *  0.0355% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 102  16.66 +/- 3.61   0.758% *  0.0278% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  26.02 +/- 8.11   0.238% *  0.0578% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+ 106  19.21 +/- 3.55   0.309% *  0.0388% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  22.33 +/- 2.78   0.196% *  0.0559% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  21.21 +/- 5.06   0.276% *  0.0368% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.71 +/- 2.90   0.456% *  0.0216% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  14.79 +/- 4.28   1.211% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.27 +/- 3.73   0.209% *  0.0303% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  25.49 +/- 6.67   0.189% *  0.0287% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.15 +/- 4.50   0.149% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  16.91 +/- 3.38   0.548% *  0.0086% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.47 +/- 2.84   0.165% *  0.0278% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  25.79 +/- 5.43   0.248% *  0.0172% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  19.13 +/- 2.84   0.289% *  0.0126% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  18.36 +/- 2.13   0.322% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.89 +/- 2.02   0.222% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.05 +/- 3.83   0.157% *  0.0169% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  29.64 +/- 5.26   0.087% *  0.0199% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  25.57 +/- 4.18   0.130% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.07 +/- 4.06   0.164% *  0.0049% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.35 +/- 2.65   0.071% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.844, support = 6.14, residual support = 145.7:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.48 +/- 0.09  34.815% * 52.3867% (1.00  10.0 10.00   6.31 154.56) =  61.045%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.46 +/- 0.11  35.709% * 31.4901% (0.60  10.0 10.00   5.93 135.64) =  37.638%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.77 +/- 0.49   2.980% *  7.4401% (0.62   1.0  1.00   4.56  23.78) =   0.742%  kept
          HB    ILE  103 - HG3   LYS+ 102   6.04 +/- 0.79   3.053% *  5.3245% (0.47   1.0  1.00   4.33  23.51) =   0.544%  kept
          HB    ILE  103 - HG3   LYS+ 106   5.81 +/- 1.68   4.267% *  0.0315% (0.60   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  81 - HG3   LYS+  65  20.10 +/- 6.23   2.894% *  0.0437% (0.83   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.25 +/- 1.23   0.423% *  0.2462% (0.47   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HG3   LYS+  65   9.39 +/- 2.43   1.853% *  0.0418% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  33 - HG3   LYS+  65  18.59 +/- 3.38   0.131% *  0.4524% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HG3   LYS+ 102  15.12 +/- 2.60   0.205% *  0.2602% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  18.24 +/- 1.69   0.098% *  0.4956% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   5.62 +/- 0.82   3.673% *  0.0131% (0.25   1.0  1.00   0.02   0.51) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  65  18.84 +/- 2.31   0.098% *  0.4279% (0.82   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  17.66 +/- 1.68   0.107% *  0.3329% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+ 102  15.84 +/- 4.30   2.954% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  33  16.64 +/- 4.33   0.589% *  0.0484% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+  65  14.48 +/- 3.24   0.545% *  0.0437% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  33  10.27 +/- 1.52   0.716% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+ 106  21.91 +/- 4.48   0.451% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.40 +/- 1.61   0.528% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  13.67 +/- 2.37   0.446% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  16.63 +/- 2.69   0.219% *  0.0496% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  17.09 +/- 2.73   0.164% *  0.0513% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  23.71 +/- 5.18   0.093% *  0.0448% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  16.28 +/- 2.88   0.205% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  19.52 +/- 1.91   0.080% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.43 +/- 3.33   0.107% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  24.22 +/- 6.02   0.060% *  0.0506% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  19.64 +/- 3.19   0.092% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  20.92 +/- 6.00   0.226% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  19.54 +/- 1.84   0.082% *  0.0330% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.19 +/- 3.15   0.223% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  22.73 +/- 2.17   0.050% *  0.0428% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  22.13 +/- 4.11   0.078% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.14 +/- 2.81   0.166% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  20.66 +/- 3.29   0.094% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  17.41 +/- 3.24   0.152% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  29.99 +/- 4.72   0.026% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  29.35 +/- 3.38   0.025% *  0.0506% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.00 +/- 2.74   0.150% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  24.62 +/- 4.41   0.049% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.23 +/- 2.30   0.037% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  19.39 +/- 1.82   0.079% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.82 +/- 4.43   0.042% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.76 +/- 3.93   0.123% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.26 +/- 0.96   0.193% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.11 +/- 3.37   0.150% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.60 +/- 3.25   0.113% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  20.15 +/- 3.91   0.123% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  27.31 +/- 2.96   0.031% *  0.0258% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.40 +/- 2.87   0.039% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.90 +/- 5.37   0.056% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.65 +/- 3.26   0.034% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.01 +/- 2.55   0.020% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.87 +/- 3.74   0.038% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.48 +/- 1.94   0.044% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.64, residual support = 154.5:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.33 +/- 0.16  88.586% * 94.8130% (1.00  10.0 10.00   4.65 154.56) =  99.981%  kept
        T QD    LYS+  33 - HG3   LYS+  65  17.61 +/- 3.67   0.408% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.78 +/- 2.06   0.453% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG3   LYS+  65   8.97 +/- 2.10   2.683% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 102  15.96 +/- 2.79   0.379% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 106  17.84 +/- 2.16   0.232% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HG3   LYS+  65  10.18 +/- 2.85   2.774% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.26 +/- 2.07   0.120% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  29.11 +/- 2.63   0.054% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  33  21.21 +/- 6.51   0.408% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.58 +/- 2.20   0.084% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  16.84 +/- 3.16   0.351% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.84 +/- 2.25   0.379% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  17.43 +/- 3.45   0.292% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  15.34 +/- 3.62   0.778% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  19.91 +/- 4.23   0.200% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.69 +/- 2.29   0.143% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.61 +/- 4.48   0.922% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.94 +/- 2.73   0.260% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  24.30 +/- 5.98   0.118% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.69 +/- 2.25   0.118% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  23.40 +/- 2.85   0.100% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.51 +/- 4.75   0.109% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  30.15 +/- 3.65   0.051% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.899, support = 4.84, residual support = 156.4:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.87 +/- 0.60  39.244% * 54.1070% (1.00  10.0 10.00   5.23 154.56) =  55.746%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.81 +/- 0.43  40.125% * 41.9036% (0.77  10.0 10.00   4.35 159.15) =  44.142%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.35 +/- 0.52   2.674% *  1.0771% (0.34   1.0  1.00   1.17   5.56) =   0.076%
        T HB2   ASP-  76 - HG3   LYS+  65  15.00 +/- 4.07   7.050% *  0.1040% (0.19   1.0 10.00   0.02   0.02) =   0.019%
        T QE    LYS+  33 - HG3   LYS+  65  18.49 +/- 3.82   0.254% *  0.4672% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+  33  18.50 +/- 3.26   0.174% *  0.4852% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 102  16.17 +/- 2.37   0.266% *  0.2688% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HG3   LYS+  65  17.24 +/- 4.85   2.196% *  0.0302% (0.56   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.60 +/- 1.06   1.185% *  0.0530% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 106  18.42 +/- 2.20   0.181% *  0.3438% (0.64   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+ 106  20.23 +/- 2.62   0.140% *  0.3084% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HG3   LYS+  33  14.25 +/- 4.19   2.402% *  0.0083% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  21.28 +/- 4.40   0.148% *  0.1205% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.00 +/- 2.43   0.059% *  0.2410% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  23.68 +/- 5.51   0.374% *  0.0321% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  21.08 +/- 4.54   0.262% *  0.0458% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  17.40 +/- 5.00   0.504% *  0.0236% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  19.25 +/- 2.72   0.143% *  0.0765% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.60 +/- 4.79   0.305% *  0.0263% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.07 +/- 3.85   0.161% *  0.0337% (0.62   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  24.87 +/- 3.26   0.071% *  0.0598% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  25.75 +/- 6.27   0.103% *  0.0372% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  22.57 +/- 6.02   0.204% *  0.0185% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.28 +/- 1.33   0.476% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  15.89 +/- 4.23   0.349% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  25.07 +/- 4.51   0.076% *  0.0350% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.99 +/- 2.50   0.104% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.54 +/- 3.58   0.104% *  0.0159% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.12 +/- 3.14   0.135% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  18.19 +/- 3.47   0.267% *  0.0053% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.94 +/- 4.75   0.214% *  0.0041% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.47 +/- 2.93   0.050% *  0.0174% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.951, support = 4.68, residual support = 137.8:
    *   T HA    LYS+  33 - QD    LYS+  33   3.73 +/- 0.77  37.490% * 70.4642% (1.00 10.00   5.03 154.56) =  88.508%  kept
        T HA    GLN   32 - QD    LYS+  33   6.21 +/- 1.28  10.000% * 19.5917% (0.28 10.00   3.35  15.12) =   6.564%  kept
        T HA    GLU-  29 - QD    LYS+  33   5.84 +/- 1.57  18.503% *  7.8879% (0.97 10.00   0.23   0.02) =   4.890%  kept
          HB2   SER   37 - QD    LYS+  33   7.61 +/- 2.52  15.880% *  0.0157% (0.22  1.00   0.02   0.02) =   0.008%
          HA    VAL   18 - QD    LYS+  33  10.12 +/- 2.04   3.567% *  0.0667% (0.95  1.00   0.02   0.02) =   0.008%
          HA    VAL   70 - QD    LYS+  33  11.08 +/- 3.02   3.729% *  0.0611% (0.87  1.00   0.02   0.02) =   0.008%
          HA    GLN  116 - HD3   LYS+ 111  11.68 +/- 0.96   1.485% *  0.0548% (0.78  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HD3   LYS+ 111  29.92 +/- 3.05   0.103% *  0.6094% (0.86 10.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HD3   LYS+ 111  15.95 +/- 4.41   5.963% *  0.0097% (0.14  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  30.91 +/- 2.23   0.086% *  0.6314% (0.90 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QD    LYS+  33  20.36 +/- 2.87   0.460% *  0.0611% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  23.97 +/- 7.17   0.389% *  0.0632% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HD3   LYS+ 111  19.83 +/- 3.72   0.624% *  0.0332% (0.47  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  29.71 +/- 2.96   0.102% *  0.1756% (0.25 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HD3   LYS+ 111  22.86 +/- 3.07   0.263% *  0.0548% (0.78  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  25.62 +/- 4.26   0.204% *  0.0597% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  25.76 +/- 4.35   0.199% *  0.0566% (0.80  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.85 +/- 4.41   0.225% *  0.0371% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.87 +/- 2.97   0.343% *  0.0195% (0.28  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  27.29 +/- 4.54   0.150% *  0.0217% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.72 +/- 2.82   0.136% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  29.27 +/- 2.16   0.098% *  0.0141% (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 = 0.998, support = 5.12, residual support = 154.2:
    * O T QB    LYS+  33 - QD    LYS+  33   2.31 +/- 0.26  76.883% * 92.6314% (1.00  10.0 10.00   5.13 154.56) =  99.758%  kept
          HB3   GLN   30 - QD    LYS+  33   5.60 +/- 0.91   8.597% *  1.6729% (0.25   1.0  1.00   1.45   0.51) =   0.201%  kept
        T HG3   PRO   68 - QD    LYS+  33  15.31 +/- 4.03   2.131% *  0.8551% (0.92   1.0 10.00   0.02   0.02) =   0.026%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.48 +/- 2.87   0.333% *  0.8011% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU  123 - QD    LYS+  33  18.93 +/- 5.41   0.718% *  0.2310% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HD3   LYS+ 111  13.39 +/- 4.56   4.616% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   LYS+ 111  11.67 +/- 1.83   0.826% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  26.61 +/- 3.35   0.071% *  0.8940% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   68 - HD3   LYS+ 111  24.27 +/- 2.84   0.072% *  0.7663% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.28 +/- 1.48   1.387% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  26.92 +/- 2.28   0.057% *  0.8301% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  33  16.10 +/- 2.95   0.488% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD3   LYS+ 111  11.36 +/- 1.70   0.871% *  0.0470% (0.51   1.0  1.00   0.02   1.77) =   0.001%
        T HG    LEU  123 - HD3   LYS+ 111  18.57 +/- 1.57   0.175% *  0.2070% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD    LYS+  33  15.92 +/- 2.52   0.385% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  15.24 +/- 2.34   0.350% *  0.0814% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.09 +/- 1.82   0.244% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  18.99 +/- 2.37   0.172% *  0.0823% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  21.64 +/- 4.39   0.169% *  0.0801% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  22.17 +/- 5.47   0.143% *  0.0894% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.62 +/- 2.32   0.149% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.54 +/- 2.49   0.773% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  27.46 +/- 4.19   0.059% *  0.0918% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.97 +/- 2.52   0.097% *  0.0524% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.33 +/- 2.74   0.061% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  29.82 +/- 2.92   0.039% *  0.0341% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  26.33 +/- 3.11   0.060% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.46 +/- 2.96   0.074% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 153.5:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.33 +/- 0.16  81.336% * 79.1714% (1.00  10.0 10.00   4.65 154.56) =  99.179%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.58 +/- 1.21   3.418% * 15.0897% (0.80   1.0  1.00   4.74  28.51) =   0.794%  kept
        T HG3   LYS+  65 - QD    LYS+  33  17.61 +/- 3.67   0.375% *  0.7847% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 102 - QD    LYS+  33  15.96 +/- 2.79   0.348% *  0.7489% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.78 +/- 2.06   0.416% *  0.5681% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QD    LYS+  33  12.32 +/- 4.54   3.382% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QD    LYS+  33  17.84 +/- 2.16   0.213% *  0.6340% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QD    LYS+  33  11.81 +/- 5.00   1.562% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.26 +/- 2.07   0.110% *  0.7032% (0.89   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.00 +/- 2.14   0.948% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.58 +/- 2.20   0.077% *  0.6711% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  11.38 +/- 2.72   2.530% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  17.14 +/- 2.41   0.238% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  29.11 +/- 2.63   0.049% *  0.7095% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  11.53 +/- 1.31   0.782% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HD3   LYS+ 111  21.39 +/- 5.18   0.230% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.04 +/- 2.17   0.179% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  14.16 +/- 2.93   0.526% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  17.12 +/- 5.09   0.481% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.21 +/- 4.44   0.455% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.86 +/- 1.92   0.644% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.27 +/- 3.26   0.444% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  18.58 +/- 1.44   0.184% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  24.48 +/- 3.21   0.093% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.00 +/- 2.90   0.194% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  29.45 +/- 4.84   0.060% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  20.58 +/- 4.02   0.175% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  21.21 +/- 6.15   0.241% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.47 +/- 4.52   0.191% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.50 +/- 2.23   0.119% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 154.5:
    * O T QE    LYS+  33 - QD    LYS+  33   2.09 +/- 0.03  90.786% * 96.5704% (1.00  10.0 10.00   4.33 154.56) =  99.989%  kept
        T QE    LYS+  65 - QD    LYS+  33  16.56 +/- 3.53   0.353% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.58 +/- 4.81   0.889% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - QD    LYS+  33   8.86 +/- 1.39   1.796% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HD3   LYS+ 111  21.05 +/- 2.20   0.106% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   7.67 +/- 1.01   2.414% *  0.0329% (0.34   1.0  1.00   0.02   5.56) =   0.001%
          HB2   ASP-  78 - HD3   LYS+ 111  22.36 +/- 5.11   1.312% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  27.48 +/- 3.13   0.048% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  19.46 +/- 4.17   0.159% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  13.35 +/- 3.72   1.690% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  23.88 +/- 5.37   0.112% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.16 +/- 3.84   0.101% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  22.85 +/- 4.20   0.090% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.06 +/- 4.14   0.046% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.90 +/- 3.05   0.031% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  25.57 +/- 3.71   0.067% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.964, support = 5.31, residual support = 139.4:
    *   T HA    LYS+  33 - QE    LYS+  33   3.85 +/- 0.70  33.434% * 66.2672% (1.00 10.00   5.70 154.56) =  89.769%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.92 +/- 1.35  10.237% * 13.3272% (0.97 10.00   0.42   0.02) =   5.528%  kept
        T HA    GLN   32 - QE    LYS+  33   6.87 +/- 0.97   6.127% * 18.4248% (0.28 10.00   3.60  15.12) =   4.574%  kept
          HA    VAL   18 - QE    LYS+  65  13.49 +/- 6.84   4.137% *  0.4993% (0.49  1.00   0.31   0.02) =   0.084%
          HB2   SER   37 - QE    LYS+  33   7.49 +/- 3.02  18.134% *  0.0148% (0.22  1.00   0.02   0.02) =   0.011%
          HA    VAL   18 - QE    LYS+  33  10.93 +/- 2.57   2.554% *  0.0627% (0.95  1.00   0.02   0.02) =   0.006%
          HA    VAL   70 - QE    LYS+  33  11.73 +/- 3.33   2.403% *  0.0575% (0.87  1.00   0.02   0.02) =   0.006%
        T HA    GLU-  29 - QE    LYS+  65  19.93 +/- 4.15   0.352% *  0.3288% (0.50 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  33 - QE    LYS+  65  20.45 +/- 3.03   0.262% *  0.3407% (0.51 10.00   0.02   0.02) =   0.004%
          HA    SER   48 - QE    LYS+  65  14.73 +/- 5.45   4.101% *  0.0179% (0.27  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QE    LYS+  65  20.49 +/- 3.32   0.357% *  0.0947% (0.14 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  65  12.66 +/- 0.69   1.115% *  0.0295% (0.45  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  11.05 +/- 5.47   5.877% *  0.0052% (0.08  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  65  22.13 +/- 6.45   0.973% *  0.0306% (0.46  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  65  14.09 +/- 2.14   0.936% *  0.0295% (0.45  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   ASP-  76  20.87 +/- 5.05   0.289% *  0.0954% (0.14 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  21.13 +/- 2.83   0.392% *  0.0575% (0.87  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  23.55 +/- 3.60   0.168% *  0.0988% (0.15 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASP-  76  17.05 +/- 9.05   1.535% *  0.0094% (0.14  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  25.20 +/- 7.28   0.211% *  0.0594% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  11.70 +/- 1.37   1.318% *  0.0089% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  15.73 +/- 3.58   1.181% *  0.0053% (0.08  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  22.51 +/- 3.87   0.199% *  0.0275% (0.04 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.82 +/- 4.37   0.154% *  0.0349% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  23.90 +/- 5.36   0.412% *  0.0105% (0.16  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  17.57 +/- 1.35   0.417% *  0.0086% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  19.06 +/- 2.09   0.328% *  0.0076% (0.11  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  20.28 +/- 2.22   0.289% *  0.0086% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  28.41 +/- 4.67   0.099% *  0.0205% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  15.23 +/- 1.79   0.637% *  0.0031% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  15.11 +/- 4.33   1.091% *  0.0015% (0.02  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.66 +/- 2.89   0.101% *  0.0102% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  22.57 +/- 1.96   0.183% *  0.0022% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 154.5:
    *   T QB    LYS+  33 - QE    LYS+  33   2.43 +/- 0.37  74.224% * 97.4819% (1.00 10.00   5.64 154.56) =  99.960%  kept
          HB3   GLN   30 - QE    LYS+  33   6.95 +/- 0.85   3.849% *  0.5022% (0.25  1.00   0.41   0.51) =   0.027%
          HG3   PRO   68 - QE    LYS+  33  15.81 +/- 4.40   1.807% *  0.0900% (0.92  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - QE    LYS+  65  17.48 +/- 2.96   0.312% *  0.5011% (0.51 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QE    LYS+  33  10.37 +/- 1.97   2.163% *  0.0401% (0.41  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  65  10.12 +/- 2.08   1.645% *  0.0463% (0.47  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+  65  18.51 +/- 5.68   1.407% *  0.0484% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.65 +/- 1.44   4.106% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  33  16.41 +/- 2.51   0.450% *  0.0922% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QE    LYS+  65  13.36 +/- 3.35   0.853% *  0.0484% (0.50  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  19.99 +/- 3.66   0.228% *  0.1454% (0.15 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  16.64 +/- 2.98   0.307% *  0.0956% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.66 +/- 1.99   0.258% *  0.0922% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.43 +/- 2.13   0.678% *  0.0284% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  23.24 +/- 5.55   0.173% *  0.0941% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  21.93 +/- 5.04   0.248% *  0.0497% (0.51  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  18.35 +/- 2.20   0.258% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  19.25 +/- 1.59   0.200% *  0.0491% (0.50  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  19.51 +/- 5.37   0.368% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  14.11 +/- 2.68   0.612% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  28.57 +/- 4.29   0.080% *  0.0966% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  27.54 +/- 3.52   0.073% *  0.0941% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  14.92 +/- 2.77   0.524% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.04 +/- 2.15   0.130% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.93 +/- 2.70   0.106% *  0.0552% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  16.50 +/- 3.10   0.396% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  17.24 +/- 3.03   0.328% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  17.21 +/- 2.57   0.310% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  17.02 +/- 2.98   0.321% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  19.85 +/- 2.73   0.190% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.52 +/- 2.44   0.364% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  19.59 +/- 3.24   0.204% *  0.0134% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  19.03 +/- 3.70   0.341% *  0.0077% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  21.04 +/- 2.58   0.150% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.05 +/- 3.82   0.912% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.33 +/- 1.46   0.137% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  16.78 +/- 4.86   0.534% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.47 +/- 3.17   0.110% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.09 +/- 4.21   0.401% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  28.27 +/- 2.77   0.059% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  23.91 +/- 2.03   0.087% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  23.96 +/- 2.76   0.097% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.831, support = 4.93, residual support = 156.1:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.87 +/- 0.60  35.041% * 63.8684% (1.00  10.0 10.00   5.23 154.56) =  65.656%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.81 +/- 0.43  35.930% * 32.5421% (0.51  10.0 10.00   4.35 159.15) =  34.301%  kept
        T HG3   LYS+  65 - HB2   ASP-  76  15.00 +/- 4.07   6.337% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+  65 - QE    LYS+  33  18.49 +/- 3.82   0.228% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QE    LYS+  33  16.17 +/- 2.37   0.238% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QE    LYS+  33  12.84 +/- 4.93   2.757% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - QE    LYS+  33  18.42 +/- 2.20   0.162% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - QE    LYS+  65  18.50 +/- 3.26   0.156% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QE    LYS+  33  12.99 +/- 5.10   0.739% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  65  20.23 +/- 2.62   0.125% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.88 +/- 2.63   0.515% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  25.00 +/- 2.43   0.053% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  12.03 +/- 1.24   0.452% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  12.74 +/- 1.67   0.445% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  21.28 +/- 4.40   0.132% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  13.22 +/- 1.21   0.371% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  16.81 +/- 4.66   1.395% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  17.61 +/- 4.92   0.612% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  19.25 +/- 2.72   0.128% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  10.40 +/- 2.40   1.031% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  15.81 +/- 2.48   0.290% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  16.99 +/- 4.67   0.250% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.83 +/- 1.61   0.628% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  24.87 +/- 3.26   0.064% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.51 +/- 2.73   0.633% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.65 +/- 1.19   3.441% *  0.0015% (0.02   1.0  1.00   0.02   1.23) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  15.36 +/- 3.01   0.273% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  17.74 +/- 5.11   0.888% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   8.24 +/- 1.71   1.674% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  25.37 +/- 3.29   0.067% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.44 +/- 1.93   0.372% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.09 +/- 6.47   0.443% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   8.35 +/- 1.14   1.482% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.04 +/- 1.53   0.173% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.72 +/- 1.33   0.281% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.38 +/- 2.94   0.967% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.78 +/- 4.11   0.173% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  21.58 +/- 4.09   0.103% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  22.47 +/- 6.31   0.141% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.05 +/- 3.21   0.085% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  16.39 +/- 2.07   0.234% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  18.26 +/- 1.62   0.136% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.42 +/- 2.22   0.132% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.97 +/- 3.08   0.155% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  23.48 +/- 1.96   0.067% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 154.5:
    * O T QD    LYS+  33 - QE    LYS+  33   2.09 +/- 0.03  86.643% * 97.4730% (1.00  10.0 10.00   4.33 154.56) =  99.992%  kept
        T QD    LYS+  33 - QE    LYS+  65  16.56 +/- 3.53   0.338% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QE    LYS+  65   8.61 +/- 2.46   3.177% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.58 +/- 4.81   0.851% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+  33  19.56 +/- 6.00   0.558% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  21.05 +/- 2.20   0.101% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+  65   9.88 +/- 2.98   1.555% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  27.48 +/- 3.13   0.046% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.12 +/- 1.33   3.546% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  19.46 +/- 4.17   0.152% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  13.15 +/- 3.59   1.604% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  16.96 +/- 3.69   0.230% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  16.32 +/- 2.71   0.247% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.56 +/- 2.34   0.126% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.12 +/- 3.48   0.502% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  28.27 +/- 3.70   0.043% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  25.82 +/- 2.67   0.055% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  17.95 +/- 3.35   0.228% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 1.93, residual support = 24.8:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  72.128% * 97.7194% (0.80  10.0 10.00   1.93  24.95) =  99.442%  kept
          QG2   THR   39 - HA    ALA   34   5.03 +/- 1.89  23.338% *  1.6816% (0.25   1.0  1.00   1.11   5.13) =   0.554%  kept
          HG3   LYS+  38 - HA    ALA   34   7.61 +/- 1.03   2.055% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   34 - HA    ALA  124  15.98 +/- 5.96   0.448% *  0.2243% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  14.51 +/- 1.25   0.250% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  22.23 +/- 6.23   0.406% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.02 +/- 1.48   0.094% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  16.80 +/- 5.98   0.515% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  20.87 +/- 9.20   0.256% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.93 +/- 1.71   0.136% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.31 +/- 2.12   0.168% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.15 +/- 2.97   0.094% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  22.30 +/- 1.79   0.067% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.45 +/- 1.43   0.044% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 24.9:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  89.751% * 98.8230% (0.80  10.0 10.00   1.93  24.95) =  99.989%  kept
        T HA    ALA  124 - QB    ALA   34  15.98 +/- 5.96   0.540% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASN   28 - QB    ALA   34   6.74 +/- 0.63   3.124% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.004%
          HA1   GLY  101 - QB    ALA   34   9.57 +/- 1.98   1.704% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   34   6.54 +/- 0.17   3.145% *  0.0170% (0.14   1.0  1.00   0.02   0.27) =   0.001%
          HA    THR   26 - QB    ALA   34   9.63 +/- 0.98   1.103% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.12 +/- 1.99   0.239% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  18.87 +/- 2.39   0.151% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.31 +/- 2.31   0.103% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  20.32 +/- 3.74   0.139% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 0.999, support = 4.02, residual support = 54.6:
    * O T HB2   ASN   35 - HA    ASN   35   2.62 +/- 0.11  72.732% * 98.4270% (1.00  10.0 10.00   4.02  54.66) =  99.933%  kept
        T HB2   ASN   35 - HA    LEU   40  10.17 +/- 1.93  10.804% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.056%
        T HB2   ASN   28 - HA    ASN   35  12.95 +/- 1.16   0.686% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    ASN   35   8.03 +/- 1.01   3.248% *  0.0336% (0.34   1.0  1.00   0.02   5.56) =   0.002%
        T HB2   ASN   28 - HA    GLU-  15  15.01 +/- 3.95   1.136% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    GLU-  15  15.19 +/- 2.86   0.484% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  14.95 +/- 1.41   0.462% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    GLU-  15  10.39 +/- 4.93   4.527% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.29 +/- 1.74   1.710% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  26.57 +/- 5.55   0.149% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.15 +/- 2.57   0.197% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  16.42 +/- 5.76   0.767% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.42 +/- 1.32   0.335% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  21.92 +/- 3.79   0.191% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  28.21 +/- 8.36   0.382% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.18 +/- 2.23   0.467% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.48 +/- 2.60   0.155% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.06 +/- 1.79   0.741% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.14 +/- 2.65   0.268% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  19.77 +/- 3.85   0.255% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.85 +/- 4.33   0.304% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 86.2:
    * O T QB    GLU-  36 - HA    GLU-  36   2.46 +/- 0.16  94.285% * 98.9106% (1.00  10.0 10.00   5.55  86.25) =  99.992%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.66 +/- 1.45   0.772% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          HG3   GLU- 100 - HA    GLU-  36  10.32 +/- 3.63   4.330% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLU-  36  14.67 +/- 1.52   0.493% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  27.05 +/- 3.19   0.081% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  34.85 +/- 3.72   0.039% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.69 +/- 0.75  99.025% * 99.8378% (1.00  10.0 10.00   3.62  86.25) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  19.70 +/- 1.78   0.508% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.05 +/- 3.55   0.284% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  29.85 +/- 5.40   0.183% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.18 +/- 0.52  95.676% * 99.2256% (1.00  10.0 10.00   3.62  86.25) =  99.987%  kept
        T QB    MET   11 - HA    GLU-  36  18.96 +/- 5.48   3.187% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.012%
          QG    GLU- 114 - HA    GLU-  36  24.87 +/- 1.97   0.229% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.42 +/- 1.57   0.477% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  27.06 +/- 3.49   0.211% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  31.48 +/- 2.60   0.124% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.67 +/- 1.67   0.096% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.69 +/- 0.75  98.778% * 99.7630% (1.00  10.0 10.00   3.62  86.25) =  99.999%  kept
          HA    ALA  124 - HG2   GLU-  36  22.53 +/- 8.58   0.593% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  31.15 +/- 4.76   0.141% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.28 +/- 3.32   0.352% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  32.53 +/- 3.25   0.136% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.2:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.41 +/- 0.13  91.665% * 98.9106% (1.00  10.0 10.00   4.28  86.25) =  99.989%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  12.14 +/- 2.20   1.029% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.010%
          HG3   GLU- 100 - HG2   GLU-  36  10.93 +/- 4.40   6.432% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG2   GLU-  36  14.17 +/- 2.45   0.760% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  27.30 +/- 4.00   0.079% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  35.14 +/- 4.10   0.036% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.2:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  98.901% * 99.2256% (1.00  10.0 10.00   3.00  86.25) =  99.996%  kept
        T QB    MET   11 - HG2   GLU-  36  19.00 +/- 6.39   0.910% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HG2   GLU-  36  20.06 +/- 2.58   0.088% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  25.32 +/- 2.12   0.036% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  27.32 +/- 4.18   0.033% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  31.81 +/- 3.12   0.018% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.19 +/- 2.20   0.014% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.2:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.18 +/- 0.52  90.910% * 99.6097% (1.00  10.0 10.00   3.62  86.25) =  99.995%  kept
        T HA    GLU-  36 - QB    MET   11  18.96 +/- 5.48   3.029% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA  124 - HG3   GLU-  36  22.20 +/- 8.66   0.803% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QB    MET   11  22.67 +/- 7.76   2.843% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  30.93 +/- 4.80   0.160% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  21.83 +/- 3.86   0.502% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  32.14 +/- 3.44   0.125% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  28.48 +/- 7.18   0.278% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  27.78 +/- 6.77   0.515% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.23 +/- 5.80   0.836% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.2:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.33 +/- 0.16  87.774% * 99.4418% (1.00  10.0  1.00   4.28  86.25) =  99.996%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.82 +/- 2.21   1.261% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HG3   GLU-  36  11.02 +/- 4.47   6.177% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  13.91 +/- 2.47   0.846% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  24.49 +/- 6.97   0.219% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  16.24 +/- 5.13   1.133% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  16.46 +/- 5.07   0.954% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  16.45 +/- 5.80   1.222% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  27.02 +/- 4.08   0.074% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  32.02 +/- 6.54   0.071% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  34.84 +/- 4.15   0.032% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.27 +/- 4.20   0.235% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.2:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  98.395% * 99.6937% (1.00  10.0 10.00   3.00  86.25) =  99.999%  kept
        T HG2   GLU-  36 - QB    MET   11  19.00 +/- 6.39   0.905% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG3   GLU-  36  20.01 +/- 2.16   0.076% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  24.20 +/- 4.04   0.049% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  21.63 +/- 6.21   0.196% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.14 +/- 7.99   0.297% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  30.08 +/- 5.67   0.033% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  25.27 +/- 4.59   0.049% *  0.0115% (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 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 = 2.59, residual support = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.88 +/- 0.17  76.861% * 98.0025% (1.00  10.0 10.00   2.60  29.68) =  99.979%  kept
        T HB2   SER   37 - HA    SER   13  16.75 +/- 5.66   1.113% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.008%
          HA1   GLY   16 - HA    SER   37  15.41 +/- 6.36   4.494% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   SER   37 - HA    THR   46  24.33 +/- 1.44   0.136% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   37   7.70 +/- 1.23   5.976% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13  10.20 +/- 1.43   2.474% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   37  11.71 +/- 2.02   1.550% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HA    SER   13  15.27 +/- 5.45   4.973% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  15.35 +/- 1.78   0.606% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  24.32 +/- 7.30   0.264% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.38 +/- 1.71   0.418% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  17.02 +/- 3.95   0.659% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  24.38 +/- 3.22   0.151% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  25.06 +/- 4.60   0.207% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  26.03 +/- 2.51   0.119% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.657, support = 2.35, residual support = 21.1:
    * O T HB3   SER   37 - HA    SER   37   2.70 +/- 0.25  37.876% * 66.5727% (0.84  10.0 10.00   2.60  29.68) =  63.295%  kept
      O T QB    SER   13 - HA    SER   13   2.39 +/- 0.15  52.388% * 27.5513% (0.35  10.0 10.00   1.93   6.27) =  36.231%  kept
          HB    THR   39 - HA    SER   37   5.47 +/- 0.83   5.485% *  3.3130% (0.69   1.0  1.00   1.21   4.58) =   0.456%  kept
        T QB    SER   13 - HA    SER   37  15.18 +/- 5.33   0.536% *  0.5156% (0.65   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   SER   37 - HA    SER   13  16.63 +/- 5.93   0.481% *  0.3557% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    THR   46  10.12 +/- 2.56   1.928% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   SER   37 - HA    THR   46  25.01 +/- 1.44   0.048% *  0.6596% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  24.77 +/- 3.83   0.061% *  0.5109% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  14.72 +/- 1.93   0.261% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  17.21 +/- 5.49   0.307% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  21.93 +/- 3.23   0.083% *  0.0795% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.49 +/- 1.64   0.215% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  24.05 +/- 4.42   0.104% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.44 +/- 1.32   0.065% *  0.0542% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  31.07 +/- 3.63   0.028% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.69 +/- 4.84   0.041% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  32.12 +/- 5.59   0.031% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.10 +/- 8.61   0.061% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 2.59, residual support = 29.6:
    * O T HA    SER   37 - HB2   SER   37   2.88 +/- 0.17  79.515% * 96.7860% (1.00  10.0 10.00   2.60  29.68) =  99.798%  kept
          HA    LEU   40 - HB2   SER   37   6.76 +/- 1.33   9.767% *  1.4455% (0.38   1.0  1.00   0.80   0.75) =   0.183%  kept
        T HA    SER   13 - HB2   SER   37  16.75 +/- 5.66   1.154% *  0.5480% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HA    GLN   17 - HB2   SER   37  15.37 +/- 5.62   4.014% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - HB2   SER   37  13.84 +/- 6.00   4.192% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   46 - HB2   SER   37  24.33 +/- 1.44   0.141% *  0.9593% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.50 +/- 1.18   1.068% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  23.92 +/- 1.87   0.148% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 1.99, residual support = 29.3:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  79.906% * 93.2813% (0.84  10.0 10.00   2.00  29.68) =  98.504%  kept
          HB    THR   39 - HB2   SER   37   3.59 +/- 1.18  19.631% *  5.7534% (0.69   1.0  1.00   1.50   4.58) =   1.493%  kept
        T QB    SER   13 - HB2   SER   37  14.83 +/- 5.24   0.339% *  0.7225% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR  118 - HB2   SER   37  19.78 +/- 2.90   0.071% *  0.1114% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  28.75 +/- 3.72   0.022% *  0.0933% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  26.70 +/- 4.86   0.032% *  0.0381% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.658, support = 2.35, residual support = 20.9:
    * O T HA    SER   37 - HB3   SER   37   2.70 +/- 0.25  36.751% * 68.0513% (0.84  10.0 10.00   2.60  29.68) =  62.521%  kept
      O T HA    SER   13 - QB    SER   13   2.39 +/- 0.15  50.820% * 29.4827% (0.36  10.0 10.00   1.93   6.27) =  37.456%  kept
        T HA    SER   37 - QB    SER   13  15.18 +/- 5.33   0.520% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.007%
        T HA    SER   13 - HB3   SER   37  16.63 +/- 5.93   0.468% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - QB    SER   13   6.69 +/- 1.03   3.504% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - HB3   SER   37  15.79 +/- 5.30   1.249% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   7.58 +/- 1.79   3.120% *  0.0255% (0.31   1.0  1.00   0.02   0.75) =   0.002%
          HA    GLN   17 - QB    SER   13   9.73 +/- 1.90   1.291% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   SER   37  14.05 +/- 5.93   1.187% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  25.01 +/- 1.44   0.047% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.77 +/- 3.83   0.059% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.24 +/- 1.40   0.342% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.04 +/- 3.64   0.316% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.43 +/- 3.52   0.157% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.27 +/- 4.32   0.116% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.47 +/- 2.43   0.054% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  82.353% * 98.1382% (0.84  10.0 10.00   2.00  29.68) =  99.979%  kept
        T HA    VAL   70 - HB3   SER   37  10.59 +/- 2.76   1.175% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - HB3   SER   37  14.52 +/- 6.59   6.268% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   SER   37 - QB    SER   13  14.83 +/- 5.24   0.346% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.003%
        T HA    VAL   70 - QB    SER   13  15.50 +/- 4.05   0.311% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    SER   13  13.47 +/- 5.14   5.707% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.36 +/- 1.53   1.054% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB3   SER   37   7.00 +/- 1.55   2.664% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QB    SER   13  22.88 +/- 4.45   0.077% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  22.96 +/- 3.09   0.046% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.92, residual support = 220.9:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.80 +/- 0.19  86.336% * 99.6880% (1.00  10.0 10.00   6.92 220.94) =  99.996%  kept
        T HB2   LYS+  38 - HA    GLU- 100  10.02 +/- 2.14   2.808% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HA    LYS+  38  14.73 +/- 1.72   0.752% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  38  12.88 +/- 1.90   1.450% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    LYS+  38  14.44 +/- 3.40   1.736% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.87 +/- 1.79   1.366% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  18.69 +/- 1.59   0.315% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.89 +/- 4.04   0.949% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  31.21 +/- 3.12   0.077% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.35 +/- 4.04   1.408% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.43 +/- 4.08   1.160% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  14.99 +/- 2.81   1.135% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.62 +/- 4.22   0.420% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  29.83 +/- 2.87   0.086% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 220.9:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.66 +/- 0.19  78.507% * 98.2125% (1.00  10.0 10.00   5.91 220.94) =  99.987%  kept
          QB    LYS+  33 - HA    LYS+  38   7.74 +/- 1.17   6.518% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HA    LYS+  38  10.61 +/- 2.03   2.391% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LYS+  38  14.88 +/- 2.87   0.805% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+  38 - HA    GLU- 100   9.84 +/- 2.28   2.578% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HA    LYS+  38  24.59 +/- 3.60   0.132% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LYS+  38  15.24 +/- 3.18   0.916% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  29.77 +/- 3.76   0.073% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  17.75 +/- 1.52   0.301% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.10 +/- 2.43   0.435% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.37 +/- 2.70   0.106% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.25 +/- 3.50   1.263% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.39 +/- 1.98   0.081% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.48 +/- 2.96   0.108% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.53 +/- 2.46   2.052% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.57 +/- 2.36   0.087% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  30.90 +/- 2.82   0.060% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.27 +/- 0.85   1.510% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.25 +/- 0.73   0.556% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.14 +/- 1.27   0.730% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.99 +/- 2.19   0.095% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.74 +/- 1.26   0.093% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  25.07 +/- 3.84   0.134% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  18.68 +/- 3.58   0.330% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  29.36 +/- 2.83   0.070% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.92 +/- 3.65   0.070% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.98, support = 6.91, residual support = 217.1:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.62 +/- 0.71  56.480% * 93.0706% (1.00  10.0 10.00   6.93 220.94) =  97.881%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.31 +/- 0.66  19.954% *  5.5125% (0.06   1.0 10.00   5.89  39.84) =   2.048%  kept
        T HG2   LYS+  99 - HA    LYS+  38   8.90 +/- 2.94   3.632% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.062%
          HB2   LEU   31 - HA    LYS+  38   9.08 +/- 1.51   2.721% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  38 - HA    GLU- 100   9.39 +/- 2.62   2.953% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    LYS+  38  16.86 +/- 3.09   0.897% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  38  11.37 +/- 2.50   1.248% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  17.02 +/- 7.32   0.659% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  11.54 +/- 3.66   3.141% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.13 +/- 1.81   0.232% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.73 +/- 1.13   0.236% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  25.64 +/- 3.71   0.082% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  27.43 +/- 2.43   0.075% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  24.80 +/- 4.26   0.105% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   6.94 +/- 1.67   6.152% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.29 +/- 2.38   0.262% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.86 +/- 1.89   0.249% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  19.18 +/- 6.18   0.391% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  23.65 +/- 3.92   0.104% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  24.42 +/- 5.65   0.133% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  19.13 +/- 1.69   0.217% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  25.92 +/- 1.56   0.078% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.10 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.979, support = 6.58, residual support = 202.0:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.40 +/- 0.53  29.212% * 76.1500% (1.00  10.0 10.00   6.89 220.94) =  90.449%  kept
          QG2   THR   39 - HA    LYS+  38   5.08 +/- 0.54   9.586% * 16.1749% (0.90   1.0  1.00   4.74  29.75) =   6.304%  kept
          QB    ALA   34 - HA    LYS+  38   3.95 +/- 0.85  22.859% *  2.2136% (0.80   1.0  1.00   0.73   0.02) =   2.057%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.18 +/- 0.78   9.866% *  1.7270% (0.02   1.0 10.00   4.96  39.84) =   0.693%  kept
        T HG3   LYS+  99 - HA    LYS+  38   9.31 +/- 3.38   3.508% *  3.3974% (0.38   1.0 10.00   0.24   0.02) =   0.485%  kept
        T HG3   LYS+  38 - HA    GLU- 100   9.93 +/- 2.85   2.657% *  0.0460% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   39 - HA    GLU- 100   7.31 +/- 2.80  12.237% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HA    LYS+  38   9.41 +/- 1.91   2.097% *  0.0235% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  38  13.98 +/- 2.69   0.719% *  0.0431% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    GLU- 100   7.47 +/- 1.76   4.894% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  21.01 +/- 1.89   0.144% *  0.0720% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  17.20 +/- 1.42   0.243% *  0.0341% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.52 +/- 2.31   0.093% *  0.0683% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  18.75 +/- 2.12   0.193% *  0.0260% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.61 +/- 2.87   0.409% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.73 +/- 3.80   0.389% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  13.50 +/- 2.87   0.558% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.56 +/- 1.78   0.115% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.50 +/- 2.34   0.096% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  21.24 +/- 2.28   0.125% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 220.8:
    *   T QD    LYS+  38 - HA    LYS+  38   3.58 +/- 0.49  67.132% * 97.0123% (1.00 10.00   6.02 220.94) =  99.960%  kept
          QD    LYS+ 102 - HA    LYS+  38  13.91 +/- 3.58   8.393% *  0.0777% (0.80  1.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HA    GLU- 100   9.20 +/- 2.65  10.354% *  0.0586% (0.06 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  65 - HA    LYS+  38  18.79 +/- 2.51   0.622% *  0.8955% (0.92 10.00   0.02   0.02) =   0.009%
        T HB    VAL   83 - HA    LYS+  38  24.52 +/- 4.11   0.295% *  0.9362% (0.97 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HA    LYS+  38  18.86 +/- 1.99   0.562% *  0.3309% (0.34 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LYS+  38  17.36 +/- 6.10   1.402% *  0.0870% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HA    LYS+  38  19.98 +/- 7.08   1.111% *  0.0549% (0.57  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  28.79 +/- 2.33   0.151% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.31 +/- 0.70   6.421% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  23.74 +/- 5.19   0.436% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  22.04 +/- 2.47   0.376% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  25.69 +/- 2.57   0.198% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  21.36 +/- 2.51   0.418% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.58 +/- 5.02   0.871% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.84 +/- 1.72   0.180% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.28 +/- 1.38   0.170% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  22.12 +/- 5.45   0.491% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.44 +/- 1.69   0.203% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.36 +/- 1.07   0.215% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.92, residual support = 220.9:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.80 +/- 0.19  96.236% * 99.6785% (1.00  10.0 10.00   6.92 220.94) =  99.992%  kept
        T HA    GLU- 100 - HB2   LYS+  38  10.02 +/- 2.14   3.130% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.007%
          HA    VAL   24 - HB2   LYS+  38  18.69 +/- 2.35   0.373% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  27.77 +/- 4.25   0.137% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  27.11 +/- 3.14   0.124% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 220.9:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  96.820% * 98.9214% (1.00  10.0 10.00   5.73 220.94) =  99.998%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.89 +/- 1.28   2.055% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB2   LYS+  38  12.87 +/- 2.01   0.332% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  33.11 +/- 2.60   0.016% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.59 +/- 2.82   0.246% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.22 +/- 3.25   0.206% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.64 +/- 1.40   0.073% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.05 +/- 2.40   0.104% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.23 +/- 3.04   0.031% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  26.13 +/- 3.90   0.046% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.61 +/- 1.86   0.021% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.36 +/- 2.69   0.028% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  31.55 +/- 4.02   0.021% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 220.9:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.69 +/- 0.14  91.355% * 98.5858% (1.00  10.0 10.00   6.74 220.94) =  99.967%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  10.53 +/- 2.87   2.826% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.030%
          HB2   LEU   31 - HB2   LYS+  38  11.32 +/- 1.90   1.831% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  38  17.47 +/- 7.78   1.338% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  18.55 +/- 3.29   0.551% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.48 +/- 2.48   1.366% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  20.91 +/- 1.93   0.226% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  27.47 +/- 3.61   0.109% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.82 +/- 1.19   0.210% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  29.40 +/- 2.69   0.080% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  26.88 +/- 3.97   0.109% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 6.2, residual support = 214.0:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.53 +/- 0.34  75.694% * 80.4311% (1.00  10.0 10.00   6.28 220.94) =  96.437%  kept
          QG2   THR   39 - HB2   LYS+  38   5.66 +/- 0.96  12.618% * 16.1489% (0.90   1.0  1.00   4.48  29.75) =   3.228%  kept
          QB    ALA   34 - HB2   LYS+  38   6.01 +/- 0.84   7.205% *  2.8361% (0.80   1.0  1.00   0.88   0.02) =   0.324%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  10.93 +/- 3.26   2.129% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   71 - HB2   LYS+  38  10.79 +/- 1.86   1.307% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  15.70 +/- 2.94   0.462% *  0.0455% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.57 +/- 2.02   0.118% *  0.0761% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.33 +/- 2.19   0.108% *  0.0721% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  18.92 +/- 1.52   0.199% *  0.0361% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  20.63 +/- 2.30   0.160% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 220.9:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.66 +/- 0.19  96.218% * 99.5407% (1.00  10.0 10.00   5.91 220.94) =  99.992%  kept
        T HA    GLU- 100 - HB3   LYS+  38   9.84 +/- 2.28   3.152% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.007%
          HA    VAL   24 - HB3   LYS+  38  18.31 +/- 2.76   0.375% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  26.20 +/- 3.30   0.128% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  26.88 +/- 4.19   0.127% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 220.9:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  98.024% * 99.2933% (1.00  10.0 10.00   5.73 220.94) =  99.999%  kept
          HB3   GLU-  29 - HB3   LYS+  38  15.00 +/- 2.55   0.633% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  16.82 +/- 2.39   0.219% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  15.24 +/- 3.93   0.523% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  12.46 +/- 2.02   0.507% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  32.49 +/- 2.93   0.017% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  20.64 +/- 2.38   0.078% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 220.8:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.00 +/- 0.06  85.256% * 98.5858% (1.00  10.0 10.00   5.64 220.94) =  99.931%  kept
        T HG2   LYS+  99 - HB3   LYS+  38  10.15 +/- 3.16   5.624% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.065%
          HB2   LEU   31 - HB3   LYS+  38  11.19 +/- 1.97   2.416% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HB3   LYS+  38  17.19 +/- 7.89   2.346% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+  38  17.64 +/- 3.51   0.984% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+  38  12.82 +/- 2.65   2.277% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  20.10 +/- 2.09   0.354% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  26.69 +/- 3.68   0.168% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.91 +/- 1.46   0.309% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  28.45 +/- 2.95   0.112% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  26.01 +/- 3.82   0.155% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.44, residual support = 214.8:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.66 +/- 0.16  71.646% * 82.8878% (1.00  10.0 10.00   5.50 220.94) =  96.823%  kept
          QG2   THR   39 - HB3   LYS+  38   5.53 +/- 0.91  12.575% * 14.3804% (0.90   1.0  1.00   3.87  29.75) =   2.948%  kept
          QB    ALA   34 - HB3   LYS+  38   5.95 +/- 0.75   8.987% *  1.4243% (0.80   1.0  1.00   0.43   0.02) =   0.209%  kept
        T HG3   LYS+  99 - HB3   LYS+  38  10.51 +/- 3.56   3.220% *  0.3111% (0.38   1.0 10.00   0.02   0.02) =   0.016%
        T QG2   ILE   56 - HB3   LYS+  38  21.75 +/- 2.13   0.162% *  0.7841% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  10.18 +/- 2.03   2.200% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  15.54 +/- 3.16   0.644% *  0.0469% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  18.83 +/- 1.83   0.247% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.57 +/- 2.19   0.099% *  0.0743% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  19.88 +/- 2.70   0.221% *  0.0283% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.9:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.36 +/- 0.31  93.708% * 98.0597% (1.00  10.0 10.00   4.63 220.94) =  99.991%  kept
          QD    LYS+ 102 - HB3   LYS+  38  14.86 +/- 4.08   4.309% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HB3   LYS+  38  19.27 +/- 2.93   0.285% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HB3   LYS+  38  19.92 +/- 2.52   0.236% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  18.24 +/- 6.31   0.494% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.37 +/- 7.71   0.615% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  29.74 +/- 2.88   0.060% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.77 +/- 3.83   0.107% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  26.87 +/- 2.66   0.112% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.11 +/- 1.75   0.072% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 6.91, residual support = 217.1:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.62 +/- 0.71  66.243% * 93.7297% (1.00  10.0 10.00   6.93 220.94) =  97.865%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.31 +/- 0.66  23.494% *  5.6871% (0.06   1.0 10.00   5.89  39.84) =   2.106%  kept
        T HA    LYS+  38 - HG2   LYS+  99   8.90 +/- 2.94   4.250% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T HA    GLU- 100 - HG2   LYS+  38   9.39 +/- 2.62   3.481% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          HA    VAL   24 - HG2   LYS+  99  17.92 +/- 3.98   1.719% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  38  18.14 +/- 2.65   0.312% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  27.20 +/- 3.28   0.147% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  27.09 +/- 4.62   0.088% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  24.77 +/- 5.31   0.127% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.51 +/- 2.31   0.138% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 220.9:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.69 +/- 0.14  88.184% * 99.4277% (1.00  10.0 10.00   6.74 220.94) =  99.990%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  10.53 +/- 2.87   2.728% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU-  29 - HG2   LYS+  38  16.04 +/- 2.10   0.583% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  14.17 +/- 2.21   1.030% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  15.79 +/- 3.86   1.056% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.59 +/- 2.16   1.115% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  17.06 +/- 3.61   0.654% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  13.42 +/- 3.46   2.146% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.14 +/- 2.14   0.261% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  15.51 +/- 3.59   0.876% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.32 +/- 3.43   0.844% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  20.64 +/- 3.97   0.401% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  32.95 +/- 3.10   0.053% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  29.58 +/- 2.17   0.070% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 220.9:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.00 +/- 0.06  69.983% * 98.9095% (1.00  10.0 10.00   5.64 220.94) =  99.972%  kept
        T HB3   LYS+  38 - HG2   LYS+  99  10.15 +/- 3.16   4.640% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.018%
          HB3   GLN   30 - HG2   LYS+  38  12.41 +/- 2.36   1.996% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HG2   LYS+  99  12.94 +/- 3.91   6.410% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG2   LYS+  38   8.85 +/- 1.10   3.494% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG2   LYS+  99  10.63 +/- 3.23   3.618% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  38  16.03 +/- 3.37   0.918% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  19.22 +/- 1.67   0.288% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.65 +/- 3.09   0.678% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99   9.87 +/- 1.15   2.357% *  0.0067% (0.07   1.0  1.00   0.02   0.71) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.84 +/- 1.07   0.968% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.54 +/- 1.11   1.819% *  0.0083% (0.08   1.0  1.00   0.02   0.48) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.80 +/- 2.47   0.387% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  27.25 +/- 2.91   0.107% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  26.25 +/- 4.10   0.153% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.23 +/- 1.95   0.080% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  16.92 +/- 4.67   1.098% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.85 +/- 3.05   0.111% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.90 +/- 2.11   0.155% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  32.64 +/- 2.79   0.060% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.76 +/- 1.02   0.127% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.03 +/- 2.49   0.150% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  25.45 +/- 3.70   0.142% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  31.53 +/- 4.04   0.076% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  29.15 +/- 2.10   0.082% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.17 +/- 3.53   0.101% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.916, support = 6.52, residual support = 214.6:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  42.061% * 73.1378% (1.00  10.0 10.00   6.55 220.94) =  89.831%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  42.061% *  7.4808% (0.10  10.0 10.00   6.59 173.11) =   9.188%  kept
          QG2   THR   39 - HG2   LYS+  38   6.06 +/- 1.08   1.599% * 13.9726% (0.90   1.0  1.00   4.26  29.75) =   0.652%  kept
          QB    ALA   34 - HG2   LYS+  38   5.65 +/- 1.40   7.555% *  1.2567% (0.80   1.0  1.00   0.43   0.02) =   0.277%  kept
        T HG3   LYS+  99 - HG2   LYS+  38  10.53 +/- 3.46   0.470% *  3.3067% (0.38   1.0 10.00   0.24   0.02) =   0.045%
        T HG3   LYS+  38 - HG2   LYS+  99  10.55 +/- 3.40   0.508% *  0.1993% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HG2   LYS+  99   7.29 +/- 2.43   3.098% *  0.0160% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HG2   LYS+  99   8.03 +/- 2.57   1.688% *  0.0179% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HG2   LYS+  38  20.54 +/- 2.55   0.031% *  0.2495% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.16 +/- 2.08   0.328% *  0.0226% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  15.71 +/- 3.01   0.080% *  0.0414% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.56 +/- 2.26   0.030% *  0.0680% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.59 +/- 2.15   0.022% *  0.0692% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.57 +/- 1.65   0.038% *  0.0328% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  12.63 +/- 3.56   0.195% *  0.0062% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.04 +/- 2.23   0.016% *  0.0656% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.48 +/- 3.94   0.095% *  0.0089% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.70 +/- 2.30   0.070% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.94 +/- 1.73   0.031% *  0.0189% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.11 +/- 1.77   0.023% *  0.0179% (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 = 220.8:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.38 +/- 0.14  87.576% * 96.4250% (1.00  10.0 10.00   5.75 220.94) =  99.958%  kept
        T QD    LYS+  38 - HG2   LYS+  99   9.64 +/- 3.02   5.298% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T QD    LYS+ 102 - HG2   LYS+  38  14.70 +/- 3.72   1.613% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+ 102 - HG2   LYS+  99   8.82 +/- 1.40   2.364% *  0.2104% (0.22   1.0 10.00   0.02   1.54) =   0.006%
        T QD    LYS+  65 - HG2   LYS+  38  20.05 +/- 3.17   0.218% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG2   LYS+  38  20.62 +/- 2.32   0.160% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  99  20.55 +/- 3.18   0.177% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+  38  19.12 +/- 6.42   0.375% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  21.41 +/- 7.75   0.390% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  14.47 +/- 4.90   0.690% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  20.70 +/- 2.51   0.174% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  30.49 +/- 2.53   0.047% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  26.05 +/- 4.22   0.086% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.98 +/- 1.49   0.081% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  18.80 +/- 5.60   0.323% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  27.55 +/- 2.56   0.064% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  24.12 +/- 4.85   0.135% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.02 +/- 1.30   0.089% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.69 +/- 1.80   0.054% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.25 +/- 0.83   0.086% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.87, residual support = 219.4:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.40 +/- 0.53  60.305% * 97.3136% (1.00  10.0 10.00   6.89 220.94) =  99.147%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.18 +/- 0.78  21.486% *  2.2608% (0.02   1.0 10.00   4.96  39.84) =   0.821%  kept
        T HA    GLU- 100 - HG3   LYS+  38   9.93 +/- 2.85   5.051% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.018%
        T HA    LYS+  38 - HG3   LYS+  99   9.31 +/- 3.38   7.438% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.013%
          HA    VAL   24 - HG3   LYS+  38  19.02 +/- 2.58   0.511% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  99  17.90 +/- 4.61   4.395% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  27.63 +/- 3.27   0.220% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  27.80 +/- 4.57   0.138% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  24.71 +/- 5.35   0.241% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  24.01 +/- 2.42   0.215% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 220.9:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.53 +/- 0.34  90.437% * 99.6340% (1.00  10.0 10.00   6.28 220.94) =  99.996%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  10.93 +/- 3.26   2.612% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HG3   LYS+  38  16.95 +/- 2.19   0.364% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.12 +/- 2.30   0.625% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  16.22 +/- 3.72   0.687% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.00 +/- 2.01   0.764% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.02 +/- 2.22   0.181% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  13.16 +/- 3.43   1.959% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  17.31 +/- 3.96   0.498% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  33.64 +/- 3.33   0.057% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  15.77 +/- 3.85   0.685% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.13 +/- 3.40   0.745% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  20.76 +/- 4.46   0.310% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  29.41 +/- 2.18   0.075% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 220.9:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.66 +/- 0.16  73.932% * 98.2474% (1.00  10.0 10.00   5.50 220.94) =  99.989%  kept
        T HB3   LYS+  38 - HG3   LYS+  99  10.51 +/- 3.56   3.306% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HG3   LYS+  38   9.73 +/- 1.16   2.548% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  13.42 +/- 2.13   0.962% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - HG3   LYS+  38  27.73 +/- 2.97   0.079% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  99  13.03 +/- 4.36   7.236% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  38  16.25 +/- 3.28   0.710% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  10.93 +/- 3.54   3.342% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  17.23 +/- 3.43   0.503% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  19.72 +/- 1.83   0.200% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.44 +/- 2.18   0.120% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  26.65 +/- 4.11   0.131% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.28 +/- 2.78   0.274% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.05 +/- 1.35   1.929% *  0.0032% (0.03   1.0  1.00   0.02   0.48) =   0.000%
          HB    ILE  103 - HG3   LYS+  99   9.73 +/- 1.64   2.367% *  0.0026% (0.03   1.0  1.00   0.02   0.71) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.50 +/- 1.29   0.883% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.90 +/- 2.04   0.055% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.52 +/- 2.74   0.074% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  33.31 +/- 3.04   0.040% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  16.64 +/- 4.58   0.796% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  31.97 +/- 4.23   0.056% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.48 +/- 0.91   0.098% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.56 +/- 2.47   0.120% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  25.37 +/- 3.85   0.107% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  28.99 +/- 2.05   0.059% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  28.80 +/- 3.51   0.074% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.56, residual support = 216.5:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.065% * 89.3736% (1.00  10.0 10.00   6.55 220.94) =  90.709%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.065% *  9.1415% (0.10  10.0 10.00   6.59 173.11) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  10.55 +/- 3.40   0.576% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+  38 - HG3   LYS+  99  10.53 +/- 3.46   0.533% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  11.35 +/- 2.22   0.392% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   LYS+  38  17.89 +/- 8.18   0.213% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  11.97 +/- 3.59   0.420% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.58 +/- 2.82   0.204% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.05 +/- 3.52   0.069% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.22 +/- 1.86   0.022% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.20 +/- 1.27   0.969% *  0.0014% (0.02   1.0  1.00   0.02  18.60) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.13 +/- 2.18   0.034% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  27.50 +/- 3.95   0.017% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.32 +/- 1.38   0.028% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  27.04 +/- 4.14   0.016% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.64 +/- 2.77   0.011% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.82 +/- 2.63   0.071% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  16.04 +/- 6.21   0.143% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.33 +/- 1.87   0.048% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.68 +/- 3.40   0.026% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.75 +/- 1.82   0.051% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.77 +/- 5.44   0.029% *  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 = 5.56, residual support = 220.9:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.30 +/- 0.14  87.134% * 97.6899% (1.00  10.0 10.00   5.56 220.94) =  99.985%  kept
        T QD    LYS+  38 - HG3   LYS+  99  10.00 +/- 3.37   6.414% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 102 - HG3   LYS+  99   8.95 +/- 1.69   2.453% *  0.0816% (0.08   1.0 10.00   0.02   1.54) =   0.002%
        T QD    LYS+  65 - HG3   LYS+  38  20.45 +/- 3.23   0.179% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HG3   LYS+  38  15.09 +/- 3.95   1.203% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+  38  21.30 +/- 2.31   0.126% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  19.53 +/- 6.22   0.268% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  21.58 +/- 7.83   0.324% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  20.32 +/- 3.17   0.180% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  30.95 +/- 2.61   0.038% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  26.78 +/- 4.12   0.067% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.99 +/- 4.88   0.663% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.52 +/- 2.81   0.171% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.21 +/- 2.44   0.053% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.52 +/- 1.65   0.075% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  18.25 +/- 5.67   0.323% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  24.06 +/- 4.95   0.117% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.37 +/- 1.75   0.044% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.65 +/- 1.22   0.085% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.95 +/- 0.82   0.081% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 220.8:
    *   T HA    LYS+  38 - QD    LYS+  38   3.58 +/- 0.49  70.812% * 98.6212% (1.00 10.00   6.02 220.94) =  99.955%  kept
        T HA    GLU- 100 - QD    LYS+  38   9.20 +/- 2.65  10.874% *  0.2196% (0.22 10.00   0.02   0.02) =   0.034%
        T HA    LYS+  38 - HD2   LYS+  74  18.86 +/- 1.99   0.590% *  0.2163% (0.22 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - QD    LYS+  65  18.79 +/- 2.51   0.652% *  0.1802% (0.18 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  65  10.72 +/- 1.57   3.308% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  24.32 +/- 3.62   0.457% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  16.89 +/- 3.33   1.026% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  14.34 +/- 2.36   1.728% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  24.50 +/- 4.24   0.287% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  16.01 +/- 1.85   1.015% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  65  20.96 +/- 4.97   1.043% *  0.0357% (0.04 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  12.97 +/- 3.90   2.547% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  21.36 +/- 2.51   0.439% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  17.04 +/- 4.42   1.738% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  22.04 +/- 2.47   0.394% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  28.79 +/- 2.33   0.158% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.28 +/- 1.38   0.179% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.12 +/- 4.70   0.450% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  13.67 +/- 2.28   1.860% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  22.27 +/- 3.78   0.444% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 220.9:
    * O   HB2   LYS+  38 - QD    LYS+  38   3.03 +/- 0.44  66.981% * 99.6020% (1.00  10.0   5.36 220.94) =  99.993%  kept
          HB3   GLU-  29 - QD    LYS+  38  13.95 +/- 2.59   2.758% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  15.49 +/- 2.55   1.103% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  38  14.55 +/- 3.85   2.754% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.27 +/- 2.46   2.601% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  65  12.32 +/- 6.59   7.056% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  20.38 +/- 4.78   1.442% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  14.06 +/- 7.33   2.989% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  18.84 +/- 2.85   0.478% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  18.52 +/- 4.24   0.861% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  10.95 +/- 2.41   2.602% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.86 +/- 0.98   2.487% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  19.86 +/- 2.72   0.377% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  17.46 +/- 4.54   0.892% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  20.67 +/- 2.25   0.285% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  29.73 +/- 2.91   0.097% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  18.12 +/- 4.20   0.673% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.74 +/- 4.21   0.762% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  21.84 +/- 4.38   0.461% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  18.16 +/- 1.95   0.377% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  20.31 +/- 5.21   0.697% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  19.04 +/- 2.89   0.479% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  30.72 +/- 2.58   0.080% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  30.96 +/- 4.05   0.090% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.20 +/- 2.54   0.245% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  25.49 +/- 4.10   0.168% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  30.65 +/- 5.12   0.116% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  30.45 +/- 3.56   0.088% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.9:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.36 +/- 0.31  72.711% * 98.4611% (1.00  10.0 10.00   4.63 220.94) =  99.992%  kept
          HB3   GLN   30 - QD    LYS+  38  12.21 +/- 2.61   1.055% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  38   9.50 +/- 1.33   1.855% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QD    LYS+  65  19.27 +/- 2.93   0.221% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  19.92 +/- 2.52   0.183% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.79 +/- 1.37   0.768% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  16.71 +/- 2.81   0.364% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   9.69 +/- 1.67   1.916% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.17 +/- 3.35   0.925% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  17.54 +/- 1.95   0.324% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  18.46 +/- 5.38   1.870% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.87 +/- 2.61   1.504% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  15.48 +/- 3.11   0.574% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  13.77 +/- 3.22   0.655% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.94 +/- 1.89   0.750% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  16.26 +/- 2.84   0.366% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  14.09 +/- 2.36   0.477% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  14.48 +/- 3.52   1.998% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.42 +/- 3.23   0.100% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  23.44 +/- 4.41   0.138% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.24 +/- 1.92   1.928% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.77 +/- 1.75   1.067% *  0.0072% (0.07   1.0  1.00   0.02   1.77) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.25 +/- 2.62   1.125% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  14.95 +/- 2.66   0.491% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.43 +/- 2.14   0.076% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.88 +/- 2.62   0.337% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.30 +/- 2.70   0.092% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  13.09 +/- 3.07   0.971% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  16.32 +/- 2.83   0.281% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  18.78 +/- 3.36   0.272% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  16.29 +/- 2.22   0.285% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  15.71 +/- 3.58   0.578% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  29.74 +/- 2.88   0.047% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  29.43 +/- 2.66   0.053% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.82 +/- 2.12   0.217% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.41 +/- 2.61   0.429% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  18.19 +/- 1.67   0.187% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  17.25 +/- 2.75   0.265% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  28.21 +/- 4.16   0.063% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  21.85 +/- 4.46   0.187% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  18.40 +/- 1.83   0.187% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  18.55 +/- 1.91   0.184% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  21.50 +/- 4.21   0.230% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  15.87 +/- 2.62   0.461% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  15.33 +/- 1.92   0.367% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.62 +/- 2.36   0.151% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  18.80 +/- 2.59   0.209% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.30 +/- 3.16   0.079% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  21.41 +/- 2.23   0.114% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.81 +/- 1.98   0.159% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  26.97 +/- 2.29   0.059% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  23.99 +/- 2.78   0.095% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.964, support = 5.77, residual support = 224.3:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.38 +/- 0.14  46.053% * 91.2181% (1.00  10.0 10.00   5.75 220.94) =  96.196%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.80 +/- 0.24  29.640% *  5.4974% (0.06  10.0 10.00   6.21 314.61) =   3.731%  kept
        T HG2   LYS+  99 - QD    LYS+  38   9.64 +/- 3.02   2.964% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.061%
          HB2   LEU   31 - QD    LYS+  38  10.41 +/- 2.58   1.983% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.99 +/- 4.19   0.539% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  38  26.18 +/- 2.95   0.039% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   8.11 +/- 3.34   3.886% *  0.0068% (0.07   1.0  1.00   0.02   4.49) =   0.001%
          QG2   THR   77 - QD    LYS+  65  12.03 +/- 3.10   2.548% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.02 +/- 7.72   0.845% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  20.05 +/- 3.17   0.102% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  19.24 +/- 2.26   0.127% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  20.70 +/- 2.51   0.084% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  20.62 +/- 2.32   0.080% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.71 +/- 2.55   1.713% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  20.55 +/- 3.18   0.092% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.17 +/- 2.72   0.996% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.86 +/- 0.95   1.548% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  16.73 +/- 3.73   0.314% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.93 +/- 0.85   1.595% *  0.0075% (0.08   1.0  1.00   0.02   3.36) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.60 +/- 2.38   0.146% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.31 +/- 3.46   0.062% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.86 +/- 2.11   0.372% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.48 +/- 2.52   0.648% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  18.53 +/- 4.80   0.350% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.80 +/- 1.76   0.102% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.80 +/- 3.90   0.056% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.98 +/- 1.49   0.042% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.16 +/- 2.64   0.192% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.59 +/- 4.20   0.195% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.41 +/- 3.22   0.738% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  17.63 +/- 1.31   0.121% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.16 +/- 3.11   0.141% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.49 +/- 2.53   0.024% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.08 +/- 2.64   0.261% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.12 +/- 2.76   0.364% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.06 +/- 1.85   0.143% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.04 +/- 4.78   0.167% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  17.00 +/- 2.64   0.170% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.66 +/- 2.23   0.102% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.48 +/- 1.86   0.134% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.85 +/- 2.43   0.124% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  26.96 +/- 3.41   0.040% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.01 +/- 1.56   0.085% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.54 +/- 2.08   0.071% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.962, support = 5.52, residual support = 216.8:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.14  47.825% * 78.0770% (1.00  10.0 10.00   5.56 220.94) =  94.637%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.82 +/- 0.18  26.681% *  5.8403% (0.07  10.0 10.00   5.54 186.77) =   3.949%  kept
          QG2   THR   39 - QD    LYS+  38   6.16 +/- 0.95   3.566% * 13.1721% (0.90   1.0  1.00   3.76  29.75) =   1.191%  kept
          QB    ALA   34 - QD    LYS+  38   6.16 +/- 1.22   5.538% *  1.3416% (0.80   1.0  1.00   0.43   0.02) =   0.188%  kept
        T HG3   LYS+  99 - QD    LYS+  38  10.00 +/- 3.37   3.686% *  0.2930% (0.38   1.0 10.00   0.02   0.02) =   0.027%
        T HG2   LYS+  74 - QD    LYS+  65   9.22 +/- 2.55   2.044% *  0.0487% (0.06   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  38  18.74 +/- 3.13   0.116% *  0.2663% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.30 +/- 2.21   0.964% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  11.03 +/- 2.34   0.914% *  0.0162% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  20.45 +/- 3.23   0.098% *  0.1426% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.30 +/- 2.31   0.069% *  0.1712% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.88 +/- 3.04   0.247% *  0.0442% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.78 +/- 4.28   0.494% *  0.0200% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.60 +/- 1.63   0.626% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  12.77 +/- 6.93   0.821% *  0.0097% (0.12   1.0  1.00   0.02   7.89) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.70 +/- 2.92   0.449% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.25 +/- 2.44   0.087% *  0.0739% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.63 +/- 2.39   0.388% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.52 +/- 2.81   0.090% *  0.0643% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.61 +/- 3.70   0.448% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  12.69 +/- 4.48   0.669% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.32 +/- 3.17   0.093% *  0.0535% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  17.33 +/- 2.15   0.134% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  13.30 +/- 1.81   0.335% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.58 +/- 1.16   0.794% *  0.0056% (0.07   1.0  1.00   0.02   1.77) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.65 +/- 2.05   0.054% *  0.0700% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  14.61 +/- 4.94   0.435% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  14.31 +/- 2.15   0.246% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.63 +/- 2.77   0.575% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.27 +/- 1.62   0.225% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  15.60 +/- 4.21   0.322% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.92 +/- 1.63   0.327% *  0.0053% (0.07   1.0  1.00   0.02   1.18) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  30.95 +/- 2.61   0.021% *  0.0588% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.56 +/- 1.62   0.273% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.52 +/- 1.65   0.041% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.61 +/- 1.79   0.053% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.21 +/- 1.90   0.056% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  24.31 +/- 4.75   0.083% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.39 +/- 4.00   0.048% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.25 +/- 4.60   0.063% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HB    THR   39 - HA    THR   39   2.72 +/- 0.21  81.319% * 98.6574% (1.00  10.0 10.00   3.00  38.12) =  99.976%  kept
          HB3   SER   37 - HA    THR   39   5.84 +/- 0.51   9.305% *  0.0952% (0.97   1.0  1.00   0.02   4.58) =   0.011%
        T HB    THR   39 - HA    ILE  103  12.64 +/- 2.31   2.165% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.009%
          QB    SER   13 - HA    THR   39  15.29 +/- 4.23   0.996% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  11.10 +/- 1.79   1.709% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   39  17.42 +/- 3.37   0.441% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  14.07 +/- 2.83   0.873% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  28.69 +/- 1.51   0.077% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.99 +/- 3.09   1.010% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.53 +/- 2.94   0.191% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  21.39 +/- 4.52   0.419% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  24.72 +/- 3.81   0.144% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  26.34 +/- 3.83   0.121% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  20.71 +/- 4.17   0.312% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  22.07 +/- 5.81   0.315% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.23 +/- 2.43   0.605% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.871, support = 3.03, residual support = 37.0:
    * O T QG2   THR   39 - HA    THR   39   2.83 +/- 0.40  52.729% * 72.2195% (0.87  10.0 10.00   3.00  38.12) =  93.786%  kept
          HG3   LYS+  38 - HA    THR   39   6.37 +/- 0.94   8.501% * 18.3797% (1.00   1.0  1.00   4.43  29.75) =   3.848%  kept
          QB    ALA   34 - HA    THR   39   5.02 +/- 0.70  12.848% *  7.3439% (0.84   1.0  1.00   2.11   5.13) =   2.324%  kept
        T QG2   THR   39 - HA    ILE  103   9.91 +/- 2.19   3.662% *  0.2386% (0.29   1.0 10.00   0.02   0.02) =   0.022%
          HG    LEU   71 - HA    THR   39   7.46 +/- 2.31   5.972% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HA    THR   39  13.24 +/- 4.29   2.932% *  0.0438% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   23 - HA    THR   39  17.25 +/- 1.41   0.284% *  0.4053% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   91 - HA    THR   39  21.44 +/- 2.08   0.145% *  0.7222% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HA    THR   39   9.70 +/- 2.94   3.155% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  17.41 +/- 2.40   0.275% *  0.2386% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    ILE  103   9.92 +/- 1.78   2.095% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ILE  103  18.49 +/- 3.92   0.345% *  0.1339% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   7.47 +/- 1.15   3.759% *  0.0094% (0.11   1.0  1.00   0.02   0.71) =   0.001%
          QG2   ILE   56 - HA    THR   39  18.93 +/- 1.59   0.201% *  0.0803% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  15.31 +/- 2.59   0.480% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  13.42 +/- 3.32   1.342% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.28 +/- 2.52   0.395% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  16.54 +/- 2.00   0.327% *  0.0265% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.67 +/- 2.43   0.313% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  18.35 +/- 1.71   0.240% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - HB    THR   39   2.72 +/- 0.21  95.921% * 98.7925% (1.00  10.0 10.00   3.00  38.12) =  99.980%  kept
        T HA    ILE  103 - HB    THR   39  12.64 +/- 2.31   2.546% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.019%
          HA    ASP-  44 - HB    THR   39  16.47 +/- 1.21   0.481% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  22.98 +/- 2.07   0.182% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  22.92 +/- 2.21   0.188% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  22.12 +/- 5.25   0.277% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  22.31 +/- 2.09   0.207% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.15 +/- 2.37   0.081% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  28.04 +/- 3.22   0.117% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.865, support = 2.96, residual support = 33.4:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  70.979% * 44.8549% (0.87  10.0 10.00   2.99  38.12) =  84.666%  kept
        T QB    ALA   34 - HB    THR   39   5.17 +/- 1.39  12.040% * 43.1920% (0.84   1.0 10.00   2.61   5.13) =  13.830%  kept
          HG3   LYS+  38 - HB    THR   39   6.93 +/- 1.39   5.110% * 10.9691% (1.00   1.0  1.00   4.25  29.75) =   1.491%  kept
        T HG3   LYS+  99 - HB    THR   39  10.30 +/- 2.74   1.131% *  0.1764% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - HB    THR   39  13.26 +/- 5.18   4.932% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   71 - HB    THR   39   8.53 +/- 3.09   5.257% *  0.0144% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  17.15 +/- 2.26   0.177% *  0.2517% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  21.82 +/- 2.58   0.089% *  0.4485% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  19.81 +/- 1.69   0.099% *  0.0499% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.93 +/- 2.69   0.187% *  0.0160% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - QG2   THR   39   2.83 +/- 0.40  51.088% * 96.3159% (0.87  10.0 10.00   3.00  38.12) =  99.898%  kept
        T HA    ILE  103 - QG2   THR   39   9.91 +/- 2.19   4.184% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.059%
          HB    THR   77 - QB    ALA   91   6.54 +/- 3.18  17.791% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.010%
          HA    GLU-  79 - QB    ALA   91  10.64 +/- 3.32   7.890% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.007%
        T HA    THR   39 - QG2   THR   23  17.25 +/- 1.41   0.274% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   51 - QB    ALA   91  10.87 +/- 4.17   3.301% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ILE  103 - QG2   THR   23  18.49 +/- 3.92   0.348% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.003%
        T HB    THR   77 - QG2   THR   23  16.64 +/- 3.89   0.380% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QG2   THR   23  14.30 +/- 6.89   2.022% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QB    ALA   91   8.74 +/- 1.29   3.779% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  17.41 +/- 2.40   0.272% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
        T HA    THR   39 - QB    ALA   91  21.44 +/- 2.08   0.140% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91   9.49 +/- 1.45   2.385% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    ALA   91  12.34 +/- 3.26   1.426% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   23  16.45 +/- 5.76   1.446% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  13.16 +/- 1.22   0.606% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   39  18.82 +/- 2.23   0.222% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  18.37 +/- 4.99   0.406% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.81 +/- 4.47   0.384% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  18.62 +/- 2.06   0.215% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  18.14 +/- 1.86   0.257% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  15.88 +/- 2.50   0.403% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  22.77 +/- 4.11   0.184% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.64 +/- 2.15   0.090% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  21.05 +/- 5.76   0.254% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  22.89 +/- 2.35   0.122% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  27.90 +/- 5.45   0.130% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 2.96, residual support = 37.5:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  58.660% * 90.9710% (0.87  10.0 10.00   2.99  38.12) =  98.216%  kept
          HB3   SER   37 - QG2   THR   39   3.97 +/- 1.03  19.404% *  3.2923% (0.84   1.0  1.00   0.75   4.58) =   1.176%  kept
          HA    ILE   89 - QB    ALA   91   5.21 +/- 1.20   8.118% *  4.0069% (0.40   1.0  1.00   1.93   7.73) =   0.599%  kept
          QB    SER   13 - QG2   THR   39  12.83 +/- 4.66   0.908% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB    THR   39 - QG2   THR   23  17.15 +/- 2.26   0.151% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   91   9.88 +/- 4.34   5.430% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QG2   THR   39   9.12 +/- 2.79   2.816% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   23  13.01 +/- 3.87   0.821% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  21.82 +/- 2.58   0.075% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    ALA   91  12.23 +/- 2.25   0.741% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23  17.87 +/- 7.74   0.461% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  19.16 +/- 4.92   0.488% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  14.95 +/- 2.33   0.227% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.95 +/- 1.33   0.751% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  20.38 +/- 3.73   0.099% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.21 +/- 2.08   0.141% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  21.79 +/- 3.17   0.072% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  20.61 +/- 4.21   0.107% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.51 +/- 1.13   0.170% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  23.17 +/- 3.60   0.063% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.87 +/- 2.45   0.051% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  22.49 +/- 4.39   0.085% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.31 +/- 3.94   0.119% *  0.0107% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.17 +/- 1.60   0.044% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.992, support = 5.33, residual support = 103.3:
    * O T HB2   LEU   40 - HA    LEU   40   2.69 +/- 0.30  62.680% * 93.6324% (1.00  10.0 10.00   5.36 104.57) =  98.766%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.62 +/- 0.75  15.476% *  4.4607% (0.39   1.0  1.00   2.42   1.74) =   1.162%  kept
        T HB2   LEU   40 - HA    ASN   35   8.92 +/- 1.93   6.566% *  0.3511% (0.37   1.0 10.00   0.02   0.02) =   0.039%
        T HB2   LEU   40 - HA    GLU-  15  13.95 +/- 4.17   1.308% *  0.7572% (0.81   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   LEU   67 - HA    LEU   40  10.64 +/- 2.00   2.455% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   67 - HA    GLU-  15  14.62 +/- 7.40   2.396% *  0.1168% (0.12   1.0 10.00   0.02   0.02) =   0.005%
          HB3   MET   96 - HA    LEU   40  10.67 +/- 1.75   1.757% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   18 - HA    GLU-  15   9.14 +/- 0.64   1.775% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LEU   40  14.13 +/- 4.86   1.221% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HA    ASN   35  16.13 +/- 2.58   0.565% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    LEU   40  17.21 +/- 3.30   0.557% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  20.22 +/- 5.23   0.371% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.72 +/- 2.09   0.719% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  17.05 +/- 2.90   0.388% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  16.69 +/- 3.89   0.589% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.39 +/- 4.09   0.231% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  24.78 +/- 3.16   0.116% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  16.77 +/- 2.55   0.373% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  21.85 +/- 4.50   0.337% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  28.14 +/- 3.71   0.068% *  0.0459% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.89 +/- 3.62   0.051% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.867, support = 5.61, residual support = 104.5:
    * O T HB3   LEU   40 - HA    LEU   40   2.74 +/- 0.25  41.931% * 70.6117% (1.00  10.0 10.00   5.67 104.57) =  78.820%  kept
      O T HG    LEU   40 - HA    LEU   40   3.16 +/- 0.46  29.932% * 26.5014% (0.38  10.0 10.00   5.41 104.57) =  21.117%  kept
        T HG    LEU   40 - HA    ASN   35   9.41 +/- 1.86   7.803% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.021%
        T HB3   LEU   40 - HA    ASN   35   9.10 +/- 1.74   2.302% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.016%
        T HB3   LEU   40 - HA    GLU-  15  13.83 +/- 4.27   0.611% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU  115 - HA    LEU   40  16.83 +/- 3.04   0.268% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   26 - HA    GLU-  15  10.71 +/- 3.15   5.029% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    GLU-  15  14.44 +/- 7.87   2.778% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - HA    LEU   40  16.36 +/- 2.11   0.236% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HA    LEU   40  14.32 +/- 4.27   0.470% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LEU   40  10.83 +/- 2.06   0.885% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU   40  13.17 +/- 5.81   2.216% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - HA    ASN   35  23.37 +/- 3.45   0.088% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    GLU-  15  22.75 +/- 3.13   0.095% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LEU   40  14.08 +/- 2.66   0.432% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.04 +/- 3.18   0.292% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  16.33 +/- 6.25   0.453% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.87 +/- 4.25   0.580% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  12.74 +/- 1.68   0.600% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  22.96 +/- 2.79   0.085% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  17.25 +/- 6.48   0.599% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.20 +/- 3.04   0.490% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  18.39 +/- 4.81   0.235% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  22.51 +/- 3.26   0.096% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.66 +/- 0.94   0.462% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.70 +/- 1.21   0.186% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.51 +/- 1.75   0.153% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  19.90 +/- 4.26   0.206% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  18.41 +/- 6.62   0.357% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  21.14 +/- 2.95   0.130% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.36, residual support = 104.5:
    * O T HA    LEU   40 - HB2   LEU   40   2.69 +/- 0.30  57.429% * 98.0349% (1.00  10.0 10.00   5.36 104.57) =  99.923%  kept
        T HA    ASN   35 - HB2   LEU   40   8.92 +/- 1.93   6.018% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.039%
        T HA    GLU-  15 - HB2   LEU   40  13.95 +/- 4.17   1.181% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.019%
        T HA    LEU   40 - HB2   LEU   67  10.64 +/- 2.00   2.249% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  15 - HB2   LEU   67  14.62 +/- 7.40   2.241% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   LEU   40   7.31 +/- 2.51   5.787% *  0.0244% (0.25   1.0  1.00   0.02   7.33) =   0.003%
          HA    SER   13 - HB2   LEU   40  17.08 +/- 3.75   1.417% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB2   LEU   40  13.66 +/- 5.33   2.593% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB2   LEU   40   9.66 +/- 1.43   1.965% *  0.0368% (0.38   1.0  1.00   0.02   0.75) =   0.001%
          HA    LEU  123 - HB2   LEU   40  15.31 +/- 6.70   1.331% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   67  12.27 +/- 9.29  11.954% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  18.08 +/- 2.45   0.248% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.13 +/- 2.58   0.520% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  18.73 +/- 1.51   0.209% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  18.01 +/- 5.39   0.838% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.96 +/- 2.20   0.175% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.40 +/- 1.23   0.710% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  14.44 +/- 4.63   0.825% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  14.65 +/- 3.82   1.079% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  15.17 +/- 2.23   0.436% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.26 +/- 1.60   0.394% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  16.16 +/- 2.14   0.400% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.926, support = 4.34, residual support = 104.0:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  57.790% * 69.9238% (1.00  10.0 10.00   4.28 104.57) =  88.822%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.73 +/- 0.30  17.157% * 26.2432% (0.38  10.0  1.00   4.86 104.57) =   9.897%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.66 +/- 0.30  18.510% *  3.1374% (0.04  10.0  1.00   4.94  59.16) =   1.277%  kept
        T HB3   LEU   40 - HB2   LEU   67   8.95 +/- 1.83   0.688% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HB2   LEU   40  16.07 +/- 2.80   0.107% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU   40   9.58 +/- 2.10   0.575% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.84 +/- 1.87   0.721% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.05 +/- 2.69   0.284% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.95 +/- 4.16   0.225% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  13.37 +/- 3.36   0.289% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  16.41 +/- 3.79   0.140% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  13.07 +/- 5.33   0.615% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  12.68 +/- 2.05   0.225% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67   9.83 +/- 2.78   1.167% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.14 +/- 2.09   0.151% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.39 +/- 1.49   0.096% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  13.57 +/- 2.69   0.170% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.99 +/- 0.81   0.700% *  0.0014% (0.02   1.0  1.00   0.02   0.14) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.38 +/- 3.05   0.168% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  14.63 +/- 3.88   0.220% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 104.5:
    * O T HA    LEU   40 - HB3   LEU   40   2.74 +/- 0.25  66.583% * 97.9684% (1.00  10.0 10.00   5.67 104.57) =  99.953%  kept
        T HA    ASN   35 - HB3   LEU   40   9.10 +/- 1.74   4.199% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.024%
        T HA    GLU-  15 - HB3   LEU   40  13.83 +/- 4.27   0.949% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.013%
          HA    LYS+  99 - HB3   LEU   40   7.63 +/- 2.20   6.484% *  0.0244% (0.25   1.0  1.00   0.02   7.33) =   0.002%
          HA    LEU  123 - HB3   LEU   40  15.04 +/- 6.81   2.087% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB3   LEU   40   9.77 +/- 1.50   2.012% *  0.0368% (0.38   1.0  1.00   0.02   0.75) =   0.001%
          HA    GLN   17 - HB3   LEU   40  13.38 +/- 5.58   1.857% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LEU   40  17.08 +/- 3.52   0.623% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB3   LEU  115  16.36 +/- 2.11   0.377% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   LEU  115   7.60 +/- 1.78   8.082% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU  115   9.66 +/- 2.04   3.244% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU   40  17.62 +/- 2.28   0.302% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  22.75 +/- 3.13   0.147% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.36 +/- 1.26   0.244% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.57 +/- 2.11   0.213% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  22.96 +/- 2.79   0.139% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.62 +/- 1.78   1.136% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.40 +/- 1.22   0.536% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  20.00 +/- 4.76   0.291% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  25.79 +/- 3.71   0.104% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  17.51 +/- 1.33   0.289% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  24.43 +/- 1.81   0.101% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 104.6:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  95.771% * 99.4293% (1.00  10.0 10.00   4.28 104.57) =  99.997%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.95 +/- 1.83   1.168% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HB3   LEU   40  11.23 +/- 1.77   0.540% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.32 +/- 5.43   0.776% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.07 +/- 2.80   0.174% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.49 +/- 3.13   0.209% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.14 +/- 2.09   0.251% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.65 +/- 4.25   0.118% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.64 +/- 3.73   0.058% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.37 +/- 0.93   0.373% *  0.0093% (0.09   1.0  1.00   0.02   0.20) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.29 +/- 1.98   0.276% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.03 +/- 4.95   0.197% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.77 +/- 3.27   0.044% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  29.97 +/- 5.80   0.043% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.29, residual support = 75.2:
    * O T HB    VAL   41 - HA    VAL   41   2.84 +/- 0.25  82.350% * 99.0830% (0.69  10.0 10.00   4.29  75.23) =  99.984%  kept
          HG12  ILE  103 - HA    VAL   41   8.83 +/- 1.31   3.677% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  103 - HA    VAL   41  10.35 +/- 2.17   4.170% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - HA    VAL   41  12.69 +/- 2.15   1.393% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  18.19 +/- 5.01   0.680% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    VAL   41  10.69 +/- 1.94   2.075% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    VAL   41  11.53 +/- 1.51   1.429% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.91 +/- 1.45   1.056% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    VAL   41  11.71 +/- 1.25   1.455% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  17.30 +/- 2.24   0.753% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.74 +/- 1.12   0.170% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  22.80 +/- 3.05   0.231% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  18.87 +/- 2.71   0.365% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  22.45 +/- 2.30   0.194% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.2, residual support = 74.3:
    * O T QG1   VAL   41 - HA    VAL   41   2.61 +/- 0.29  57.806% * 93.3730% (1.00  10.0 10.00   4.24  75.23) =  98.778%  kept
          QG1   VAL   43 - HA    VAL   41   5.25 +/- 1.27  11.319% *  5.5202% (0.95   1.0  1.00   1.25   1.55) =   1.143%  kept
        T QG2   VAL   18 - HA    VAL   41  11.63 +/- 4.81   3.939% *  0.7136% (0.76   1.0 10.00   0.02   0.02) =   0.051%
          QD2   LEU   73 - HA    VAL   41   6.83 +/- 2.29  14.838% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.011%
        T QD2   LEU  104 - HA    VAL   41   8.62 +/- 1.49   2.280% *  0.1848% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   31 - HA    VAL   41   9.19 +/- 2.77   4.665% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HA    VAL   41  10.36 +/- 3.69   4.040% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    VAL   41  12.02 +/- 0.84   0.661% *  0.0604% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  14.66 +/- 2.03   0.452% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 75.1:
    * O T QG2   VAL   41 - HA    VAL   41   2.39 +/- 0.38  81.175% * 98.5529% (1.00  10.0 10.00   3.92  75.23) =  99.756%  kept
          QD2   LEU   98 - HA    VAL   41   5.20 +/- 1.55  14.916% *  1.2941% (0.95   1.0  1.00   0.28  27.01) =   0.241%  kept
          QD2   LEU   63 - HA    VAL   41   9.15 +/- 2.22   2.867% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - HA    VAL   41  14.82 +/- 4.59   1.042% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.29, residual support = 75.2:
    * O T HA    VAL   41 - HB    VAL   41   2.84 +/- 0.25  97.018% * 99.8595% (0.69  10.0 10.00   4.29  75.23) =  99.998%  kept
          HA    HIS  122 - HB    VAL   41  14.61 +/- 6.23   1.933% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB    VAL   41  13.16 +/- 0.79   1.048% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 4.2, residual support = 74.7:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.01  72.900% * 92.5629% (0.69  10.0 10.00   4.22  75.23) =  99.227%  kept
          QG1   VAL   43 - HB    VAL   41   5.43 +/- 1.27   7.885% *  6.3399% (0.65   1.0  1.00   1.45   1.55) =   0.735%  kept
        T QG2   VAL   18 - HB    VAL   41  12.59 +/- 4.16   1.751% *  0.7074% (0.52   1.0 10.00   0.02   0.02) =   0.018%
        T QD2   LEU  104 - HB    VAL   41   7.04 +/- 1.91   3.361% *  0.1832% (0.14   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   31 - HB    VAL   41   9.25 +/- 3.86   9.253% *  0.0561% (0.42   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   73 - HB    VAL   41   8.16 +/- 2.36   2.917% *  0.0415% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB    VAL   41  11.29 +/- 3.38   1.352% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  12.82 +/- 0.80   0.346% *  0.0599% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.20 +/- 2.04   0.234% *  0.0206% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.13, residual support = 73.3:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  71.354% * 90.2067% (0.69  10.0 10.00   4.21  75.23) =  96.089%  kept
          QD2   LEU   98 - HB    VAL   41   3.98 +/- 1.54  27.129% *  9.6533% (0.65   1.0  1.00   2.26  27.01) =   3.910%  kept
          QD2   LEU   63 - HB    VAL   41  10.23 +/- 2.31   1.053% *  0.0547% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB    VAL   41  15.37 +/- 5.20   0.464% *  0.0853% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 75.2:
    * O T HA    VAL   41 - QG2   VAL   41   2.39 +/- 0.38  95.370% * 99.8595% (1.00  10.0 10.00   3.92  75.23) =  99.996%  kept
          HA    HIS  122 - QG2   VAL   41  13.33 +/- 5.07   3.051% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   45 - QG2   VAL   41  10.40 +/- 1.07   1.579% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.2, residual support = 75.2:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  83.853% * 99.0830% (0.69  10.0 10.00   4.21  75.23) =  99.985%  kept
          HG12  ILE  103 - QG2   VAL   41   6.42 +/- 1.62   5.071% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  103 - QG2   VAL   41   7.55 +/- 1.72   3.080% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QG2   VAL   41   9.52 +/- 1.62   1.644% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QG2   VAL   41   9.27 +/- 2.28   1.900% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  12.24 +/- 2.26   0.894% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG2   VAL   41  16.55 +/- 4.09   0.282% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.30 +/- 1.29   0.510% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.16 +/- 1.42   1.397% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  14.74 +/- 2.32   0.660% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.32 +/- 1.27   0.116% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.76 +/- 2.93   0.154% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.53 +/- 2.59   0.276% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  18.29 +/- 2.33   0.164% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.87, residual support = 73.3:
    * O T QG1   VAL   41 - QG2   VAL   41   2.05 +/- 0.06  54.535% * 89.2508% (1.00  10.0 10.00   3.93  75.23) =  97.326%  kept
          QG1   VAL   43 - QG2   VAL   41   4.02 +/- 1.15  14.027% *  8.1166% (0.95   1.0  1.00   1.92   1.55) =   2.277%  kept
          HG    LEU   31 - QG2   VAL   41   7.93 +/- 3.68   8.147% *  1.0970% (0.61   1.0  1.00   0.41   0.02) =   0.179%  kept
          QD2   LEU   73 - QG2   VAL   41   6.61 +/- 2.43   9.552% *  0.5717% (0.45   1.0  1.00   0.29   0.02) =   0.109%  kept
        T QG2   VAL   18 - QG2   VAL   41  10.53 +/- 4.13   7.264% *  0.6821% (0.76   1.0 10.00   0.02   0.02) =   0.099%
        T QD2   LEU  104 - QG2   VAL   41   6.81 +/- 1.27   2.357% *  0.1766% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE   19 - QG2   VAL   41   9.35 +/- 3.52   3.348% *  0.0275% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG2   VAL   41  10.27 +/- 1.16   0.517% *  0.0577% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QG2   VAL   41  12.92 +/- 1.73   0.254% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 4.49, residual support = 88.3:
    * O T HB    VAL   42 - HA    VAL   42   2.81 +/- 0.19  63.118% * 89.3190% (0.87  10.0 10.00   4.54  89.89) =  98.204%  kept
          QB    LEU   98 - HA    VAL   42   5.33 +/- 0.86  13.403% *  6.7278% (0.76   1.0  1.00   1.71   0.33) =   1.571%  kept
        T HB2   LYS+ 112 - HA    PHE   55   7.82 +/- 2.36   5.192% *  2.2374% (0.16   1.0 10.00   0.27   0.79) =   0.202%  kept
          HB3   LEU   73 - HA    VAL   42   8.82 +/- 2.14   4.085% *  0.0825% (0.80   1.0  1.00   0.02   1.02) =   0.006%
        T HB2   LYS+ 112 - HA    VAL   42  16.66 +/- 1.92   0.370% *  0.7073% (0.69   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HA    VAL   42   8.58 +/- 1.53   3.525% *  0.0583% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HA    VAL   42  10.85 +/- 2.38   2.154% *  0.0501% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    VAL   42  12.32 +/- 4.90   1.891% *  0.0462% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    VAL   42  13.17 +/- 2.27   0.822% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  13.10 +/- 1.82   0.795% *  0.0787% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  19.19 +/- 1.84   0.227% *  0.2102% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    VAL   42  14.53 +/- 1.46   0.521% *  0.0893% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  19.51 +/- 4.03   0.322% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    VAL   42  15.44 +/- 4.17   0.637% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.47 +/- 5.25   0.662% *  0.0194% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.56 +/- 2.57   0.519% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  20.29 +/- 2.94   0.400% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  18.17 +/- 3.07   0.354% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  26.84 +/- 5.35   0.170% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.46 +/- 2.84   0.271% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.46 +/- 1.80   0.165% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.23 +/- 3.15   0.265% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.26 +/- 2.56   0.063% *  0.0224% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.64 +/- 3.01   0.070% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.9:
    * O T QG1   VAL   42 - HA    VAL   42   2.51 +/- 0.34  84.876% * 98.1799% (0.97  10.0 10.00   4.00  89.89) =  99.975%  kept
        T QB    ALA   64 - HA    VAL   42   7.75 +/- 1.06   3.301% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.008%
        T QB    ALA   47 - HA    VAL   42  13.87 +/- 1.15   0.564% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QB    ALA   47 - HA    PHE   55  10.07 +/- 1.26   1.907% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   42 - HA    PHE   55  14.34 +/- 1.41   0.595% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HA    PHE   55   7.83 +/- 2.97   6.500% *  0.0164% (0.16   1.0  1.00   0.02   0.79) =   0.001%
        T QB    ALA   64 - HA    PHE   55  12.65 +/- 2.43   1.811% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    VAL   42  16.14 +/- 2.29   0.447% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 89.6:
    * O T QG2   VAL   42 - HA    VAL   42   2.56 +/- 0.47  90.142% * 96.8205% (0.80  10.0 10.00   4.00  89.89) =  99.704%  kept
          QG2   VAL   75 - HA    VAL   42   6.52 +/- 1.82   8.795% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.295%  kept
        T QG2   VAL   42 - HA    PHE   55  15.94 +/- 1.39   0.542% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   75 - HA    PHE   55  15.45 +/- 2.27   0.521% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.54, residual support = 89.9:
    * O T HA    VAL   42 - HB    VAL   42   2.81 +/- 0.19  80.177% * 97.9628% (0.87  10.0 10.00   4.54  89.89) =  99.956%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.82 +/- 2.36   6.535% *  0.3914% (0.35   1.0 10.00   0.02   0.79) =   0.033%
        T HA    VAL   42 - HB2   LYS+ 112  16.66 +/- 1.92   0.469% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    PHE   55 - HB    VAL   42  19.19 +/- 1.84   0.290% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB    VAL   42  13.86 +/- 6.33   2.418% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   7.62 +/- 1.32   5.189% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   LYS+ 112  12.92 +/- 2.40   2.047% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  13.95 +/- 0.89   0.702% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.74 +/- 0.67   0.739% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  15.95 +/- 1.65   0.513% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.84 +/- 4.93   0.272% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  20.18 +/- 2.11   0.275% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.01 +/- 2.04   0.295% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  29.33 +/- 2.56   0.079% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.747, support = 5.01, residual support = 121.7:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  61.562% * 65.1690% (0.84  10.0 10.00   4.54  89.89) =  78.457%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.65 +/- 0.27  33.628% * 32.7352% (0.42  10.0 10.00   6.74 237.63) =  21.528%  kept
        T QB    ALA   47 - HB2   LYS+ 112  12.13 +/- 2.05   0.581% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   42 - HB2   LYS+ 112  12.21 +/- 2.10   0.449% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HB    VAL   42  14.48 +/- 1.16   0.207% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB    VAL   42  15.97 +/- 2.75   0.212% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB    VAL   42   6.46 +/- 1.08   2.835% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HB2   LYS+ 112  12.49 +/- 2.72   0.527% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 4.43, residual support = 89.8:
    * O T QG2   VAL   42 - HB    VAL   42   2.13 +/- 0.01  95.366% * 96.6454% (0.69  10.0 10.00   4.44  89.89) =  99.891%  kept
          QG2   VAL   75 - HB    VAL   42   6.99 +/- 1.36   3.717% *  2.6174% (0.56   1.0  1.00   0.67   0.02) =   0.105%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  13.58 +/- 2.03   0.468% *  0.6820% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   75 - HB2   LYS+ 112  14.70 +/- 2.63   0.449% *  0.0551% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.51, residual support = 89.3:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.02  60.279% * 91.5493% (0.84  10.0 10.00   4.54  89.89) =  99.306%  kept
          HB3   LEU   73 - QG1   VAL   42   6.69 +/- 2.37  11.286% *  2.1709% (0.77   1.0  1.00   0.51   1.02) =   0.441%  kept
          QB    LEU   98 - QG1   VAL   42   6.42 +/- 0.86   2.743% *  2.5812% (0.74   1.0  1.00   0.64   0.33) =   0.127%  kept
          HB3   LYS+  74 - QG1   VAL   42   7.99 +/- 2.45  13.099% *  0.4173% (0.47   1.0  1.00   0.16   0.02) =   0.098%
        T HB2   LYS+ 112 - QG1   VAL   42  12.21 +/- 2.10   0.438% *  0.7250% (0.66   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LYS+ 112 - QB    ALA   47  12.13 +/- 2.05   0.483% *  0.6261% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   42 - QB    ALA   47  14.48 +/- 1.16   0.206% *  0.7906% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QB    ALA   47  13.91 +/- 3.41   1.467% *  0.0791% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG1   VAL   42   8.18 +/- 1.49   1.751% *  0.0598% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG1   VAL   42   9.87 +/- 3.89   1.966% *  0.0473% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QB    ALA   47  14.92 +/- 3.27   1.791% *  0.0516% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   42  10.22 +/- 1.24   0.629% *  0.0915% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  11.75 +/- 2.10   0.518% *  0.0974% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    ALA   47  13.29 +/- 3.24   0.512% *  0.0730% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  12.89 +/- 1.69   0.352% *  0.0807% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QB    ALA   47  15.31 +/- 2.20   0.398% *  0.0697% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  12.20 +/- 2.82   0.528% *  0.0444% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.00 +/- 2.92   0.199% *  0.1019% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  21.92 +/- 3.60   0.238% *  0.0697% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  11.45 +/- 2.08   0.511% *  0.0281% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  13.07 +/- 2.75   0.375% *  0.0326% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.39 +/- 4.48   0.089% *  0.0880% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.33 +/- 3.01   0.063% *  0.0841% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.77 +/- 1.39   0.079% *  0.0409% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 89.6:
    * O T QG2   VAL   42 - QG1   VAL   42   2.07 +/- 0.05  88.929% * 96.1881% (0.77  10.0 10.00   4.00  89.89) =  99.678%  kept
          QG2   VAL   75 - QG1   VAL   42   5.37 +/- 1.43   9.319% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.316%  kept
        T QG2   VAL   42 - QB    ALA   47  12.05 +/- 0.97   0.503% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   75 - QB    ALA   47   9.31 +/- 2.16   1.249% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.9:
    * O T HA    VAL   42 - QG2   VAL   42   2.56 +/- 0.47  91.240% * 99.2010% (0.80  10.0 10.00   4.00  89.89) =  99.992%  kept
        T HA    PHE   55 - QG2   VAL   42  15.94 +/- 1.39   0.552% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG2   VAL   42  11.79 +/- 5.12   3.591% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG2   VAL   42  11.37 +/- 1.00   1.688% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.08 +/- 1.26   1.256% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG2   VAL   42  12.89 +/- 1.75   1.091% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  16.71 +/- 1.93   0.582% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.43, residual support = 89.7:
    * O T HB    VAL   42 - QG2   VAL   42   2.13 +/- 0.01  74.969% * 95.8606% (0.69  10.0 10.00   4.44  89.89) =  99.754%  kept
          QB    LEU   98 - QG2   VAL   42   5.64 +/- 1.07   6.002% *  2.7028% (0.61   1.0  1.00   0.64   0.33) =   0.225%  kept
          HB3   LYS+  74 - QG2   VAL   42   8.96 +/- 2.31   5.927% *  0.0538% (0.39   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LYS+ 112 - QG2   VAL   42  13.58 +/- 2.03   0.368% *  0.7591% (0.55   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - QG2   VAL   42   7.63 +/- 1.37   2.750% *  0.0885% (0.64   1.0  1.00   0.02   1.02) =   0.003%
          HD3   LYS+ 121 - QG2   VAL   42   9.75 +/- 4.22   3.945% *  0.0495% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - QG2   VAL   42   8.38 +/- 1.91   2.818% *  0.0626% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QG2   VAL   42  10.72 +/- 2.23   1.144% *  0.1020% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG2   VAL   42  10.78 +/- 1.93   0.830% *  0.0959% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  11.95 +/- 1.68   0.523% *  0.0845% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  15.60 +/- 2.86   0.261% *  0.1067% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.73 +/- 3.31   0.462% *  0.0341% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 89.9:
    * O T QG1   VAL   42 - QG2   VAL   42   2.07 +/- 0.05  90.313% * 98.8869% (0.77  10.0 10.00   4.00  89.89) =  99.992%  kept
        T QB    ALA   47 - QG2   VAL   42  12.05 +/- 0.97   0.509% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   64 - QG2   VAL   42   5.63 +/- 1.54   8.685% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - QG2   VAL   42  13.15 +/- 2.08   0.492% *  0.0704% (0.55   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 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 = 61.8:
    * O T HB    VAL   43 - HA    VAL   43   2.80 +/- 0.26  96.691% * 99.7401% (0.97  10.0 10.00   3.30  61.83) =  99.997%  kept
          HB2   LYS+  99 - HA    VAL   43  12.69 +/- 1.21   1.247% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    VAL   43  15.99 +/- 2.43   0.736% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    VAL   43  16.68 +/- 6.64   1.325% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.894, support = 4.52, residual support = 61.4:
    * O T QG1   VAL   43 - HA    VAL   43   2.65 +/- 0.30  60.106% * 97.6971% (0.90  10.0 10.00   4.55  61.83) =  99.210%  kept
          QD2   LEU   73 - HA    VAL   43   5.78 +/- 2.71  23.928% *  1.9093% (0.53   1.0  1.00   0.67   2.81) =   0.772%  kept
          QG1   VAL   41 - HA    VAL   43   7.54 +/- 0.49   2.926% *  0.1080% (0.99   1.0  1.00   0.02   1.55) =   0.005%
          QG2   VAL   18 - HA    VAL   43  11.49 +/- 5.96   3.678% *  0.0748% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HA    VAL   43   7.26 +/- 0.74   3.433% *  0.0617% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HA    VAL   43  11.51 +/- 4.00   1.923% *  0.0748% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HA    VAL   43  11.33 +/- 4.38   1.769% *  0.0272% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  11.38 +/- 2.12   1.265% *  0.0303% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    VAL   43  10.97 +/- 1.78   0.971% *  0.0168% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.686, support = 3.0, residual support = 61.8:
    * O T QG2   VAL   43 - HA    VAL   43   2.41 +/- 0.43  91.174% * 98.9143% (0.69  10.0 10.00   3.00  61.83) =  99.934%  kept
        T QD2   LEU   31 - HA    VAL   43   9.30 +/- 4.20   5.614% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.065%
          QG2   VAL   83 - HA    VAL   43   9.81 +/- 3.19   3.212% *  0.0400% (0.28   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 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.8:
    * O T HA    VAL   43 - HB    VAL   43   2.80 +/- 0.26  93.923% * 99.8083% (0.97  10.0 10.00   3.30  61.83) =  99.996%  kept
          HA    ASN   69 - HB    VAL   43  14.10 +/- 2.61   2.371% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS   22 - HB    VAL   43  16.04 +/- 3.29   0.828% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  10.32 +/- 2.02   2.877% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.91, residual support = 61.7:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.02  83.360% * 90.8413% (0.87  10.0 10.00   3.92  61.83) =  99.774%  kept
        T QG1   VAL   41 - HB    VAL   43   7.77 +/- 0.81   1.909% *  8.0730% (0.96   1.0 10.00   0.16   1.55) =   0.203%  kept
        T QG2   VAL   18 - HB    VAL   43  13.15 +/- 5.55   1.274% *  0.6958% (0.66   1.0 10.00   0.02   0.02) =   0.012%
          QD2   LEU   73 - HB    VAL   43   7.28 +/- 2.43   7.209% *  0.0533% (0.51   1.0  1.00   0.02   2.81) =   0.005%
        T QD2   LEU  104 - HB    VAL   43  10.37 +/- 2.09   1.492% *  0.1563% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HB    VAL   43   7.89 +/- 1.00   1.954% *  0.0573% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   43  12.16 +/- 4.49   1.298% *  0.0696% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    VAL   43  12.78 +/- 4.06   0.818% *  0.0253% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.89 +/- 2.14   0.687% *  0.0282% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 61.8:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  91.247% * 98.9143% (0.66  10.0 10.00   2.87  61.83) =  99.951%  kept
        T QD2   LEU   31 - HB    VAL   43  10.00 +/- 4.50   4.021% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.047%
          QG2   VAL   83 - HB    VAL   43   8.96 +/- 3.83   4.732% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.55, residual support = 61.8:
    * O T HA    VAL   43 - QG1   VAL   43   2.65 +/- 0.30  87.344% * 99.8083% (0.90  10.0 10.00   4.55  61.83) =  99.995%  kept
          HA    LEU   71 - QG1   VAL   43   8.18 +/- 2.00   9.652% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  11.37 +/- 2.29   1.816% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS   22 - QG1   VAL   43  13.14 +/- 2.81   1.189% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.92, residual support = 61.8:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.02  96.251% * 99.7401% (0.87  10.0 10.00   3.92  61.83) =  99.997%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.75 +/- 1.44   1.325% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  15.06 +/- 5.53   1.957% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   43  13.39 +/- 1.94   0.466% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 4.04, residual support = 61.8:
    * O T QG2   VAL   43 - QG1   VAL   43   2.04 +/- 0.06  85.821% * 98.9143% (0.62  10.0 10.00   4.04  61.83) =  99.886%  kept
        T QD2   LEU   31 - QG1   VAL   43   7.58 +/- 3.95   9.101% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.112%  kept
          QG2   VAL   83 - QG1   VAL   43   7.79 +/- 3.13   5.077% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 61.8:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  89.859% * 99.3815% (0.66  10.0 10.00   2.87  61.83) =  99.984%  kept
        T HB    VAL   43 - QD2   LEU   31  10.00 +/- 4.50   3.960% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.013%
          HB2   LYS+  99 - QG2   VAL   43  11.00 +/- 1.19   0.725% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  12.52 +/- 2.52   0.597% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  10.09 +/- 2.44   1.988% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   43  15.28 +/- 5.50   0.875% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD2   LEU   31  10.70 +/- 2.27   1.682% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  17.49 +/- 5.23   0.314% *  0.0293% (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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.534, support = 4.33, residual support = 89.9:
    * O T QG1   VAL   43 - QG2   VAL   43   2.04 +/- 0.06  36.028% * 79.1684% (0.62  10.0 10.00   4.04  61.83) =  82.895%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.10 +/- 0.01  32.951% * 17.3980% (0.14  10.0 10.00   5.89 231.88) =  16.661%  kept
          QD2   LEU   73 - QG2   VAL   43   6.00 +/- 2.51   6.206% *  1.7416% (0.36   1.0  1.00   0.75   2.81) =   0.314%  kept
          QG1   VAL   41 - QD2   LEU   31   6.52 +/- 2.85   4.754% *  0.4813% (0.20   1.0  1.00   0.38   0.02) =   0.066%
        T QG1   VAL   43 - QD2   LEU   31   7.58 +/- 3.95   3.905% *  0.2271% (0.18   1.0 10.00   0.02   0.02) =   0.026%
        T HG    LEU   31 - QG2   VAL   43   9.76 +/- 4.04   1.121% *  0.6064% (0.47   1.0 10.00   0.02   0.02) =   0.020%
          QD2   LEU   73 - QD2   LEU   31   5.72 +/- 2.97   4.323% *  0.0698% (0.10   1.0  1.00   0.10   1.31) =   0.009%
          QG1   VAL   41 - QG2   VAL   43   6.58 +/- 0.77   1.296% *  0.0875% (0.68   1.0  1.00   0.02   1.55) =   0.003%
          QG2   THR   46 - QG2   VAL   43   6.54 +/- 0.94   1.473% *  0.0500% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - QG2   VAL   43  10.80 +/- 4.72   1.033% *  0.0606% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - QD2   LEU   31   8.24 +/- 1.94   1.368% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG2   VAL   43  10.26 +/- 3.71   0.922% *  0.0220% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   31   6.33 +/- 1.11   2.150% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.38 +/- 2.04   0.419% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.29 +/- 1.76   0.650% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.38 +/- 2.85   1.010% *  0.0039% (0.03   1.0  1.00   0.02   0.50) =   0.000%
          QG2   THR   46 - QD2   LEU   31  12.36 +/- 2.78   0.249% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.45 +/- 2.23   0.142% *  0.0070% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.2:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.80 +/- 0.28  88.073% * 97.1917% (1.00  10.0 10.00   2.64  39.18) =  99.979%  kept
        T QG    GLU-  15 - HA    ASP-  44  18.70 +/- 5.05   0.547% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PHE   72 - HA    ASP-  44   8.57 +/- 1.76   4.965% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.006%
        T QG    GLU-  14 - HA    ASP-  44  20.22 +/- 3.80   0.328% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T QB    MET   11 - HA    ASP-  44  23.82 +/- 4.49   0.340% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    ASP-  44  10.97 +/- 2.39   2.402% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - HA    ASP-  44  13.51 +/- 1.91   1.003% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  10.67 +/- 1.34   1.920% *  0.0192% (0.20   1.0  1.00   0.02   0.48) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  19.13 +/- 3.22   0.424% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 4.07, residual support = 39.1:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.60 +/- 0.26  77.005% * 95.9706% (1.00  10.0 10.00   4.08  39.18) =  99.708%  kept
          HB3   PRO   93 - HA    ASP-  44   6.57 +/- 1.22   7.419% *  2.6411% (0.76   1.0  1.00   0.72   0.02) =   0.264%  kept
        T QB    ALA   84 - HA    ASP-  44  11.17 +/- 1.69   1.308% *  0.7685% (0.80   1.0 10.00   0.02   0.02) =   0.014%
          HB2   LEU   63 - HA    ASP-  44   8.92 +/- 3.34   6.692% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - HA    ASP-  44  11.98 +/- 2.07   1.177% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ASP-  44  12.96 +/- 3.57   1.071% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  13.55 +/- 1.63   0.789% *  0.0697% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44  10.05 +/- 1.77   2.343% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    ASP-  44  16.16 +/- 3.52   0.522% *  0.0768% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    ASP-  44  18.54 +/- 2.91   0.263% *  0.0926% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.87 +/- 1.29   0.323% *  0.0430% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  13.03 +/- 2.23   0.912% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.23 +/- 0.84   0.174% *  0.0327% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.2:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.80 +/- 0.28  86.601% * 98.1053% (1.00  10.0 10.00   2.64  39.18) =  99.986%  kept
          HB    THR   77 - HB2   ASP-  44   9.68 +/- 2.09   4.556% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HA    MET   11 - HB2   ASP-  44  25.77 +/- 5.15   0.267% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  14 - HB2   ASP-  44  21.23 +/- 4.30   0.319% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  14.05 +/- 1.55   0.852% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44   9.64 +/- 3.06   4.059% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.01 +/- 1.73   1.026% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  17.35 +/- 2.79   0.434% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.42 +/- 1.23   0.602% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.68 +/- 1.72   0.615% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  17.74 +/- 2.54   0.412% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  24.14 +/- 4.62   0.257% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 39.2:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  90.183% * 99.2040% (1.00  10.0 10.00   2.71  39.18) =  99.991%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.76 +/- 3.37   5.540% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HB2   ASP-  44   7.42 +/- 1.47   1.863% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HB2   ASP-  44  11.87 +/- 1.93   0.390% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  13.40 +/- 3.36   0.336% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  13.28 +/- 2.22   0.299% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  14.78 +/- 2.28   0.225% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  16.04 +/- 3.23   0.165% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.16 +/- 2.91   0.101% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.28 +/- 1.78   0.344% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  13.29 +/- 2.96   0.389% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  17.64 +/- 1.93   0.100% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.00 +/- 1.37   0.063% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 39.2:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.60 +/- 0.26  86.368% * 99.3093% (1.00  10.0 10.00   4.08  39.18) =  99.991%  kept
          HB    THR   77 - HB3   ASP-  44   9.63 +/- 2.45   4.165% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   57 - HB3   ASP-  44   9.37 +/- 3.13   5.262% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB3   ASP-  44  13.37 +/- 2.18   1.106% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  17.12 +/- 2.81   0.591% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  14.11 +/- 1.43   0.604% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB3   ASP-  44  17.59 +/- 2.51   0.513% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.38 +/- 1.63   0.544% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.18 +/- 1.00   0.369% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.39 +/- 4.86   0.132% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  21.95 +/- 3.95   0.200% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.82 +/- 4.30   0.148% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 39.2:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  95.832% * 99.4398% (1.00  10.0 10.00   2.71  39.18) =  99.997%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.25 +/- 2.01   1.410% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HB3   ASP-  44  13.97 +/- 2.50   0.896% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  10.64 +/- 2.89   0.739% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  11.16 +/- 1.88   0.697% *  0.0197% (0.20   1.0  1.00   0.02   0.48) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  18.54 +/- 4.63   0.121% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  19.86 +/- 3.64   0.086% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.33 +/- 4.71   0.092% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  19.09 +/- 3.58   0.127% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.7:
    * O T HB2   PHE   45 - HA    PHE   45   2.99 +/- 0.17  95.998% * 99.8680% (1.00  10.0 10.00   3.31  79.67) =  99.997%  kept
          QE    LYS+ 111 - HA    PHE   45  13.97 +/- 2.76   1.762% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HA    PHE   45  14.51 +/- 5.49   2.240% *  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 = 79.7:
    * O T HB3   PHE   45 - HA    PHE   45   2.61 +/- 0.21  94.036% * 99.6736% (1.00  10.0 10.00   4.00  79.67) =  99.996%  kept
          QE    LYS+ 112 - HA    PHE   45  12.26 +/- 3.32   1.874% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - HA    PHE   45  10.43 +/- 1.17   1.882% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HA    PHE   45  12.89 +/- 1.70   1.013% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    PHE   45  22.07 +/- 4.60   0.227% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.71 +/- 2.06   0.707% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  20.83 +/- 3.48   0.261% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.7:
    * O T HA    PHE   45 - HB2   PHE   45   2.99 +/- 0.17  98.396% * 99.9145% (1.00  10.0 10.00   3.31  79.67) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.39 +/- 0.79   1.142% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  19.46 +/- 3.20   0.462% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.7:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  97.333% * 99.6736% (1.00  10.0 10.00   3.31  79.67) =  99.998%  kept
          QE    LYS+ 112 - HB2   PHE   45  11.26 +/- 3.15   1.025% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   9.00 +/- 1.37   0.992% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HB2   PHE   45  12.57 +/- 2.36   0.342% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  23.35 +/- 4.18   0.053% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.06 +/- 2.40   0.192% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  21.77 +/- 3.27   0.062% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 79.7:
    * O T HA    PHE   45 - HB3   PHE   45   2.61 +/- 0.21  98.792% * 99.9145% (1.00  10.0 10.00   4.00  79.67) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.71 +/- 1.07   0.923% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  20.49 +/- 3.10   0.285% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.7:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.211% * 99.8680% (1.00  10.0 10.00   3.31  79.67) =  99.999%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.07 +/- 2.45   0.538% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB3   PHE   45  16.04 +/- 5.20   0.251% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 34.2:
    * O T HB    THR   46 - HA    THR   46   2.50 +/- 0.14  95.539% * 98.0423% (1.00  10.0 10.00   2.93  34.23) =  99.995%  kept
          HA    LYS+ 112 - HA    THR   46  11.85 +/- 2.12   2.097% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   37  26.03 +/- 1.53   0.093% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  26.08 +/- 4.53   0.124% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    SER   13  19.38 +/- 6.10   1.138% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    SER   37  18.24 +/- 6.72   0.590% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    THR   46  19.68 +/- 2.91   0.259% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  27.37 +/- 1.91   0.079% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  28.11 +/- 3.75   0.082% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HA    THR   46   2.98 +/- 0.31  56.978% * 97.3989% (1.00  10.0 10.00   3.00  34.23) =  99.950%  kept
          QD1   ILE   19 - HA    SER   13   8.47 +/- 2.85  14.263% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.013%
          QG2   VAL   18 - HA    SER   13  10.60 +/- 2.86  10.721% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.011%
          QG1   VAL   43 - HA    THR   46   9.47 +/- 1.19   2.597% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   41 - HA    SER   37   8.25 +/- 0.95   3.379% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   THR   46 - HA    SER   37  20.67 +/- 0.89   0.185% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    SER   37  12.63 +/- 3.48   2.135% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  20.84 +/- 3.98   0.257% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HA    SER   37  12.23 +/- 2.05   1.136% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    THR   46  15.74 +/- 5.92   0.777% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    SER   37  15.17 +/- 3.38   0.715% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  16.79 +/- 4.43   0.810% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  14.30 +/- 1.26   0.553% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  17.00 +/- 2.33   0.543% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  15.76 +/- 4.59   0.890% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   13  18.10 +/- 4.82   0.636% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  15.26 +/- 0.97   0.484% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   13  19.34 +/- 4.04   0.707% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    SER   37  12.51 +/- 1.39   0.914% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  15.32 +/- 4.20   1.054% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  19.88 +/- 3.30   0.262% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 34.2:
    * O T HA    THR   46 - HB    THR   46   2.50 +/- 0.14  96.438% * 98.0777% (1.00  10.0 10.00   2.93  34.23) =  99.996%  kept
          HA    PRO   58 - HB    THR   46  12.24 +/- 2.96   1.736% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   37 - HB    THR   46  26.03 +/- 1.53   0.094% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  26.08 +/- 4.53   0.125% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.64 +/- 1.04   0.846% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  21.17 +/- 6.98   0.315% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.39 +/- 1.52   0.277% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  23.75 +/- 5.34   0.168% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  95.998% * 99.5878% (1.00  10.0 10.00   3.00  34.23) =  99.997%  kept
          QG1   VAL   43 - HB    THR   46   9.39 +/- 1.52   2.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HB    THR   46  14.85 +/- 5.87   0.756% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    THR   46  16.06 +/- 4.09   0.466% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.89 +/- 1.40   0.326% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  16.86 +/- 2.52   0.268% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  19.32 +/- 3.29   0.183% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HA    THR   46 - QG2   THR   46   2.98 +/- 0.31  87.926% * 98.0777% (1.00  10.0 10.00   3.00  34.23) =  99.985%  kept
          HA    PRO   58 - QG2   THR   46  10.06 +/- 2.80   6.280% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HA    SER   13 - QG2   THR   46  20.84 +/- 3.98   0.470% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   37 - QG2   THR   46  20.67 +/- 0.89   0.292% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   42 - QG2   THR   46   9.91 +/- 0.72   2.713% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   THR   46  16.85 +/- 5.85   0.938% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG2   THR   46  14.51 +/- 0.88   0.871% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  18.94 +/- 4.45   0.510% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  97.586% * 99.8459% (1.00  10.0 10.00   3.00  34.23) =  99.998%  kept
          HA    LYS+ 112 - QG2   THR   46  10.18 +/- 2.46   2.025% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  15.20 +/- 2.89   0.389% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.8:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.01  97.034% * 99.0048% (0.95  10.0 10.00   2.00  10.81) =  99.994%  kept
        T QG1   VAL   42 - HA    ALA   47  12.29 +/- 1.20   0.566% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HA    ALA   47  14.89 +/- 3.48   0.911% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HA    ALA   47  11.42 +/- 2.87   1.488% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.929, support = 2.02, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.01  61.170% * 89.8646% (0.95  10.0 10.00   2.00  10.81) =  96.953%  kept
          HA    CYS   50 - QB    ALA   47   3.53 +/- 1.16  27.537% *  5.3313% (0.42   1.0  1.00   2.65   6.78) =   2.589%  kept
          HA    TRP   49 - QB    ALA   47   4.66 +/- 0.42   6.667% *  3.8205% (0.26   1.0  1.00   3.06  15.99) =   0.449%  kept
        T HA    ALA   47 - QG1   VAL   42  12.29 +/- 1.20   0.372% *  0.6883% (0.72   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL  108 - QB    ALA   47  10.80 +/- 2.48   1.252% *  0.0881% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  108 - QG1   VAL   42   9.85 +/- 1.23   0.741% *  0.0675% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  11.82 +/- 2.65   0.716% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.99 +/- 1.17   0.294% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.30 +/- 1.63   0.234% *  0.0309% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.99 +/- 2.11   0.579% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.73 +/- 2.43   0.221% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  17.36 +/- 4.38   0.216% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.7, residual support = 9.17:
    * O T QB    SER   48 - HA    SER   48   2.23 +/- 0.05  79.308% * 96.0221% (1.00  10.0 10.00   1.70   9.17) =  99.956%  kept
        T QB    SER   85 - HB2   SER   82   5.46 +/- 0.46   5.750% *  0.2561% (0.27   1.0 10.00   0.02   2.87) =   0.019%
        T QB    SER   85 - HA    SER   48  14.82 +/- 4.03   1.876% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.014%
          HA2   GLY   51 - HA    SER   48   9.07 +/- 1.48   1.791% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HB2   SER   82  15.62 +/- 3.13   0.354% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER  117 - HA    SER   48  20.01 +/- 2.24   0.127% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  15.65 +/- 5.70   1.169% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.58 +/- 1.56   0.580% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  18.87 +/- 3.83   0.238% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  15.33 +/- 2.89   0.356% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  27.64 +/- 6.54   0.064% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  13.03 +/- 7.35   1.859% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  24.88 +/- 3.40   0.070% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.47 +/- 3.29   0.428% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  13.90 +/- 4.63   0.811% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  14.39 +/- 4.76   0.749% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.03 +/- 3.83   1.004% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  23.40 +/- 2.89   0.091% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.26 +/- 4.29   0.265% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.73 +/- 0.91   0.772% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  29.51 +/-10.87   0.289% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  24.23 +/- 3.40   0.081% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.17 +/- 2.38   0.306% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  25.45 +/- 3.03   0.064% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  23.53 +/- 5.45   0.254% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  10.64 +/- 1.93   0.994% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  30.07 +/- 4.97   0.043% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  30.36 +/- 4.63   0.041% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  23.69 +/- 3.15   0.080% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  21.85 +/- 4.38   0.186% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.12, residual support = 76.9:
    * O T HB2   TRP   49 - HA    TRP   49   2.47 +/- 0.18  83.855% * 50.9151% (1.00  10.0 10.00   4.21  85.66) =  89.096%  kept
        T HB2   TRP   49 - HA    CYS   50   5.16 +/- 0.43  10.870% * 47.9899% (0.94   1.0 10.00   3.34   5.13) =  10.886%  kept
        T HA2   GLY  109 - HA    CYS   50  15.18 +/- 4.26   1.543% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.012%
        T HA2   GLY  109 - HA    TRP   49  17.60 +/- 3.29   0.446% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   84 - HA    TRP   49  15.28 +/- 3.05   0.746% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA    CYS   50  14.83 +/- 3.43   0.743% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HA    TRP   49  21.91 +/- 3.27   0.185% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  19.64 +/- 1.71   0.189% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  21.13 +/- 2.25   0.161% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  23.51 +/- 2.45   0.119% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.70 +/- 4.21   0.588% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  14.86 +/- 3.31   0.556% *  0.0065% (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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.83, support = 4.11, residual support = 76.2:
    * O T HB3   TRP   49 - HA    TRP   49   2.51 +/- 0.26  86.418% * 51.4295% (0.84  10.0 10.00   4.21  85.66) =  88.204%  kept
        T HB3   TRP   49 - HA    CYS   50   5.58 +/- 0.65  12.261% * 48.4748% (0.79   1.0 10.00   3.32   5.13) =  11.795%  kept
          HB3   PHE   59 - HA    TRP   49  16.64 +/- 3.18   0.739% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    CYS   50  14.09 +/- 2.09   0.582% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 4.12, residual support = 76.9:
    * O T HA    TRP   49 - HB2   TRP   49   2.47 +/- 0.18  83.825% * 51.0809% (1.00  10.0 10.00   4.21  85.66) =  89.073%  kept
        T HA    CYS   50 - HB2   TRP   49   5.16 +/- 0.43  10.864% * 48.3205% (0.95   1.0 10.00   3.34   5.13) =  10.920%  kept
        T HA1   GLY  109 - HB2   TRP   49  18.13 +/- 4.03   0.483% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA   47 - HB2   TRP   49   7.10 +/- 0.47   3.965% *  0.0142% (0.28   1.0  1.00   0.02  15.99) =   0.001%
          HA    CYS   21 - HB2   TRP   49  23.82 +/- 5.60   0.197% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  28.79 +/- 4.55   0.234% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.54 +/- 3.34   0.431% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.13, residual support = 85.7:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.849% * 99.9042% (0.84  10.0 10.00   3.13  85.66) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.01 +/- 2.56   0.151% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.829, support = 4.11, residual support = 76.1:
    * O T HA    TRP   49 - HB3   TRP   49   2.51 +/- 0.26  81.851% * 51.0609% (0.84  10.0 10.00   4.21  85.66) =  88.135%  kept
        T HA    CYS   50 - HB3   TRP   49   5.58 +/- 0.65  11.593% * 48.3015% (0.79   1.0 10.00   3.32   5.13) =  11.808%  kept
          HA    ALA   47 - HB3   TRP   49   6.64 +/- 0.59   5.345% *  0.4969% (0.23   1.0  1.00   0.70  15.99) =   0.056%
          HA1   GLY  109 - HB3   TRP   49  18.41 +/- 3.84   0.420% *  0.0493% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  23.81 +/- 5.63   0.251% *  0.0483% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  28.70 +/- 4.39   0.134% *  0.0330% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.68 +/- 3.27   0.406% *  0.0101% (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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.13, residual support = 85.7:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.170% * 99.6151% (0.84  10.0 10.00   3.13  85.66) =  99.999%  kept
          HA    ALA   84 - HB3   TRP   49  15.38 +/- 3.30   0.248% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  17.72 +/- 4.04   0.267% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  22.89 +/- 2.90   0.057% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.27 +/- 2.08   0.041% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.31 +/- 4.30   0.217% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 1.96, residual support = 7.37:
    * O T QB    CYS   50 - HA    CYS   50   2.33 +/- 0.17  80.339% * 51.3514% (1.00  10.0 10.00   1.81   7.69) =  87.584%  kept
        T QB    CYS   50 - HA    TRP   49   4.55 +/- 0.32  12.078% * 48.4012% (0.94   1.0 10.00   3.05   5.13) =  12.410%  kept
          QE    LYS+  74 - HA    TRP   49  12.68 +/- 5.19   2.407% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    CYS   50  11.84 +/- 3.93   1.163% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  12.46 +/- 5.01   1.733% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50  12.38 +/- 4.49   1.569% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    TRP   49  24.54 +/- 5.33   0.125% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  19.39 +/- 4.03   0.278% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  23.25 +/- 3.51   0.107% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.14 +/- 2.59   0.201% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 1.96, residual support = 7.37:
    * O T HA    CYS   50 - QB    CYS   50   2.33 +/- 0.17  78.656% * 50.1734% (1.00  10.0 10.00   1.81   7.69) =  87.233%  kept
        T HA    TRP   49 - QB    CYS   50   4.55 +/- 0.32  11.824% * 47.4620% (0.95   1.0 10.00   3.05   5.13) =  12.405%  kept
          HA    ALA   47 - QB    CYS   50   5.48 +/- 0.63   7.300% *  2.2347% (0.45   1.0  1.00   1.99   6.78) =   0.361%  kept
          HA1   GLY  109 - QB    CYS   50  14.48 +/- 3.21   0.685% *  0.0501% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYS   50  13.72 +/- 2.91   1.087% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  19.30 +/- 3.87   0.207% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  24.19 +/- 3.47   0.241% *  0.0225% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 223.1:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  83.862% * 99.8323% (1.00  10.0 10.00   7.06 223.13) =  99.993%  kept
          HA    ALA   91 - HD2   PRO   52  11.33 +/- 4.05   9.110% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HD2   PRO   52  13.42 +/- 3.08   4.186% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HD2   PRO   52  16.91 +/- 3.38   2.415% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HD2   PRO   52  24.58 +/- 3.55   0.427% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 223.1:
    * O T HB2   PRO   52 - HD2   PRO   52   3.97 +/- 0.09  97.076% * 99.5699% (1.00  10.0 10.00   6.60 223.13) =  99.995%  kept
        T HG2   MET   96 - HD2   PRO   52  19.13 +/- 2.52   1.099% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  62 - HD2   PRO   52  16.02 +/- 1.90   1.824% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 6.64, residual support = 222.2:
    * O T HB3   PRO   52 - HD2   PRO   52   3.92 +/- 0.09  66.389% * 96.3043% (1.00  10.0 10.00   6.66 223.13) =  99.594%  kept
          HG2   ARG+  54 - HD2   PRO   52   7.10 +/- 0.76  12.691% *  1.9501% (0.38   1.0  1.00   1.08   1.93) =   0.386%  kept
        T HG    LEU  123 - HD2   PRO   52  22.98 +/- 2.42   0.372% *  0.9630% (1.00   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+  81 - HD2   PRO   52  15.46 +/- 3.69   2.230% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.005%
          HG2   PRO   93 - HD2   PRO   52   9.94 +/- 3.31   9.356% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HB3   GLN   90 - HD2   PRO   52  13.35 +/- 4.27   4.415% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   PRO   52  27.29 +/- 2.18   0.210% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   52  17.42 +/- 2.26   0.921% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  23.61 +/- 2.69   0.468% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   52  21.72 +/- 3.57   1.141% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  22.96 +/- 1.17   0.339% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.32 +/- 3.45   0.607% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  22.12 +/- 2.78   0.437% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.35 +/- 3.23   0.423% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.1:
    * O T HG2   PRO   52 - HD2   PRO   52   2.30 +/- 0.00  95.307% * 99.6094% (1.00  10.0 10.00   6.45 223.13) =  99.997%  kept
          HG2   MET   92 - HD2   PRO   52  10.97 +/- 3.35   3.215% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD2   PRO   52  14.85 +/- 2.33   0.478% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  16.66 +/- 3.74   0.365% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.42 +/- 1.78   0.541% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  29.55 +/- 5.04   0.062% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.06 +/- 2.14   0.031% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.1:
    * O T HG3   PRO   52 - HD2   PRO   52   2.87 +/- 0.00  93.044% * 98.5427% (1.00  10.0 10.00   6.45 223.13) =  99.985%  kept
        T HG2   PRO   58 - HD2   PRO   52  13.42 +/- 1.78   1.158% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.012%
          HB2   PRO   93 - HD2   PRO   52  10.00 +/- 2.99   5.069% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLN   32 - HD2   PRO   52  27.46 +/- 2.77   0.119% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  34.54 +/- 6.94   0.100% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  31.06 +/- 3.89   0.084% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  23.13 +/- 2.94   0.216% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  23.57 +/- 4.22   0.210% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 223.1:
    * O T HB2   PRO   52 - HA    PRO   52   2.45 +/- 0.21  99.254% * 99.5699% (1.00  10.0 10.00   5.22 223.13) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  20.34 +/- 2.40   0.220% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  15.23 +/- 1.52   0.525% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.1:
    * O T HB3   PRO   52 - HA    PRO   52   2.58 +/- 0.21  80.519% * 99.2796% (1.00  10.0 10.00   6.18 223.13) =  99.990%  kept
          HG2   ARG+  54 - HA    PRO   52   5.78 +/- 1.13  13.247% *  0.0373% (0.38   1.0  1.00   0.02   1.93) =   0.006%
        T QB    LYS+  81 - HA    PRO   52  17.56 +/- 3.96   1.012% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    PRO   52   9.80 +/- 3.42   2.969% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   52  21.45 +/- 2.76   0.182% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  17.46 +/- 1.79   0.322% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  15.42 +/- 4.01   0.685% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  24.60 +/- 2.37   0.132% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  21.73 +/- 3.25   0.335% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  24.13 +/- 1.23   0.106% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  22.46 +/- 2.68   0.164% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  25.26 +/- 3.04   0.147% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  26.19 +/- 2.79   0.112% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  28.32 +/- 1.98   0.068% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.1:
    * O T HG2   PRO   52 - HA    PRO   52   3.97 +/- 0.00  85.447% * 99.6094% (1.00  10.0 10.00   5.98 223.13) =  99.990%  kept
          HG2   MET   92 - HA    PRO   52  11.87 +/- 3.04   7.578% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLU- 114 - HA    PRO   52  13.72 +/- 2.11   2.798% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    PRO   52  19.10 +/- 3.10   1.021% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PRO   52  12.86 +/- 1.16   2.802% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    PRO   52  31.12 +/- 4.73   0.226% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.11 +/- 2.25   0.129% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.23 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 223.0:
    * O T HG3   PRO   52 - HA    PRO   52   3.88 +/- 0.00  86.461% * 98.7160% (1.00  10.0 10.00   5.95 223.13) =  99.953%  kept
        T HG2   PRO   58 - HA    PRO   52  11.60 +/- 1.32   3.729% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.043%
          HB2   PRO   93 - HA    PRO   52  10.52 +/- 2.87   8.310% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG2   MET   11 - HA    PRO   52  34.89 +/- 7.20   0.248% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  31.58 +/- 3.61   0.180% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  23.67 +/- 2.69   0.447% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  25.23 +/- 3.86   0.385% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.51 +/- 2.46   0.240% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.63 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 223.1:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  86.566% * 99.4673% (1.00  10.0 10.00   7.06 223.13) =  99.990%  kept
          HA    SER   48 - HA    PRO   52  11.19 +/- 1.89   6.326% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   88 - HA    PRO   52  19.23 +/- 3.94   1.214% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  17.81 +/- 3.46   1.516% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  18.98 +/- 4.10   1.751% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HA    PRO   52  22.88 +/- 3.89   0.711% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.56 +/- 2.60   0.188% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  21.14 +/- 2.02   0.647% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  24.97 +/- 5.42   0.451% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  29.73 +/- 5.42   0.255% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.89 +/- 3.25   0.213% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.73 +/- 1.91   0.161% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.62 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 223.1:
    * O T HA    PRO   52 - HB2   PRO   52   2.45 +/- 0.21  90.321% * 99.4915% (1.00  10.0 10.00   5.22 223.13) =  99.996%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.41 +/- 3.64   2.392% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB2   PRO   52  12.47 +/- 4.06   2.584% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - HG2   MET   96  20.34 +/- 2.40   0.200% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   MET   96   9.20 +/- 0.81   2.089% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.87 +/- 3.73   0.607% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  14.60 +/- 3.25   0.718% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.66 +/- 1.30   0.394% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  25.83 +/- 3.82   0.108% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.41 +/- 1.89   0.588% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 6.41, residual support = 222.7:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  79.313% * 96.8702% (1.00  10.0 10.00   6.42 223.13) =  99.813%  kept
          HG12  ILE  103 - HG2   MET   96   5.75 +/- 2.90   7.163% *  1.9614% (0.26   1.0  1.00   1.54   5.34) =   0.183%  kept
          HG2   PRO   93 - HB2   PRO   52   9.32 +/- 4.49   3.999% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HB2   PRO   52   7.87 +/- 1.12   1.279% *  0.0364% (0.38   1.0  1.00   0.02   1.93) =   0.001%
          HB    VAL   41 - HG2   MET   96   7.51 +/- 1.98   1.931% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   MET   96   6.77 +/- 1.83   2.195% *  0.0117% (0.12   1.0  1.00   0.02   5.34) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.07 +/- 4.01   0.168% *  0.1495% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.15 +/- 2.46   0.071% *  0.2846% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.59 +/- 1.45   1.595% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  16.27 +/- 3.45   0.154% *  0.0439% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  14.71 +/- 4.34   0.333% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.99 +/- 3.05   0.050% *  0.0969% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.11 +/- 2.01   0.083% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  23.90 +/- 2.70   0.038% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  21.21 +/- 3.56   0.081% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.75 +/- 1.79   0.034% *  0.0740% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.57 +/- 1.30   0.569% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  20.00 +/- 3.36   0.066% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.51 +/- 2.04   0.114% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.28 +/- 1.12   0.201% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  22.93 +/- 2.14   0.040% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  24.49 +/- 3.39   0.040% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.14 +/- 2.45   0.099% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.13 +/- 3.57   0.107% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.73 +/- 1.69   0.126% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  17.20 +/- 1.96   0.098% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  25.53 +/- 3.20   0.033% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  28.22 +/- 2.25   0.020% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 223.1:
    * O T HG2   PRO   52 - HB2   PRO   52   2.73 +/- 0.31  88.512% * 99.2053% (1.00  10.0 10.00   6.17 223.13) =  99.993%  kept
          HG2   MET   92 - HB2   PRO   52  11.05 +/- 3.80   4.710% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   52 - HG2   MET   96  18.35 +/- 2.72   0.368% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HB2   PRO   52  13.34 +/- 2.71   1.279% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB2   PRO   52  18.79 +/- 4.14   0.399% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.68 +/- 1.26   1.341% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.24 +/- 3.38   0.762% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  13.67 +/- 2.08   0.885% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.84 +/- 1.69   0.755% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  30.96 +/- 5.36   0.083% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  21.40 +/- 4.52   0.266% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.18 +/- 2.09   0.272% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  35.01 +/- 2.24   0.046% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.20 +/- 2.68   0.323% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.1:
    * O T HG3   PRO   52 - HB2   PRO   52   2.48 +/- 0.24  86.492% * 98.0617% (1.00  10.0 10.00   6.15 223.13) =  99.981%  kept
        T HG2   PRO   58 - HB2   PRO   52  12.47 +/- 1.91   1.130% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.013%
          HB2   PRO   93 - HB2   PRO   52  10.05 +/- 4.09   8.544% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   58 - HG2   MET   96  18.39 +/- 2.64   0.322% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  19.72 +/- 2.86   0.242% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG2   MET   96  12.01 +/- 1.34   0.964% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.76 +/- 5.14   0.281% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  35.30 +/- 7.34   0.079% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  31.92 +/- 4.29   0.056% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  24.12 +/- 2.07   0.107% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.90 +/- 2.99   0.584% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  18.56 +/- 2.93   0.303% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  16.16 +/- 4.28   0.614% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  29.16 +/- 5.01   0.081% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  25.00 +/- 4.54   0.129% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  28.33 +/- 2.89   0.073% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 223.1:
    * O T HD2   PRO   52 - HB2   PRO   52   3.97 +/- 0.09  66.049% * 99.0230% (1.00  10.0 10.00   6.60 223.13) =  99.983%  kept
          HA    SER   48 - HB2   PRO   52  11.34 +/- 1.85   4.111% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.005%
        T HD2   PRO   52 - HG2   MET   96  19.13 +/- 2.52   0.754% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HG2   MET   96  21.37 +/- 6.86  10.606% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PRO   52  18.45 +/- 4.07   0.946% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  18.32 +/- 4.07   1.207% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  18.53 +/- 3.13   0.908% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  17.09 +/- 3.81   1.385% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   MET   96  16.54 +/- 2.85   1.344% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   MET   96  17.31 +/- 2.36   1.177% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  15.76 +/- 3.13   1.675% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.22 +/- 5.19   2.071% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  17.04 +/- 5.35   2.251% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.27 +/- 4.17   0.525% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  17.73 +/- 2.15   0.878% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  31.34 +/- 3.18   0.148% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  21.50 +/- 2.42   0.485% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  25.18 +/- 6.23   0.343% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  30.03 +/- 6.17   0.189% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  17.75 +/- 3.61   1.059% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.50 +/- 3.27   0.809% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  30.73 +/- 3.80   0.165% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.25 +/- 2.13   0.792% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  32.60 +/- 2.32   0.124% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.1:
    * O T HA    PRO   52 - HB3   PRO   52   2.58 +/- 0.21  87.617% * 99.6990% (1.00  10.0 10.00   6.18 223.13) =  99.994%  kept
          HA    LYS+ 111 - HB3   PRO   52  10.95 +/- 3.47   3.919% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HA    PRO   52 - QB    LYS+  81  17.56 +/- 3.96   1.107% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB3   PRO   52  12.04 +/- 3.59   2.042% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   PRO   52  15.39 +/- 3.35   0.878% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.57 +/- 2.80   3.138% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  25.45 +/- 3.44   0.112% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  18.89 +/- 7.11   0.641% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  19.94 +/- 3.40   0.302% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  19.85 +/- 2.58   0.243% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.42, residual support = 223.1:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  98.616% * 99.4073% (1.00  10.0 10.00   6.42 223.13) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  19.15 +/- 2.46   0.088% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.07 +/- 4.01   0.209% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.96 +/- 1.85   0.179% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  16.27 +/- 3.45   0.191% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  21.21 +/- 5.66   0.716% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 223.1:
    * O T HG2   PRO   52 - HB3   PRO   52   2.53 +/- 0.31  80.792% * 99.2341% (1.00  10.0 10.00   6.21 223.13) =  99.967%  kept
          HG2   MET   92 - HB3   PRO   52  10.58 +/- 3.49   8.901% *  0.2668% (0.65   1.0  1.00   0.08   0.02) =   0.030%
        T HG2   PRO   52 - QB    LYS+  81  15.59 +/- 3.77   0.626% *  0.1138% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HB3   PRO   52  12.99 +/- 2.49   0.962% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    LYS+  81   7.22 +/- 0.66   4.282% *  0.0091% (0.09   1.0  1.00   0.02   1.24) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.58 +/- 3.88   0.378% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  21.66 +/- 6.41   0.803% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  20.87 +/- 9.23   1.176% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.79 +/- 1.40   0.649% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  12.96 +/- 2.71   0.988% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  30.61 +/- 5.01   0.066% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.65 +/- 2.28   0.035% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  18.88 +/- 2.76   0.259% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  28.35 +/- 5.01   0.084% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 222.6:
    * O T HG3   PRO   52 - HB3   PRO   52   2.63 +/- 0.24  84.732% * 93.2311% (1.00  10.0 10.00   6.18 223.13) =  99.784%  kept
        T HB2   PRO   93 - HB3   PRO   52   9.70 +/- 3.22   2.985% *  5.3389% (0.31   1.0 10.00   0.37   0.02) =   0.201%  kept
        T HG2   PRO   58 - HB3   PRO   52  12.37 +/- 1.61   1.001% *  0.9323% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   PRO   58 - QB    LYS+  81  21.17 +/- 5.93   0.854% *  0.1069% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - QB    LYS+  81  16.03 +/- 4.01   0.695% *  0.1069% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   24 - QB    LYS+  81  15.52 +/- 8.62   5.522% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  13.35 +/- 2.87   2.747% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  35.10 +/- 6.94   0.063% *  0.0914% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  31.69 +/- 3.86   0.057% *  0.0924% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  23.96 +/- 2.66   0.146% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  26.16 +/- 7.25   0.208% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  24.64 +/- 4.28   0.134% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  29.24 +/- 8.21   0.169% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.98 +/- 2.61   0.083% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.16 +/- 4.50   0.303% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  21.79 +/- 6.26   0.301% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 6.64, residual support = 222.0:
    * O T HD2   PRO   52 - HB3   PRO   52   3.92 +/- 0.09  39.623% * 95.8797% (1.00  10.0 10.00   6.66 223.13) =  99.472%  kept
          HB2   SER   82 - QB    LYS+  81   5.16 +/- 0.64  19.546% *  0.7374% (0.04   1.0  1.00   3.93  19.91) =   0.377%  kept
          HA    SER   48 - HB3   PRO   52  11.05 +/- 2.11   3.462% *  1.4757% (0.73   1.0  1.00   0.42   0.02) =   0.134%  kept
        T HD2   PRO   52 - QB    LYS+  81  15.46 +/- 3.69   1.456% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   85 - QB    LYS+  81   5.27 +/- 0.79  19.632% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HB3   PRO   52  30.96 +/- 2.83   0.088% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   PRO   52  17.96 +/- 3.82   0.603% *  0.0885% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   8.87 +/- 0.92   3.662% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QB    LYS+  81  13.01 +/- 3.72   4.495% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  17.98 +/- 3.82   0.708% *  0.0467% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  18.42 +/- 3.29   0.552% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  24.56 +/- 6.42   0.279% *  0.1040% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  30.34 +/- 3.53   0.098% *  0.2391% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QB    LYS+  81  19.82 +/- 5.14   2.976% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  23.01 +/- 7.43   0.432% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  32.21 +/- 2.14   0.074% *  0.1479% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.02 +/- 3.82   0.302% *  0.0327% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  29.80 +/- 5.93   0.120% *  0.0467% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  24.91 +/- 5.85   0.207% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  21.33 +/- 2.04   0.279% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  25.95 +/- 5.80   0.201% *  0.0170% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.73 +/- 9.10   0.439% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  21.69 +/- 8.75   0.556% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  26.38 +/- 4.42   0.212% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.41 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.1:
    * O T HA    PRO   52 - HG2   PRO   52   3.97 +/- 0.00  76.455% * 99.8323% (1.00  10.0 10.00   5.98 223.13) =  99.987%  kept
          HA    LYS+ 111 - HG2   PRO   52  12.08 +/- 3.65   7.742% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   91 - HG2   PRO   52  10.88 +/- 4.10  13.029% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL  107 - HG2   PRO   52  15.61 +/- 3.52   2.364% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   52  24.49 +/- 3.98   0.410% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 223.1:
    * O T HB2   PRO   52 - HG2   PRO   52   2.73 +/- 0.31  98.938% * 99.5699% (1.00  10.0 10.00   6.17 223.13) =  99.998%  kept
        T HG2   MET   96 - HG2   PRO   52  18.35 +/- 2.72   0.411% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  62 - HG2   PRO   52  16.17 +/- 2.15   0.651% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 223.1:
    * O T HB3   PRO   52 - HG2   PRO   52   2.53 +/- 0.31  80.907% * 99.2796% (1.00  10.0 10.00   6.21 223.13) =  99.991%  kept
          HG2   PRO   93 - HG2   PRO   52   8.99 +/- 4.02  11.784% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HG2   PRO   52   8.35 +/- 0.81   2.848% *  0.0373% (0.38   1.0  1.00   0.02   1.93) =   0.001%
        T QB    LYS+  81 - HG2   PRO   52  15.59 +/- 3.77   0.628% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG2   PRO   52  13.15 +/- 4.20   2.241% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   52  17.78 +/- 2.22   0.311% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  22.57 +/- 2.64   0.155% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.76 +/- 2.57   0.151% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.69 +/- 3.64   0.324% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.52 +/- 1.34   0.141% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.39 +/- 3.33   0.161% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  22.35 +/- 2.39   0.139% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  27.13 +/- 2.39   0.081% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.56 +/- 3.19   0.130% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.1:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  97.194% * 98.7160% (1.00  10.0 10.00   5.97 223.13) =  99.996%  kept
        T HG2   PRO   58 - HG2   PRO   52  13.23 +/- 1.99   0.288% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HG2   PRO   52   9.26 +/- 3.68   2.346% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HG2   PRO   52  34.70 +/- 7.00   0.023% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  31.18 +/- 4.30   0.020% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  23.41 +/- 2.45   0.046% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  23.54 +/- 4.69   0.053% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  27.24 +/- 3.00   0.029% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.1:
    * O T HD2   PRO   52 - HG2   PRO   52   2.30 +/- 0.00  95.680% * 99.4673% (1.00  10.0 10.00   6.45 223.13) =  99.997%  kept
          HA    SER   48 - HG2   PRO   52   9.20 +/- 1.85   2.593% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   PRO   52  16.95 +/- 3.67   0.340% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.89 +/- 3.70   0.446% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  17.78 +/- 3.35   0.320% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.64 +/- 3.69   0.176% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  30.15 +/- 3.27   0.047% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  24.34 +/- 6.44   0.120% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  29.46 +/- 6.32   0.063% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.06 +/- 1.92   0.119% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  29.46 +/- 3.97   0.056% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.40 +/- 2.44   0.040% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 223.0:
    * O T HA    PRO   52 - HG3   PRO   52   3.88 +/- 0.00  67.407% * 98.8988% (1.00  10.0 10.00   5.95 223.13) =  99.948%  kept
        T HA    PRO   52 - HG2   PRO   58  11.60 +/- 1.32   2.909% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.035%
          HA    LYS+ 111 - HG2   PRO   58  11.17 +/- 2.80   6.647% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   91 - HG3   PRO   52  11.56 +/- 4.39  10.833% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+ 111 - HG3   PRO   52  12.84 +/- 3.76   5.159% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL  107 - HG2   PRO   58  14.00 +/- 3.54   3.798% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG3   PRO   52  16.76 +/- 3.67   1.475% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  21.66 +/- 3.48   0.616% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  18.29 +/- 3.58   0.878% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  25.91 +/- 3.97   0.278% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.13 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.1:
    * O T HB2   PRO   52 - HG3   PRO   52   2.48 +/- 0.24  90.962% * 98.4337% (1.00  10.0 10.00   6.15 223.13) =  99.984%  kept
        T HB2   PRO   52 - HG2   PRO   58  12.47 +/- 1.91   1.189% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.011%
          HB2   ASP-  62 - HG2   PRO   58   6.37 +/- 0.83   6.916% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   MET   96 - HG2   PRO   58  18.39 +/- 2.64   0.344% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG3   PRO   52  19.72 +/- 2.86   0.256% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  17.49 +/- 1.89   0.334% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.0:
    * O T HB3   PRO   52 - HG3   PRO   52   2.63 +/- 0.24  77.991% * 97.4419% (1.00  10.0 10.00   6.18 223.13) =  99.958%  kept
        T HG2   PRO   93 - HG3   PRO   52  10.11 +/- 4.07   3.692% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   PRO   52 - HG2   PRO   58  12.37 +/- 1.61   0.921% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   PRO   93 - HG2   PRO   58  11.57 +/- 3.80   2.540% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU  123 - HG2   PRO   58  12.05 +/- 2.66   1.798% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HG3   PRO   52  16.03 +/- 4.01   0.639% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   58  21.17 +/- 5.93   0.784% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.86 +/- 0.93   2.521% *  0.0366% (0.38   1.0  1.00   0.02   1.93) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  11.00 +/- 2.13   1.488% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.16 +/- 2.08   2.133% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG3   PRO   52  13.35 +/- 4.78   1.997% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   PRO   58  15.77 +/- 2.25   0.471% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.69 +/- 3.02   0.533% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.19 +/- 2.92   0.196% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  18.99 +/- 2.08   0.249% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.73 +/- 2.74   0.127% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  24.15 +/- 2.68   0.137% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  20.07 +/- 1.36   0.190% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  22.05 +/- 3.65   0.316% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  24.01 +/- 1.41   0.107% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.73 +/- 3.44   0.164% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  23.76 +/- 2.42   0.131% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.02 +/- 2.81   0.166% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.69 +/- 3.77   0.204% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.16 +/- 2.96   0.161% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.77 +/- 3.27   0.133% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.63 +/- 2.62   0.144% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  28.47 +/- 2.34   0.068% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.964, support = 5.9, residual support = 220.0:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  68.033% * 86.8129% (1.00  10.0 10.00   5.97 223.13) =  95.843%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.60 +/- 0.32  23.568% * 10.8440% (0.12  10.0 10.00   4.26 147.93) =   4.147%  kept
          HG2   MET   92 - HG3   PRO   52  10.79 +/- 3.97   7.041% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   PRO   52 - HG2   PRO   58  13.23 +/- 1.99   0.203% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HG2   PRO   58  10.78 +/- 1.96   0.442% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.54 +/- 1.63   0.118% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  14.57 +/- 2.77   0.195% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  28.87 +/- 3.27   0.018% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  17.95 +/- 4.47   0.109% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.87 +/- 3.60   0.138% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.37 +/- 2.19   0.009% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  20.88 +/- 3.87   0.071% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.01 +/- 5.67   0.039% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  30.75 +/- 5.55   0.018% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.1:
    * O T HD2   PRO   52 - HG3   PRO   52   2.87 +/- 0.00  87.429% * 96.1754% (1.00  10.0 10.00   6.45 223.13) =  99.980%  kept
        T HD2   PRO   52 - HG2   PRO   58  13.42 +/- 1.78   1.088% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   48 - HG3   PRO   52  10.10 +/- 1.63   2.678% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   PRO   58  26.18 +/- 3.65   0.198% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   PRO   52  31.59 +/- 3.26   0.073% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  16.58 +/- 3.88   1.050% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   PRO   52  17.32 +/- 4.13   0.627% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  12.60 +/- 0.93   1.097% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HG2   PRO   58  25.97 +/- 4.22   0.218% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   PRO   52  17.28 +/- 4.01   0.767% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.11 +/- 1.77   1.541% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  19.16 +/- 3.44   0.424% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  22.89 +/- 5.53   0.592% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  30.85 +/- 3.96   0.084% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.15 +/- 4.70   0.278% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  26.84 +/- 3.08   0.131% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.30 +/- 4.00   0.301% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  32.90 +/- 2.39   0.061% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  22.21 +/- 4.37   0.237% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  18.83 +/- 4.48   0.411% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.55 +/- 6.00   0.272% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  25.79 +/- 6.28   0.170% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  30.89 +/- 6.18   0.094% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  23.23 +/- 2.04   0.181% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 2.96, residual support = 44.2:
    * O T HB2   CYS   53 - HA    CYS   53   2.89 +/- 0.18  73.804% * 89.5572% (1.00  10.0 10.00   2.96  44.06) =  98.824%  kept
          HD3   PRO   52 - HA    CYS   53   6.21 +/- 0.06   7.719% * 10.0731% (0.69   1.0  1.00   3.27  55.08) =   1.162%  kept
          HD2   PRO   58 - HA    CYS   53   7.20 +/- 2.32  17.622% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.012%
        T HB3   SER   82 - HA    CYS   53  20.53 +/- 3.41   0.270% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HA    CYS   53  18.67 +/- 3.01   0.349% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  25.18 +/- 2.59   0.128% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  27.11 +/- 2.16   0.107% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 3.35, residual support = 43.3:
    * O T HB3   CYS   53 - HA    CYS   53   2.57 +/- 0.22  69.097% * 78.9589% (1.00  10.0 10.00   3.37  44.06) =  97.470%  kept
          QB    PHE   55 - HA    CYS   53   4.38 +/- 0.60  17.210% *  3.9826% (0.87   1.0  1.00   1.16   0.02) =   1.225%  kept
          HD2   ARG+  54 - HA    CYS   53   6.99 +/- 0.78   4.177% * 16.3256% (0.99   1.0  1.00   4.17  31.76) =   1.218%  kept
          HD3   PRO   93 - HA    CYS   53   8.04 +/- 3.20   7.817% *  0.6121% (0.95   1.0  1.00   0.16   0.02) =   0.085%
          HB2   PHE   59 - HA    CYS   53  10.09 +/- 1.63   1.408% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    CYS   53  17.30 +/- 2.27   0.291% *  0.0729% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HA    CYS   53 - HB2   CYS   53   2.89 +/- 0.18  98.191% * 98.9901% (1.00  10.0 10.00   2.96  44.06) =  99.997%  kept
        T HA    GLU-  25 - HB2   CYS   53  25.70 +/- 3.86   0.174% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HB2   CYS   53  19.58 +/- 3.77   0.526% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  22.26 +/- 4.30   0.282% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.51 +/- 2.27   0.610% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  25.75 +/- 3.97   0.218% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 44.0:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  89.140% * 81.5641% (1.00  10.0 10.00   3.44  44.06) =  99.271%  kept
          HD2   ARG+  54 - HB2   CYS   53   6.50 +/- 1.24   2.907% * 18.1632% (0.99   1.0  1.00   4.49  31.76) =   0.721%  kept
          HD3   PRO   93 - HB2   CYS   53   8.88 +/- 3.15   5.471% *  0.0772% (0.95   1.0  1.00   0.02   0.02) =   0.006%
          QB    PHE   55 - HB2   CYS   53   6.27 +/- 0.42   2.026% *  0.0708% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53  11.89 +/- 1.50   0.328% *  0.0495% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  17.49 +/- 2.75   0.128% *  0.0753% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.37, residual support = 44.1:
    * O T HA    CYS   53 - HB3   CYS   53   2.57 +/- 0.22  98.487% * 99.7562% (1.00  10.0 10.00   3.37  44.06) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  21.52 +/- 4.63   0.216% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.96 +/- 2.01   0.520% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  25.15 +/- 4.12   0.138% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.36 +/- 3.71   0.487% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  25.17 +/- 4.22   0.151% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 44.0:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  86.569% * 85.5486% (1.00  10.0 10.00   3.44  44.06) =  99.441%  kept
          HD3   PRO   52 - HB3   CYS   53   6.42 +/- 0.64   1.981% * 12.8508% (0.69   1.0  1.00   4.37  55.08) =   0.342%  kept
          HD2   PRO   58 - HB3   CYS   53   8.05 +/- 2.73  11.195% *  1.4448% (0.53   1.0  1.00   0.64   0.02) =   0.217%  kept
          HA    VAL   83 - HB3   CYS   53  17.99 +/- 2.71   0.105% *  0.0384% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  24.63 +/- 2.78   0.035% *  0.0654% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.72 +/- 3.22   0.084% *  0.0169% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.89 +/- 2.74   0.030% *  0.0352% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 170.7:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.83 +/- 0.18  67.610% * 98.6035% (1.00  10.0 10.00   5.69 170.76) =  99.971%  kept
          HB    VAL  108 - HA    ARG+  54  16.90 +/- 4.09   9.160% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.013%
          HB    ILE  119 - HA    LEU  115   6.16 +/- 1.33  11.813% *  0.0263% (0.27   1.0  1.00   0.02   7.75) =   0.005%
          HB2   PRO   93 - HA    ARG+  54   9.92 +/- 2.28   3.572% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   ARG+  54 - HA    LEU  115  15.10 +/- 1.71   0.560% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    LEU  115   9.94 +/- 1.84   2.526% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.62 +/- 1.37   1.982% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    ARG+  54  14.44 +/- 1.59   0.620% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    ARG+  54  31.53 +/- 7.22   0.157% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  28.10 +/- 3.65   0.086% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  24.21 +/- 3.13   0.133% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  19.29 +/- 2.50   0.279% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  19.64 +/- 3.63   0.323% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  25.03 +/- 3.48   0.123% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  29.70 +/- 5.24   0.121% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.08 +/- 2.91   0.121% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.25 +/- 3.04   0.066% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.34 +/- 3.12   0.252% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.56 +/- 1.97   0.169% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.64 +/- 2.43   0.329% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.994, support = 5.64, residual support = 169.3:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.66 +/- 0.65  63.365% * 86.9622% (1.00  10.0 10.00   5.69 170.76) =  99.122%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.56 +/- 0.28   4.007% *  8.8232% (0.38   1.0 10.00   0.54   1.93) =   0.636%  kept
          HB    ILE   56 - HA    ARG+  54   6.53 +/- 0.83   8.559% *  1.0736% (0.41   1.0  1.00   0.60   0.02) =   0.165%  kept
        T QB    LYS+  81 - HA    ARG+  54  18.01 +/- 4.59   3.763% *  0.7543% (0.87   1.0 10.00   0.02   0.02) =   0.051%
        T HG3   PRO   68 - HA    ARG+  54  18.80 +/- 3.50   0.439% *  0.8619% (0.99   1.0 10.00   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HA    ARG+  54  17.15 +/- 3.78   2.826% *  0.0726% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   ARG+  54 - HA    LEU  115  15.30 +/- 1.96   0.556% *  0.2676% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LEU  115  16.53 +/- 2.85   0.557% *  0.2652% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HA    ARG+  54  17.00 +/- 3.96   1.037% *  0.0803% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  115   9.36 +/- 2.04   2.661% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LEU  115  14.39 +/- 2.33   0.688% *  0.1004% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    LEU  115  20.51 +/- 3.15   0.288% *  0.2321% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  115   8.97 +/- 1.80   2.868% *  0.0224% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  20.33 +/- 3.72   0.574% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   8.22 +/- 1.31   3.389% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    ARG+  54  24.21 +/- 3.65   0.213% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.08 +/- 2.02   0.625% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.48 +/- 1.13   1.004% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.78 +/- 2.91   0.109% *  0.0839% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  18.49 +/- 2.40   0.277% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  20.49 +/- 2.25   0.211% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  20.23 +/- 1.54   0.217% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.60 +/- 2.11   0.768% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.30 +/- 3.43   0.219% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  28.83 +/- 3.93   0.104% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  22.41 +/- 3.35   0.277% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  24.23 +/- 3.09   0.137% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  19.44 +/- 2.80   0.262% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.13 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.986, support = 5.46, residual support = 146.4:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.86 +/- 0.80  35.457% * 72.4581% (1.00 10.00   5.71 170.76) =  83.806%  kept
          HB3   CYS   53 - HA    ARG+  54   4.87 +/- 0.63  19.882% * 14.8811% (0.99  1.00   4.14  31.76) =   9.651%  kept
          QB    PHE   55 - HA    ARG+  54   5.06 +/- 0.14  16.372% * 12.1808% (0.80  1.00   4.20   4.05) =   6.505%  kept
          HD3   PRO   93 - HA    ARG+  54  10.40 +/- 3.11  10.734% *  0.0650% (0.90  1.00   0.02   0.02) =   0.023%
        T HD2   ARG+  54 - HA    LEU  115  15.99 +/- 2.10   0.544% *  0.2230% (0.31 10.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HA    LEU  115   6.60 +/- 1.15   9.072% *  0.0117% (0.16  1.00   0.02  28.10) =   0.003%
          HB2   PHE   59 - HA    ARG+  54  10.47 +/- 0.94   2.047% *  0.0381% (0.53  1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HA    ARG+  54  17.29 +/- 3.16   0.894% *  0.0629% (0.87  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HA    LEU  115  10.76 +/- 1.75   1.831% *  0.0179% (0.25  1.00   0.02   2.36) =   0.001%
          HD3   PRO   93 - HA    LEU  115  12.08 +/- 1.49   1.340% *  0.0200% (0.28  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HA    LEU  115  13.12 +/- 1.76   0.989% *  0.0221% (0.30  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    LEU  115  15.31 +/- 2.74   0.839% *  0.0193% (0.27  1.00   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 170.7:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.83 +/- 0.18  79.524% * 98.5625% (1.00  10.0 10.00   5.69 170.76) =  99.986%  kept
          HA    LYS+  81 - HB2   ARG+  54  19.05 +/- 4.84   8.142% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LEU  115 - HB2   ARG+  54  15.10 +/- 1.71   0.699% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA  124 - HB2   GLU-  14  21.70 +/- 6.49   2.519% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  31.53 +/- 7.22   0.181% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  28.10 +/- 3.65   0.102% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  15.72 +/- 4.12   1.562% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.08 +/- 2.91   0.144% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  25.98 +/- 2.26   0.120% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.05 +/- 1.97   0.490% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  29.70 +/- 5.24   0.141% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  25.69 +/- 8.55   0.821% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.24 +/- 3.73   0.119% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  21.77 +/- 6.50   1.213% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  14.89 +/- 4.03   0.929% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.59 +/- 4.46   0.567% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.91 +/- 2.57   0.083% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  24.07 +/- 5.50   0.776% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  20.30 +/- 5.59   0.459% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  34.16 +/- 2.91   0.050% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  31.54 +/- 3.13   0.074% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  20.49 +/- 4.36   0.383% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  28.68 +/- 7.50   0.160% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.16 +/- 6.67   0.403% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  32.35 +/- 8.44   0.136% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  28.44 +/- 3.26   0.100% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  32.67 +/- 6.03   0.102% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.991, support = 5.01, residual support = 160.1:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.89 +/- 0.53  61.220% * 74.2523% (1.00  10.0 10.00   5.12 170.76) =  93.065%  kept
          QB    PHE   55 - HB2   ARG+  54   4.71 +/- 0.63  17.584% * 10.1633% (0.80   1.0  1.00   3.42   4.05) =   3.659%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.21 +/- 0.82  11.349% * 13.6931% (0.99   1.0  1.00   3.72  31.76) =   3.182%  kept
        T HD3   PRO   93 - HB2   ARG+  54  11.07 +/- 2.79   6.511% *  0.6659% (0.90   1.0 10.00   0.02   0.02) =   0.089%
        T HD3   PRO   68 - HB2   ARG+  54  19.38 +/- 3.43   0.275% *  0.6441% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HB2   ARG+  54  12.51 +/- 0.96   1.022% *  0.0391% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   GLU-  14  18.14 +/- 4.63   0.410% *  0.0947% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HG2   MET   11  22.91 +/- 5.59   0.285% *  0.0623% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.49 +/- 4.27   0.111% *  0.0979% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  33.95 +/- 7.61   0.113% *  0.0718% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  30.65 +/- 4.07   0.073% *  0.1092% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  32.34 +/- 5.26   0.072% *  0.0644% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  22.68 +/- 3.24   0.205% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  26.85 +/- 6.72   0.295% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  26.89 +/- 3.27   0.114% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  27.57 +/- 3.93   0.092% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  29.86 +/- 6.35   0.163% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  31.28 +/- 6.68   0.105% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 170.7:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.86 +/- 0.80  79.429% * 99.0328% (1.00 10.00   5.71 170.76) =  99.974%  kept
          HA    LYS+  81 - HD2   ARG+  54  19.38 +/- 5.13  16.630% *  0.0641% (0.65  1.00   0.02   0.02) =   0.014%
        T HA    LEU  115 - HD2   ARG+  54  15.99 +/- 2.10   1.505% *  0.6007% (0.61 10.00   0.02   0.02) =   0.011%
          HA    ALA  124 - HD2   ARG+  54  26.70 +/- 2.10   0.300% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  17.91 +/- 2.33   1.178% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.86 +/- 3.44   0.288% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.50 +/- 2.36   0.247% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  34.71 +/- 2.83   0.158% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.20 +/- 3.31   0.263% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 170.7:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.89 +/- 0.53  88.377% * 97.9068% (1.00  10.0 10.00   5.12 170.76) =  99.970%  kept
        T HB2   PRO   93 - HD2   ARG+  54  12.13 +/- 2.27   1.900% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.019%
          HB    VAL  108 - HD2   ARG+  54  18.83 +/- 4.37   7.983% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.009%
        T HG3   GLN   30 - HD2   ARG+  54  27.61 +/- 3.43   0.159% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   ARG+  54  17.05 +/- 2.00   0.761% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD2   ARG+  54  33.95 +/- 7.61   0.165% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  30.65 +/- 4.07   0.111% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  26.83 +/- 2.99   0.162% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  22.07 +/- 3.90   0.301% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  32.88 +/- 3.15   0.081% *  0.0784% (0.80   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 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.995, support = 4.93, residual support = 169.6:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.72 +/- 0.20  79.779% * 88.7974% (1.00  10.0 10.00   4.96 170.76) =  99.323%  kept
        T HB3   PRO   52 - HD2   ARG+  54   7.87 +/- 1.28   4.611% *  9.0094% (0.38   1.0 10.00   0.54   1.93) =   0.582%  kept
        T QB    LYS+  81 - HD2   ARG+  54  18.52 +/- 5.24   7.882% *  0.7703% (0.87   1.0 10.00   0.02   0.02) =   0.085%
        T HG3   PRO   68 - HD2   ARG+  54  21.25 +/- 3.68   0.266% *  0.8801% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   ARG+  54  19.14 +/- 4.02   2.801% *  0.0742% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HD2   ARG+  54   9.23 +/- 1.03   2.466% *  0.0365% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   ARG+  54  17.32 +/- 4.76   0.856% *  0.0820% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   ARG+  54  22.95 +/- 3.75   0.379% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.71 +/- 4.02   0.256% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.01 +/- 2.75   0.245% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  28.15 +/- 2.74   0.083% *  0.0857% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  25.87 +/- 3.66   0.214% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  31.48 +/- 3.87   0.063% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  26.84 +/- 2.98   0.097% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.69, residual support = 20.4:
    * O T QB    PHE   55 - HA    PHE   55   2.40 +/- 0.13  81.172% * 87.4263% (1.00  10.0 10.00   3.70  20.70) =  98.320%  kept
          HD2   ARG+  54 - HA    PHE   55   5.78 +/- 1.07  10.103% * 11.9480% (0.80   1.0  1.00   3.41   4.05) =   1.672%  kept
          HB3   CYS   53 - HA    PHE   55   7.73 +/- 0.39   2.530% *  0.0758% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HA    PHE   55  11.17 +/- 2.74   1.459% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PHE   55   9.86 +/- 0.98   1.322% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    PHE   55 - HA    VAL   42  16.88 +/- 1.55   0.264% *  0.2058% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    VAL   42  11.77 +/- 2.22   1.196% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  18.95 +/- 2.75   0.221% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.76 +/- 2.29   0.824% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.02 +/- 1.71   0.415% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.91 +/- 1.59   0.320% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.73 +/- 2.77   0.173% *  0.0165% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.69, residual support = 20.7:
    * O T HA    PHE   55 - QB    PHE   55   2.40 +/- 0.13  92.233% * 97.5530% (1.00  10.0 10.00   3.70  20.70) =  99.860%  kept
          HA    ALA  110 - QB    PHE   55   8.47 +/- 2.99   6.883% *  1.8024% (0.87   1.0  1.00   0.43   0.61) =   0.138%  kept
        T HA    VAL   42 - QB    PHE   55  16.88 +/- 1.55   0.301% *  0.5523% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  14.89 +/- 2.64   0.583% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 0.992, support = 4.3, residual support = 121.4:
    * O T HB    ILE   56 - HA    ILE   56   2.45 +/- 0.15  85.579% * 83.7634% (1.00  10.0 10.00   4.35 123.21) =  98.517%  kept
        T HB3   PRO   58 - HA    ILE   56   6.31 +/- 1.42   6.867% * 15.6698% (0.49   1.0 10.00   0.77   0.02) =   1.479%  kept
          HG2   ARG+  54 - HA    ILE   56   7.53 +/- 0.83   3.481% *  0.0344% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HA    ILE   56  19.00 +/- 4.65   1.010% *  0.0608% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  14.74 +/- 2.80   0.697% *  0.0640% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    ILE   56  13.04 +/- 2.28   0.745% *  0.0575% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE   56  16.84 +/- 2.94   0.589% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  18.35 +/- 2.82   0.271% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.71 +/- 2.47   0.133% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  17.40 +/- 2.48   0.293% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.75 +/- 2.69   0.074% *  0.0808% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.12 +/- 2.37   0.108% *  0.0474% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.60 +/- 2.61   0.154% *  0.0314% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 123.2:
    * O   QG2   ILE   56 - HA    ILE   56   2.92 +/- 0.36  94.889% * 98.4757% (1.00  10.0  1.00   4.73 123.21) =  99.996%  kept
          QB    ALA   91 - HA    ILE   56  12.48 +/- 2.23   1.884% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HA    ILE   56  28.22 +/- 2.54   0.117% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  24.07 +/- 2.45   0.218% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE   56  19.66 +/- 1.42   0.348% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.66 +/- 3.78   0.430% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  20.02 +/- 1.46   0.333% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  14.01 +/- 1.84   1.038% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  21.27 +/- 3.61   0.351% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  19.91 +/- 3.22   0.391% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 123.2:
    * O T QG1   ILE   56 - HA    ILE   56   2.79 +/- 0.46  93.504% * 97.9351% (1.00  10.0 10.00   3.89 123.21) =  99.989%  kept
        T QD    LYS+ 106 - HA    ILE   56  16.25 +/- 3.10   0.983% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+  99 - HA    ILE   56  22.83 +/- 2.58   0.253% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HA    ILE   56  20.86 +/- 2.39   0.338% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    ILE   56  16.41 +/- 4.20   2.439% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    ILE   56  11.98 +/- 2.38   1.942% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  16.98 +/- 2.80   0.540% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 123.2:
    * O T HA    ILE   56 - HB    ILE   56   2.45 +/- 0.15  89.631% * 98.4172% (1.00  10.0 10.00   4.35 123.21) =  99.980%  kept
        T HA    PRO   58 - HB    ILE   56   7.65 +/- 0.96   3.804% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.012%
          HA    ASP- 113 - HB    ILE   56   8.92 +/- 2.58   5.586% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LEU  123 - HB    ILE   56  17.03 +/- 2.23   0.365% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HB    ILE   56  22.03 +/- 2.10   0.134% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.48 +/- 2.99   0.086% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.06 +/- 2.08   0.178% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  24.43 +/- 3.58   0.110% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.05 +/- 3.85   0.106% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 123.2:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  97.818% * 98.4757% (1.00  10.0 10.00   5.48 123.21) =  99.998%  kept
          QB    ALA   91 - HB    ILE   56  11.56 +/- 2.18   0.828% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB    ILE   56  27.73 +/- 2.97   0.051% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.44 +/- 2.18   0.080% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.16 +/- 1.82   0.150% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.50 +/- 1.96   0.136% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  20.26 +/- 3.23   0.151% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  13.70 +/- 1.95   0.458% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.90 +/- 3.38   0.123% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  19.37 +/- 3.78   0.204% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 123.2:
    * O T QG1   ILE   56 - HB    ILE   56   2.31 +/- 0.15  95.418% * 98.7886% (1.00  10.0 10.00   4.61 123.21) =  99.995%  kept
        T QD    LYS+ 106 - HB    ILE   56  15.16 +/- 2.99   0.594% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HB    ILE   56  20.34 +/- 2.19   0.159% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    ILE   56  15.76 +/- 4.61   1.548% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  10.59 +/- 2.63   1.720% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  15.87 +/- 2.88   0.436% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  22.13 +/- 2.30   0.124% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 123.2:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  87.604% * 98.4311% (1.00  10.0 10.00   5.48 123.21) =  99.992%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.60 +/- 1.29   4.566% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QG2   ILE   56   7.19 +/- 0.80   2.460% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG2   ILE   56   9.16 +/- 2.15   1.625% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QG2   ILE   56  21.75 +/- 2.13   0.092% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  11.30 +/- 2.22   1.075% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG2   ILE   56  14.53 +/- 3.24   0.606% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG2   ILE   56  13.72 +/- 2.58   0.432% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  13.56 +/- 2.08   0.501% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  14.68 +/- 2.58   0.555% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.13 +/- 2.13   0.162% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  17.07 +/- 2.16   0.197% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.55 +/- 1.94   0.123% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 123.2:
    * O T QG1   ILE   56 - QG2   ILE   56   2.26 +/- 0.24  89.954% * 98.7886% (1.00  10.0 10.00   4.86 123.21) =  99.990%  kept
        T QD    LYS+ 106 - QG2   ILE   56  12.56 +/- 2.49   0.937% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU   73 - QG2   ILE   56  12.56 +/- 3.87   4.747% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - QG2   ILE   56  17.01 +/- 1.85   0.251% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QG2   ILE   56   8.29 +/- 2.12   3.104% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  12.63 +/- 2.70   0.824% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QG2   ILE   56  18.48 +/- 1.79   0.183% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.87, residual support = 122.7:
    * O T HA    ILE   56 - QG1   ILE   56   2.79 +/- 0.46  75.267% * 95.8819% (1.00  10.0 10.00   3.89 123.21) =  99.547%  kept
          HA    PRO   58 - QG1   ILE   56   5.85 +/- 0.83  10.931% *  2.3139% (0.28   1.0  1.00   1.74   0.02) =   0.349%  kept
        T HA    ASP- 113 - QG1   ILE   56   7.69 +/- 1.97  11.407% *  0.6203% (0.65   1.0 10.00   0.02   0.02) =   0.098%
        T HA    LYS+  99 - QG1   ILE   56  18.35 +/- 1.54   0.352% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  123 - QG1   ILE   56  13.97 +/- 1.28   0.792% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QG1   ILE   56  22.29 +/- 2.49   0.253% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.53 +/- 1.65   0.527% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.59 +/- 2.97   0.248% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  22.92 +/- 3.29   0.223% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.6, residual support = 122.8:
    * O T HB    ILE   56 - QG1   ILE   56   2.31 +/- 0.15  86.593% * 93.5005% (1.00  10.0 10.00   4.61 123.21) =  99.628%  kept
          HB3   PRO   58 - QG1   ILE   56   6.23 +/- 0.79   5.486% *  5.2237% (0.49   1.0  1.00   2.30   0.02) =   0.353%  kept
        T QB    LYS+ 106 - QG1   ILE   56  11.47 +/- 2.26   1.785% *  0.7146% (0.76   1.0 10.00   0.02   0.02) =   0.016%
          HB2   MET   92 - QG1   ILE   56  10.60 +/- 2.19   1.368% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QG1   ILE   56   8.38 +/- 0.98   1.985% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG1   ILE   56  16.36 +/- 3.52   0.597% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  13.16 +/- 1.88   0.598% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  15.83 +/- 2.23   0.345% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  14.45 +/- 2.52   0.536% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.48 +/- 2.02   0.201% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.05 +/- 2.64   0.118% *  0.0902% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.35 +/- 1.91   0.237% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.94 +/- 1.88   0.150% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 123.2:
    * O T QG2   ILE   56 - QG1   ILE   56   2.26 +/- 0.24  95.603% * 98.4757% (1.00  10.0 10.00   4.86 123.21) =  99.996%  kept
        T HG3   LYS+  38 - QG1   ILE   56  23.38 +/- 2.51   0.116% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QG1   ILE   56  10.54 +/- 1.73   1.249% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  19.57 +/- 1.62   0.161% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.99 +/- 1.43   0.316% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  11.26 +/- 1.77   1.157% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.26 +/- 1.39   0.306% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.36 +/- 3.00   0.311% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  17.45 +/- 2.85   0.272% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  15.90 +/- 3.19   0.510% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.927, support = 6.55, residual support = 143.9:
    * O T HA    PRO   58 - HD2   PRO   58   3.83 +/- 0.07  39.392% * 97.5485% (0.95  10.0 10.00   6.69 147.93) =  97.250%  kept
          HA    ILE   56 - HD2   PRO   58   3.50 +/- 1.46  56.329% *  1.9249% (0.26   1.0  1.00   1.42   0.02) =   2.744%  kept
          HA    THR   46 - HD2   PRO   58  11.79 +/- 3.32   1.915% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HD2   PRO   58  20.56 +/- 1.52   0.320% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HD2   PRO   58  15.98 +/- 2.08   0.767% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  26.14 +/- 4.38   0.218% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  23.49 +/- 3.11   0.199% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  20.61 +/- 4.90   0.314% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  27.82 +/- 2.09   0.136% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.48 +/- 3.25   0.187% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.84 +/- 1.98   0.223% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 6.9, residual support = 147.9:
    * O T HB2   PRO   58 - HD2   PRO   58   3.89 +/- 0.27  81.672% * 99.1027% (0.95  10.0 10.00   6.90 147.93) =  99.949%  kept
          HB2   GLN  116 - HD2   PRO   58   9.51 +/- 2.37  11.316% *  0.3382% (0.54   1.0  1.00   0.12   0.02) =   0.047%
        T HB2   GLU- 100 - HD2   PRO   58  27.52 +/- 2.02   0.259% *  0.4443% (0.42   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HD2   PRO   58  17.17 +/- 2.64   1.405% *  0.0720% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HD2   PRO   58  11.22 +/- 2.16   4.994% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  27.96 +/- 5.19   0.353% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.93, residual support = 143.9:
    * O T HB3   PRO   58 - HD2   PRO   58   3.81 +/- 0.27  54.384% * 92.6418% (0.79  10.0 10.00   7.10 147.93) =  97.245%  kept
          HB    ILE   56 - HD2   PRO   58   5.13 +/- 1.25  28.962% *  4.8878% (0.79   1.0  1.00   1.06   0.02) =   2.732%  kept
        T HB3   GLN   30 - HD2   PRO   58  22.18 +/- 2.91   0.385% *  1.1091% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   LYS+  38 - HD2   PRO   58  26.20 +/- 3.30   0.271% *  1.0492% (0.89   1.0 10.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HD2   PRO   58   8.21 +/- 2.16   9.537% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HD2   PRO   58  15.02 +/- 3.19   1.379% *  0.1070% (0.91   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  81 - HD2   PRO   58  19.96 +/- 5.94   1.460% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD2   PRO   58  15.97 +/- 2.79   1.229% *  0.0456% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   58  20.09 +/- 4.13   0.562% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.55 +/- 2.49   0.827% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  29.44 +/- 7.82   0.721% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.57 +/- 2.67   0.282% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.17 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 147.9:
    * O T HG2   PRO   58 - HD2   PRO   58   2.76 +/- 0.26  90.914% * 98.7160% (0.95  10.0 10.00   6.60 147.93) =  99.980%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.31 +/- 1.93   1.544% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.017%
          HB2   PRO   93 - HD2   PRO   58  10.25 +/- 4.06   6.056% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.002%
          HG2   MET   11 - HD2   PRO   58  29.10 +/- 7.38   0.413% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  25.41 +/- 3.45   0.162% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  17.68 +/- 1.71   0.425% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  24.18 +/- 3.29   0.216% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.66 +/- 4.49   0.269% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 147.9:
    * O T HB2   PRO   58 - HA    PRO   58   2.52 +/- 0.22  96.749% * 99.2784% (1.00  10.0 10.00   6.26 147.93) =  99.989%  kept
        T HB2   GLN  116 - HA    PRO   58  10.11 +/- 1.72   1.773% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PHE   97 - HA    PRO   58  16.87 +/- 2.37   0.491% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  13.73 +/- 1.79   0.757% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.43 +/- 1.77   0.094% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  26.88 +/- 5.87   0.136% *  0.0276% (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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.23, residual support = 147.9:
    * O T HB3   PRO   58 - HA    PRO   58   2.52 +/- 0.22  89.354% * 98.4544% (0.84  10.0 10.00   6.23 147.93) =  99.948%  kept
        T HB    ILE   56 - HA    PRO   58   7.65 +/- 0.96   4.335% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.048%
          QB    LYS+  81 - HA    PRO   58  20.67 +/- 6.32   1.981% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    PRO   58  17.03 +/- 2.92   0.426% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58  10.30 +/- 1.85   1.830% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.72 +/- 3.37   0.268% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  16.67 +/- 2.59   0.463% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  24.34 +/- 3.62   0.179% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  27.75 +/- 7.94   0.472% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.95 +/- 3.98   0.198% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  17.49 +/- 1.99   0.304% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  22.03 +/- 3.07   0.189% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.9:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.02  84.310% * 98.7160% (1.00  10.0 10.00   5.98 147.93) =  99.972%  kept
        T HG3   PRO   52 - HA    PRO   58  14.90 +/- 1.57   1.847% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.022%
          HB2   PRO   93 - HA    PRO   58  11.76 +/- 3.62   7.902% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG2   MET   11 - HA    PRO   58  27.38 +/- 7.46   1.140% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  15.33 +/- 1.91   1.971% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    PRO   58  23.39 +/- 4.28   0.584% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    PRO   58  21.88 +/- 5.36   1.344% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  22.82 +/- 3.74   0.901% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.9:
    * O T HD2   PRO   58 - HA    PRO   58   3.83 +/- 0.07  90.696% * 98.5403% (0.95  10.0 10.00   6.69 147.93) =  99.991%  kept
        T HA    GLU- 100 - HA    PRO   58  25.77 +/- 1.85   0.314% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HB2   CYS   53 - HA    PRO   58  10.70 +/- 2.28   7.568% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HA    PRO   58  23.64 +/- 3.21   0.520% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  22.80 +/- 5.06   0.902% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.9:
    * O T HA    PRO   58 - HB2   PRO   58   2.52 +/- 0.22  89.407% * 99.4356% (1.00  10.0 10.00   6.26 147.93) =  99.996%  kept
          HA    ILE   56 - HB2   PRO   58   6.35 +/- 1.25   7.796% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - HB2   PRO   58  14.32 +/- 3.18   0.802% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   PRO   58  13.89 +/- 2.33   0.801% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  19.93 +/- 1.71   0.198% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  19.48 +/- 5.56   0.338% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  22.28 +/- 3.80   0.168% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.97 +/- 4.89   0.139% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  26.72 +/- 2.32   0.084% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  25.52 +/- 3.40   0.111% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.43 +/- 2.36   0.158% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 147.9:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  96.525% * 98.9371% (0.84  10.0 10.00   4.51 147.93) =  99.996%  kept
        T QB    LYS+  81 - HB2   PRO   58  21.66 +/- 6.41   0.372% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HB2   PRO   58   7.78 +/- 1.18   1.487% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HB2   PRO   58  17.67 +/- 3.10   0.127% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.88 +/- 3.45   0.258% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.87 +/- 2.17   0.620% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  21.82 +/- 3.23   0.068% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  25.15 +/- 3.33   0.046% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  28.25 +/- 8.13   0.241% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.53 +/- 3.04   0.140% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.86 +/- 4.03   0.061% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.85 +/- 3.04   0.055% *  0.0295% (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 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 147.9:
    * O T HG2   PRO   58 - HB2   PRO   58   2.60 +/- 0.32  95.029% * 98.7160% (1.00  10.0 10.00   4.26 147.93) =  99.991%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.54 +/- 1.63   0.638% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.007%
          HG2   MET   11 - HB2   PRO   58  27.87 +/- 7.76   0.945% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HB2   PRO   58  12.63 +/- 3.77   1.737% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HB2   PRO   58  24.18 +/- 4.25   0.238% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.17 +/- 2.03   0.550% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  23.06 +/- 5.38   0.510% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.61 +/- 3.71   0.352% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.9, residual support = 147.9:
    * O T HD2   PRO   58 - HB2   PRO   58   3.89 +/- 0.27  91.121% * 98.5403% (0.95  10.0 10.00   6.90 147.93) =  99.991%  kept
        T HA    GLU- 100 - HB2   PRO   58  26.41 +/- 2.35   0.331% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HB2   CYS   53 - HB2   PRO   58  11.75 +/- 2.46   7.347% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HB2   PRO   58  24.48 +/- 2.83   0.444% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB2   PRO   58  23.76 +/- 5.28   0.757% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.83, support = 6.18, residual support = 146.6:
    * O T HA    PRO   58 - HB3   PRO   58   2.52 +/- 0.22  89.635% * 89.9074% (0.84  10.0 10.00   6.23 147.93) =  99.126%  kept
        T HA    ILE   56 - HB3   PRO   58   6.31 +/- 1.42   7.378% *  9.6072% (0.23   1.0 10.00   0.77   0.02) =   0.872%  kept
          HA    THR   46 - HB3   PRO   58  14.40 +/- 3.10   0.717% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  13.84 +/- 2.29   0.880% *  0.0337% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  20.06 +/- 2.35   0.243% *  0.0868% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.98 +/- 5.25   0.232% *  0.0897% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  22.19 +/- 3.78   0.201% *  0.0897% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  19.34 +/- 5.21   0.307% *  0.0473% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  26.86 +/- 2.79   0.101% *  0.0473% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  25.63 +/- 4.00   0.158% *  0.0224% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.58 +/- 2.22   0.148% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 147.9:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  98.561% * 99.1367% (0.84  10.0 10.00   4.51 147.93) =  99.998%  kept
        T HB3   PHE   97 - HB3   PRO   58  17.42 +/- 2.83   0.146% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HB3   PRO   58   9.33 +/- 2.24   0.985% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HB3   PRO   58  14.53 +/- 1.88   0.213% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  27.90 +/- 6.34   0.066% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.11 +/- 2.26   0.028% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.24, residual support = 147.9:
    * O T HG2   PRO   58 - HB3   PRO   58   2.66 +/- 0.32  94.999% * 97.0168% (0.84  10.0 10.00   4.24 147.93) =  99.987%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.62 +/- 1.64   0.593% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   MET   11 - HB3   PRO   58  27.99 +/- 7.98   0.392% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - HB3   PRO   58  24.07 +/- 4.38   0.181% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HB3   PRO   58  12.73 +/- 3.77   2.744% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB3   PRO   58  16.31 +/- 1.85   0.521% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  23.03 +/- 5.64   0.322% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.65 +/- 4.12   0.247% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.24 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.1, residual support = 147.9:
    * O T HD2   PRO   58 - HB3   PRO   58   3.81 +/- 0.27  91.842% * 98.5403% (0.79  10.0 10.00   7.10 147.93) =  99.991%  kept
        T HA    GLU- 100 - HB3   PRO   58  26.57 +/- 2.36   0.315% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.004%
          HB2   CYS   53 - HB3   PRO   58  11.76 +/- 2.42   6.603% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HB3   PRO   58  24.59 +/- 3.60   0.552% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   PRO   58  23.89 +/- 5.29   0.689% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.06 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 147.4:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  42.779% * 97.9061% (1.00  10.0 10.00   5.98 147.93) =  99.638%  kept
          HA    ILE   56 - HG2   PRO   58   4.49 +/- 1.82  42.793% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.329%  kept
        T HA    PRO   58 - HG3   PRO   52  14.90 +/- 1.57   0.976% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.018%
          HA    THR   46 - HG3   PRO   52   9.27 +/- 2.16   4.813% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HA    THR   46 - HG2   PRO   58  13.46 +/- 3.23   1.613% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG3   PRO   52  10.66 +/- 1.05   2.627% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG2   PRO   58  14.26 +/- 2.29   1.308% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   PRO   58  20.06 +/- 1.68   0.375% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  25.62 +/- 4.82   0.307% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  22.87 +/- 3.37   0.286% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  20.03 +/- 4.99   0.478% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   52  25.87 +/- 1.34   0.160% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  27.23 +/- 2.33   0.161% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  30.80 +/- 4.83   0.103% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.02 +/- 4.71   0.090% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  28.19 +/- 6.41   0.145% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  25.87 +/- 3.36   0.223% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  25.86 +/- 2.21   0.167% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.23 +/- 2.41   0.285% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.57 +/- 1.23   0.072% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  27.28 +/- 2.30   0.154% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  32.03 +/- 2.19   0.083% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.768, support = 4.72, residual support = 167.8:
    * O T HB2   PRO   58 - HG2   PRO   58   2.60 +/- 0.32  25.292% * 87.8577% (1.00  10.0 10.00   4.26 147.93) =  73.546%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  72.812% * 10.9746% (0.12  10.0 10.00   5.97 223.13) =  26.447%  kept
        T HB2   PRO   58 - HG3   PRO   52  15.54 +/- 1.63   0.126% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HG2   PRO   58   8.08 +/- 2.11   1.137% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   52 - HG2   PRO   58  13.23 +/- 1.99   0.217% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   PRO   58  16.56 +/- 3.21   0.135% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  17.28 +/- 3.40   0.131% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.36 +/- 2.70   0.053% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.01 +/- 5.67   0.042% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.80 +/- 2.57   0.022% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.81 +/- 2.62   0.013% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  30.75 +/- 5.55   0.019% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.23, residual support = 147.7:
    * O T HB3   PRO   58 - HG2   PRO   58   2.66 +/- 0.32  67.933% * 96.3832% (0.84  10.0 10.00   4.24 147.93) =  99.834%  kept
          HB    ILE   56 - HG2   PRO   58   5.89 +/- 1.55  12.456% *  0.7301% (0.84   1.0  1.00   0.15   0.02) =   0.139%  kept
          HB2   MET   92 - HG3   PRO   52  10.89 +/- 3.90   4.836% *  0.0902% (0.78   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   PRO   58 - HG3   PRO   52  15.62 +/- 1.64   0.424% *  0.7803% (0.68   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG2   PRO   58  21.17 +/- 5.93   0.729% *  0.4331% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG3   PRO   52  16.03 +/- 4.01   0.525% *  0.3506% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HG3   PRO   52  10.44 +/- 1.73   1.814% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HG3   PRO   52  13.35 +/- 4.78   2.911% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  16.22 +/- 3.04   0.525% *  0.1114% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HG2   PRO   58  15.77 +/- 3.39   1.150% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG2   PRO   58  28.93 +/- 8.05   0.238% *  0.2021% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.16 +/- 2.08   1.874% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.86 +/- 0.93   2.235% *  0.0144% (0.12   1.0  1.00   0.02   1.93) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  17.05 +/- 3.65   0.655% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.01 +/- 3.18   0.151% *  0.1154% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.69 +/- 3.02   0.564% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.58 +/- 3.41   0.095% *  0.1092% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  26.93 +/- 3.06   0.083% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.69 +/- 3.77   0.202% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  36.23 +/- 7.70   0.041% *  0.1636% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  22.05 +/- 3.65   0.320% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.92 +/- 1.95   0.042% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.16 +/- 2.96   0.127% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  28.47 +/- 2.34   0.067% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.20 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 6.59, residual support = 147.4:
    * O T HD2   PRO   58 - HG2   PRO   58   2.76 +/- 0.26  86.335% * 92.8713% (0.95  10.0 10.00   6.60 147.93) =  99.403%  kept
          HB2   CYS   53 - HG3   PRO   52   6.32 +/- 0.42   7.880% *  5.9438% (0.28   1.0  1.00   4.38  55.08) =   0.581%  kept
        T HD2   PRO   58 - HG3   PRO   52  12.31 +/- 1.93   1.458% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.014%
          HB2   CYS   53 - HG2   PRO   58  10.95 +/- 2.24   3.286% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   52  19.14 +/- 4.14   0.405% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  23.06 +/- 5.00   0.237% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.27 +/- 2.48   0.115% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.79 +/- 2.44   0.074% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  24.84 +/- 2.89   0.143% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.01 +/- 1.56   0.066% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 58.1:
    * O T HB2   PHE   59 - HA    PHE   59   2.56 +/- 0.21  93.382% * 99.6348% (1.00  10.0 10.00   3.28  58.13) =  99.995%  kept
          QB    PHE   55 - HA    PHE   59  10.04 +/- 0.80   1.788% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  11.07 +/- 2.45   1.760% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HA    PHE   59  11.47 +/- 1.83   1.411% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   59  14.03 +/- 2.35   0.830% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  13.47 +/- 1.31   0.828% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 58.1:
    * O T HB3   PHE   59 - HA    PHE   59   2.94 +/- 0.17  99.427% * 99.9552% (1.00  10.0 10.00   3.97  58.13) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  18.98 +/- 3.11   0.573% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 58.1:
    * O T HA    PHE   59 - HB2   PHE   59   2.56 +/- 0.21  84.066% * 99.8386% (1.00  10.0 10.00   3.28  58.13) =  99.989%  kept
          HA    ASP- 113 - HB2   PHE   59   8.54 +/- 2.39  15.272% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          HA    TRP   87 - HB2   PHE   59  22.64 +/- 2.95   0.159% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.77 +/- 2.49   0.338% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  22.60 +/- 3.29   0.164% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.1:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.891% * 99.9552% (1.00  10.0 10.00   3.44  58.13) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.77 +/- 2.66   0.109% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.96, residual support = 58.1:
    * O T HA    PHE   59 - HB3   PHE   59   2.94 +/- 0.17  84.042% * 99.5570% (1.00  10.0 10.00   3.97  58.13) =  99.939%  kept
          HA    ASP- 113 - HB3   PHE   59   8.53 +/- 2.15  15.098% *  0.3384% (0.57   1.0  1.00   0.12   0.02) =   0.061%
          HA    TRP   87 - HB3   PHE   59  21.90 +/- 2.90   0.249% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.93 +/- 1.99   0.364% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  22.91 +/- 2.98   0.247% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.1:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  97.068% * 99.6348% (1.00  10.0 10.00   3.44  58.13) =  99.998%  kept
          QB    PHE   55 - HB3   PHE   59   8.39 +/- 1.11   1.069% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59  10.02 +/- 1.80   0.717% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  12.00 +/- 2.65   0.510% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  12.66 +/- 2.05   0.318% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.42 +/- 1.62   0.318% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HB2   PHE   60 - HA    PHE   60   2.83 +/- 0.24  99.472% * 99.9010% (1.00  10.0 10.00   4.00  72.27) =  99.999%  kept
          HB2   TRP   87 - HA    PHE   60  19.15 +/- 2.96   0.528% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HB3   PHE   60 - HA    PHE   60   2.76 +/- 0.26  93.313% * 99.7797% (1.00  10.0 10.00   4.00  72.27) =  99.995%  kept
          QE    LYS+ 106 - HA    PHE   60  14.45 +/- 2.81   3.534% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   97 - HA    PHE   60  12.05 +/- 2.09   1.836% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  14.68 +/- 3.13   1.051% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  21.35 +/- 2.92   0.266% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HA    PHE   60 - HB2   PHE   60   2.83 +/- 0.24  88.630% * 99.8400% (1.00  10.0 10.00   4.00  72.27) =  99.997%  kept
          QB    SER  117 - HB2   PHE   60  11.70 +/- 1.62   1.705% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   PHE   60  12.35 +/- 3.75   5.031% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   PHE   60  10.33 +/- 2.11   2.636% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  13.07 +/- 1.99   1.229% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  14.94 +/- 1.60   0.767% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.697% * 99.7797% (1.00  10.0 10.00   4.00  72.27) =  99.999%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.61 +/- 3.03   0.609% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HB2   PHE   60  13.00 +/- 2.50   0.439% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.29 +/- 2.88   0.203% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.87 +/- 2.66   0.052% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HA    PHE   60 - HB3   PHE   60   2.76 +/- 0.26  90.205% * 99.8400% (1.00  10.0 10.00   4.00  72.27) =  99.997%  kept
          QB    SER  117 - HB3   PHE   60  11.38 +/- 1.63   1.721% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   PHE   60  10.22 +/- 2.18   2.726% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB3   PHE   60  12.59 +/- 3.46   3.546% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  13.21 +/- 1.85   1.032% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  14.62 +/- 1.67   0.771% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.823% * 99.9010% (1.00  10.0 10.00   4.00  72.27) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.94 +/- 2.87   0.177% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.8:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  85.749% * 98.4786% (1.00  10.0 10.00   2.21  17.83) =  99.984%  kept
        T QB    ALA  110 - HA    ALA   61  12.54 +/- 2.24   0.677% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.007%
          QG    LYS+  66 - HA    ALA   61   7.73 +/- 1.14   2.469% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HA    ALA   61   8.31 +/- 1.05   1.687% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    ALA   61  11.35 +/- 2.73   2.380% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    ALA   61   8.95 +/- 2.55   2.746% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    ALA   61  10.68 +/- 1.92   2.634% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  15.86 +/- 5.01   0.519% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA   61  17.67 +/- 4.02   0.256% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  16.89 +/- 3.39   0.251% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  13.73 +/- 1.36   0.366% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.63 +/- 1.27   0.194% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  24.31 +/- 2.54   0.070% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.8:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  76.899% * 98.9510% (1.00  10.0 10.00   2.21  17.83) =  99.983%  kept
          HD3   PRO   58 - QB    ALA   61   5.16 +/- 1.06  16.345% *  0.0444% (0.45   1.0  1.00   0.02   0.97) =   0.010%
        T HA    ALA   61 - QB    ALA  110  12.54 +/- 2.24   0.502% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.005%
          HD2   PRO   68 - QB    ALA   61   9.62 +/- 1.11   0.947% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110   9.42 +/- 3.06   1.945% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61  10.09 +/- 2.13   2.328% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QB    ALA  110  17.61 +/- 2.54   0.167% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  15.63 +/- 3.12   0.312% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.31 +/- 2.18   0.368% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  19.04 +/- 3.35   0.187% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.84 +/- 0.22  99.281% * 99.9434% (1.00  10.0 10.00   3.00  40.97) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.73 +/- 2.28   0.719% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.72 +/- 0.27  98.563% * 99.7306% (0.98  10.0 10.00   3.00  40.97) =  99.999%  kept
          HG3   MET   96 - HA    ASP-  62  17.86 +/- 2.10   0.442% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  22.82 +/- 5.09   0.604% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  24.41 +/- 4.52   0.224% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  24.50 +/- 3.12   0.167% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.84 +/- 0.22  96.754% * 99.8236% (1.00  10.0 10.00   3.00  40.97) =  99.998%  kept
          HA    SER  117 - HB2   ASP-  62  12.44 +/- 1.84   1.639% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB2   ASP-  62  20.49 +/- 4.98   0.937% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB2   ASP-  62  25.21 +/- 5.73   0.671% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00  99.676% * 99.7306% (0.98  10.0 10.00   3.00  40.97) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.21 +/- 1.98   0.122% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  23.23 +/- 5.16   0.107% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  24.44 +/- 3.96   0.053% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  24.92 +/- 3.37   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   2.72 +/- 0.27  97.276% * 99.8236% (0.98  10.0 10.00   3.00  40.97) =  99.998%  kept
          HA    SER  117 - HB3   ASP-  62  12.63 +/- 2.20   1.427% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB3   ASP-  62  20.62 +/- 4.83   0.795% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  25.38 +/- 5.82   0.501% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00  99.830% * 99.4370% (0.98  10.0 10.00   3.00  40.97) =  99.999%  kept
        T HB2   PRO   52 - HB3   ASP-  62  16.39 +/- 2.28   0.170% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.5:
    * O T HB2   LEU   63 - HA    LEU   63   2.87 +/- 0.18  84.168% * 99.1997% (1.00  10.0 10.00   6.28 242.52) =  99.985%  kept
          HB3   ASP-  44 - HA    LEU   63  10.28 +/- 3.41   7.418% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.009%
          QB    ALA  124 - HA    LEU   63  13.12 +/- 2.87   1.255% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  16.91 +/- 3.68   1.142% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   63  13.50 +/- 2.82   1.398% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  16.03 +/- 2.44   0.767% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   63  18.34 +/- 3.66   0.797% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   63  20.38 +/- 4.05   0.346% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  17.70 +/- 3.18   0.590% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  18.14 +/- 1.98   0.386% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  18.37 +/- 3.29   0.638% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  16.68 +/- 3.78   0.827% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  21.89 +/- 3.35   0.269% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.5:
    * O T HB3   LEU   63 - HA    LEU   63   2.57 +/- 0.21  71.297% * 99.7424% (1.00  10.0 10.00   5.98 242.52) =  99.979%  kept
          QG1   VAL   70 - HA    LEU   63   5.26 +/- 1.72  19.295% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.015%
          QG1   VAL   18 - HA    LEU   63  10.52 +/- 5.15   2.677% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   63   8.26 +/- 2.52   5.158% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU   63  10.65 +/- 1.24   1.175% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    LEU   63  16.40 +/- 2.61   0.398% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.5:
    * O T HG    LEU   63 - HA    LEU   63   3.11 +/- 0.62  91.527% * 99.8120% (1.00  10.0 10.00   5.98 242.52) =  99.995%  kept
          QG2   VAL   24 - HA    LEU   63  15.74 +/- 4.32   2.555% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HA    LEU   63  14.07 +/- 1.30   1.289% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    LEU   63  10.78 +/- 2.60   4.629% *  0.0154% (0.15   1.0  1.00   0.02   0.12) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.08 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.775, support = 5.7, residual support = 242.4:
        T QD2   LEU   63 - HA    LEU   63   2.57 +/- 0.55  62.095% * 35.7505% (0.57 10.00   5.81 242.52) =  51.771%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.53 +/- 0.63  32.729% * 63.1462% (1.00 10.00   5.58 242.52) =  48.198%  kept
        T QD1   LEU   73 - HA    LEU   63  11.01 +/- 1.66   1.552% *  0.6315% (1.00 10.00   0.02   0.02) =   0.023%
        T QD1   LEU  104 - HA    LEU   63  13.37 +/- 3.11   0.670% *  0.3575% (0.57 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HA    LEU   63   8.71 +/- 1.34   1.925% *  0.0527% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU   63  16.63 +/- 3.13   0.455% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  17.22 +/- 3.23   0.574% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.9, support = 5.76, residual support = 242.5:
    *   T QD2   LEU   63 - HA    LEU   63   2.57 +/- 0.55  61.719% * 63.5438% (1.00 10.00   5.81 242.52) =  77.008%  kept
        T QD1   LEU   63 - HA    LEU   63   3.53 +/- 0.63  32.530% * 35.9756% (0.57 10.00   5.58 242.52) =  22.980%  kept
        T QD1   LEU   73 - HA    LEU   63  11.01 +/- 1.66   1.543% *  0.3598% (0.57 10.00   0.02   0.02) =   0.011%
          QD2   LEU  115 - HA    LEU   63   8.71 +/- 1.34   1.913% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HA    LEU   63  12.02 +/- 1.75   0.689% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  13.53 +/- 2.56   0.682% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.55 +/- 3.92   0.471% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.63 +/- 3.13   0.452% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.5:
    * O T HA    LEU   63 - HB2   LEU   63   2.87 +/- 0.18  97.583% * 99.2046% (1.00  10.0 10.00   6.28 242.52) =  99.983%  kept
        T HB2   HIS   22 - HB2   LEU   63  17.95 +/- 4.85   2.101% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.016%
          HA2   GLY  101 - HB2   LEU   63  20.78 +/- 2.38   0.316% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.5:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  82.140% * 99.7424% (1.00  10.0 10.00   6.31 242.52) =  99.988%  kept
          QG1   VAL   70 - HB2   LEU   63   5.76 +/- 2.17  14.620% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   18 - HB2   LEU   63  10.01 +/- 4.95   1.195% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   8.45 +/- 2.27   1.305% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU   63  10.37 +/- 1.63   0.551% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  14.59 +/- 2.44   0.189% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.5:
    * O T HG    LEU   63 - HB2   LEU   63   2.53 +/- 0.21  92.298% * 99.8120% (1.00  10.0 10.00   6.31 242.52) =  99.996%  kept
          QG2   VAL   24 - HB2   LEU   63  14.82 +/- 3.54   2.107% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HB2   LEU   63  12.46 +/- 1.66   1.096% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63   9.30 +/- 2.09   4.499% *  0.0154% (0.15   1.0  1.00   0.02   0.12) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.894, support = 6.13, residual support = 241.9:
    * O T QD1   LEU   63 - HB2   LEU   63   2.41 +/- 0.27  60.099% * 57.2980% (1.00  10.0 10.00   6.10 242.52) =  75.213%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.01 +/- 0.38  34.612% * 32.4395% (0.57  10.0 10.00   6.28 242.52) =  24.524%  kept
        T QD1   LEU   73 - HB2   LEU   63   9.93 +/- 1.96   1.188% *  9.8344% (1.00   1.0 10.00   0.34   0.02) =   0.255%  kept
        T QD1   LEU  104 - HB2   LEU   63  12.69 +/- 2.43   0.619% *  0.3244% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   LEU   63   7.39 +/- 1.22   2.815% *  0.0479% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   LEU   63  15.52 +/- 3.16   0.326% *  0.0459% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  15.86 +/- 3.05   0.341% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.785, support = 6.18, residual support = 242.1:
    * O T QD2   LEU   63 - HB2   LEU   63   3.01 +/- 0.38  34.318% * 60.0519% (1.00  10.0 10.00   6.28 242.52) =  50.342%  kept
      O T QD1   LEU   63 - HB2   LEU   63   2.41 +/- 0.27  59.587% * 33.9986% (0.57  10.0 10.00   6.10 242.52) =  49.487%  kept
        T QD1   LEU   73 - HB2   LEU   63   9.93 +/- 1.96   1.178% *  5.8354% (0.57   1.0 10.00   0.34   0.02) =   0.168%  kept
          QD2   LEU  115 - HB2   LEU   63   7.39 +/- 1.22   2.791% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB2   LEU   63  11.27 +/- 1.47   0.697% *  0.0364% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.69 +/- 2.15   0.678% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.35 +/- 3.92   0.427% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.52 +/- 3.16   0.323% *  0.0134% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.5:
    * O T HA    LEU   63 - HB3   LEU   63   2.57 +/- 0.21  98.680% * 99.8862% (1.00  10.0 10.00   5.98 242.52) =  99.999%  kept
          HB2   HIS   22 - HB3   LEU   63  18.07 +/- 4.54   1.021% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   LEU   63  20.02 +/- 2.78   0.299% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.5:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  85.332% * 99.1997% (1.00  10.0 10.00   6.31 242.52) =  99.984%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.74 +/- 3.88  12.344% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.014%
          HB3   PRO   93 - HB3   LEU   63  12.32 +/- 2.85   0.479% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  15.46 +/- 3.47   0.296% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  13.58 +/- 2.78   0.236% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  14.40 +/- 2.27   0.242% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  17.19 +/- 3.25   0.174% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  19.00 +/- 3.88   0.099% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.34 +/- 2.09   0.103% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  16.45 +/- 2.84   0.146% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  17.39 +/- 3.53   0.181% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  15.00 +/- 3.65   0.295% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  20.65 +/- 3.04   0.073% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.5:
    * O T HG    LEU   63 - HB3   LEU   63   2.89 +/- 0.20  91.025% * 99.8120% (1.00  10.0 10.00   6.00 242.52) =  99.995%  kept
          QG2   VAL   24 - HB3   LEU   63  14.52 +/- 3.71   3.188% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HB3   LEU   63  13.62 +/- 1.60   1.044% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB3   LEU   63   9.78 +/- 2.32   4.743% *  0.0154% (0.15   1.0  1.00   0.02   0.12) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.839, support = 5.85, residual support = 241.4:
    * O T QD1   LEU   63 - HB3   LEU   63   2.49 +/- 0.36  46.862% * 50.9559% (1.00  10.0 10.00   5.81 242.52) =  62.513%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.45 +/- 0.34  48.995% * 28.8489% (0.57  10.0 10.00   5.98 242.52) =  37.003%  kept
        T QD1   LEU   73 - HB3   LEU   63   9.79 +/- 1.66   0.920% * 19.8144% (1.00   1.0 10.00   0.78   0.02) =   0.477%  kept
        T QD1   LEU  104 - HB3   LEU   63  12.29 +/- 2.59   0.568% *  0.2885% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB3   LEU   63   8.23 +/- 1.53   2.179% *  0.0426% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU   63  15.55 +/- 3.09   0.239% *  0.0408% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  15.99 +/- 3.11   0.236% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.847, support = 5.91, residual support = 241.9:
    * O T QD2   LEU   63 - HB3   LEU   63   2.45 +/- 0.34  48.525% * 55.9220% (1.00  10.0 10.00   5.98 242.52) =  64.696%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.49 +/- 0.36  46.414% * 31.6605% (0.57  10.0 10.00   5.81 242.52) =  35.035%  kept
        T QD1   LEU   73 - HB3   LEU   63   9.79 +/- 1.66   0.911% * 12.3113% (0.57   1.0 10.00   0.78   0.02) =   0.268%  kept
          QD2   LEU  115 - HB3   LEU   63   8.23 +/- 1.53   2.159% *  0.0139% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   63  10.68 +/- 1.78   0.633% *  0.0339% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   63  12.16 +/- 2.52   0.862% *  0.0230% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.46 +/- 3.82   0.259% *  0.0230% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.55 +/- 3.09   0.237% *  0.0125% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.5:
    * O T HA    LEU   63 - HG    LEU   63   3.11 +/- 0.62  98.033% * 99.8862% (1.00  10.0 10.00   5.98 242.52) =  99.999%  kept
          HB2   HIS   22 - HG    LEU   63  18.58 +/- 5.11   1.487% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HG    LEU   63  20.40 +/- 2.73   0.480% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.53 +/- 0.21  76.328% * 99.1997% (1.00  10.0 10.00   6.31 242.52) =  99.973%  kept
          HB3   ASP-  44 - HG    LEU   63   9.04 +/- 4.08  16.095% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.021%
          HB2   LEU   31 - HG    LEU   63  16.04 +/- 4.03   1.826% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HG    LEU   63  12.12 +/- 3.48   1.299% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  13.18 +/- 2.44   0.720% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  14.74 +/- 2.49   0.585% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   63  17.55 +/- 3.89   0.632% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG    LEU   63  16.58 +/- 2.56   0.337% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  18.16 +/- 4.01   0.575% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  19.73 +/- 4.60   0.224% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.79 +/- 2.76   0.338% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  14.74 +/- 3.92   0.793% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  20.82 +/- 3.67   0.248% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.4:
    * O T HB3   LEU   63 - HG    LEU   63   2.89 +/- 0.20  62.507% * 99.7424% (1.00  10.0 10.00   6.00 242.52) =  99.969%  kept
          QG1   VAL   70 - HG    LEU   63   5.50 +/- 1.87  21.556% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.020%
          QD1   LEU  123 - HG    LEU   63   8.21 +/- 2.42   8.849% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HG    LEU   63  10.24 +/- 4.53   4.367% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HG    LEU   63  10.47 +/- 1.90   1.946% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HG    LEU   63  14.68 +/- 3.18   0.776% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 5.64, residual support = 242.5:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.251% * 63.0834% (1.00  10.0 10.00   5.56 242.52) =  63.601%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.759% * 35.7149% (0.57  10.0 10.00   5.78 242.52) =  36.387%  kept
        T QD1   LEU   73 - HG    LEU   63  10.75 +/- 1.91   0.500% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU  104 - HG    LEU   63  12.35 +/- 2.71   0.419% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HG    LEU   63   7.58 +/- 1.70   1.732% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - HG    LEU   63  16.55 +/- 3.63   0.173% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.25 +/- 3.69   0.166% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.71, residual support = 242.5:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.544% * 63.5438% (1.00  10.0 10.00   5.78 242.52) =  64.089%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.039% * 35.9756% (0.57  10.0 10.00   5.56 242.52) =  35.906%  kept
        T QD1   LEU   73 - HG    LEU   63  10.75 +/- 1.91   0.498% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HG    LEU   63   7.58 +/- 1.70   1.725% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HG    LEU   63  11.35 +/- 1.86   0.408% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.58 +/- 2.56   0.437% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  17.05 +/- 4.48   0.184% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.25 +/- 3.69   0.165% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.56, residual support = 241.3:
    *   T HA    LEU   63 - QD1   LEU   63   3.53 +/- 0.63  65.732% * 94.5725% (1.00 10.00   5.58 242.52) =  99.505%  kept
          HB2   HIS   22 - QD1   LEU   73  10.00 +/- 3.86   6.620% *  4.0807% (0.76  1.00   1.13   0.02) =   0.432%  kept
        T HA    LEU   63 - QD1   LEU   73  11.01 +/- 1.66   3.048% *  0.9457% (1.00 10.00   0.02   0.02) =   0.046%
        T HA    LEU   63 - QD1   LEU  104  13.37 +/- 3.11   2.578% *  0.2315% (0.24 10.00   0.02   0.02) =   0.010%
          HB2   HIS   22 - QD1   LEU   63  15.67 +/- 4.29   2.659% *  0.0723% (0.76  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - QD1   LEU  104   7.08 +/- 1.49  13.602% *  0.0087% (0.09  1.00   0.02   0.02) =   0.002%
          HB2   HIS   22 - QD1   LEU  104  18.58 +/- 5.63   3.249% *  0.0177% (0.19  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   73  15.19 +/- 2.75   1.563% *  0.0355% (0.38  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   63  16.32 +/- 2.43   0.950% *  0.0355% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 6.02, residual support = 238.8:
    * O T HB2   LEU   63 - QD1   LEU   63   2.41 +/- 0.27  40.891% * 74.4739% (1.00  10.0 10.00   6.10 242.52) =  98.426%  kept
        T HB2   LEU   63 - QD1   LEU   73   9.93 +/- 1.96   1.204% * 12.7824% (1.00   1.0 10.00   0.34   0.02) =   0.498%  kept
          HB2   LEU   31 - QD1   LEU   73   8.32 +/- 3.97   2.378% *  6.0561% (0.90   1.0  1.00   1.81   1.31) =   0.465%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.61 +/- 1.61  10.796% *  0.9530% (0.14   1.0  1.00   1.85  18.46) =   0.333%  kept
          HB2   LEU   31 - QD1   LEU   63  12.79 +/- 3.60   1.957% *  2.8726% (0.90   1.0  1.00   0.86   0.02) =   0.182%  kept
          HB3   ASP-  44 - QD1   LEU   63   7.42 +/- 3.69  13.942% *  0.0730% (0.98   1.0  1.00   0.02   0.02) =   0.033%
        T HB3   LEU   80 - QD1   LEU   73  12.69 +/- 3.56   0.784% *  0.7300% (0.98   1.0 10.00   0.02   0.02) =   0.019%
          HB3   ASP-  44 - QD1   LEU   73   8.02 +/- 3.23   7.409% *  0.0730% (0.98   1.0  1.00   0.02   3.39) =   0.017%
        T HB3   LEU   80 - QD1   LEU   63  16.32 +/- 3.91   0.180% *  0.7300% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - QD1   LEU   73  11.39 +/- 3.89   2.380% *  0.0482% (0.65   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   63 - QD1   LEU  104  12.69 +/- 2.43   0.473% *  0.1823% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD1   LEU   63   9.86 +/- 3.22   1.370% *  0.0482% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   80 - QD1   LEU  104  19.79 +/- 5.32   0.314% *  0.1787% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU  104   6.03 +/- 1.04   3.657% *  0.0146% (0.20   1.0  1.00   0.02  11.38) =   0.002%
          QB    ALA  124 - QD1   LEU   63  10.82 +/- 2.16   0.673% *  0.0668% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  11.22 +/- 2.62   0.661% *  0.0596% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  11.63 +/- 2.28   0.622% *  0.0596% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   73  17.01 +/- 4.65   0.424% *  0.0622% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU  104  10.80 +/- 3.38   1.235% *  0.0163% (0.22   1.0  1.00   0.02   0.50) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.39 +/- 2.50   0.323% *  0.0622% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  12.34 +/- 1.38   0.367% *  0.0512% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   63  13.36 +/- 2.22   0.441% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD1   LEU   63  14.63 +/- 3.41   0.519% *  0.0334% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   63  11.51 +/- 3.57   1.485% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   73  15.89 +/- 3.22   0.232% *  0.0668% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  14.53 +/- 3.18   0.288% *  0.0512% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  13.56 +/- 2.07   0.305% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  12.34 +/- 5.05   0.736% *  0.0163% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  13.40 +/- 2.33   0.305% *  0.0334% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.14 +/- 2.34   0.334% *  0.0179% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  11.31 +/- 2.42   0.606% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.99 +/- 2.46   0.392% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.89 +/- 0.63   1.349% *  0.0028% (0.04   1.0  1.00   0.02   0.23) =   0.000%
          QB    ALA   88 - QD1   LEU   73  15.55 +/- 2.11   0.201% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.43 +/- 1.57   0.145% *  0.0152% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.49 +/- 2.75   0.168% *  0.0125% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.60 +/- 1.41   0.176% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  17.11 +/- 3.01   0.151% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  18.33 +/- 2.82   0.129% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 5.73, residual support = 238.3:
    * O T HB3   LEU   63 - QD1   LEU   63   2.49 +/- 0.36  41.195% * 69.3252% (1.00  10.0 10.00   5.81 242.52) =  98.274%  kept
        T HB3   LEU   63 - QD1   LEU   73   9.79 +/- 1.66   0.949% * 26.9573% (1.00   1.0 10.00   0.78   0.02) =   0.880%  kept
          QG1   VAL   18 - QD1   LEU   73   7.92 +/- 5.47   7.238% *  3.1935% (0.69   1.0  1.00   1.34   0.58) =   0.795%  kept
          QG1   VAL   70 - QD1   LEU   63   4.53 +/- 1.80  17.338% *  0.0392% (0.57   1.0  1.00   0.02   0.02) =   0.023%
          QD1   LEU  123 - QD1   LEU   63   6.63 +/- 2.27  10.842% *  0.0236% (0.34   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   18 - QD1   LEU   63   8.73 +/- 3.90   2.319% *  0.0476% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   63 - QD1   LEU  104  12.29 +/- 2.59   0.583% *  0.1697% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   73   7.45 +/- 1.45   3.911% *  0.0236% (0.34   1.0  1.00   0.02   1.65) =   0.003%
          QG1   VAL   70 - QD1   LEU   73   8.73 +/- 0.94   1.024% *  0.0392% (0.57   1.0  1.00   0.02   0.87) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   8.59 +/- 2.49   3.531% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   63  11.77 +/- 2.83   0.751% *  0.0448% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU  104   8.04 +/- 2.46   5.789% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   8.49 +/- 1.35   1.293% *  0.0236% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  13.21 +/- 2.48   0.618% *  0.0448% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  12.83 +/- 3.17   0.766% *  0.0236% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  12.03 +/- 2.38   0.641% *  0.0117% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.12 +/- 1.14   0.419% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  11.22 +/- 3.70   0.794% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.51, residual support = 239.8:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  63.760% * 87.6691% (1.00  10.0 10.00   5.56 242.52) =  98.884%  kept
          QG2   VAL   24 - QD1   LEU   73   6.79 +/- 3.55   5.798% *  5.5246% (0.97   1.0  1.00   1.31   2.33) =   0.567%  kept
        T QG1   VAL  107 - QD1   LEU   63   7.08 +/- 2.58   6.035% *  3.9719% (0.15   1.0 10.00   0.59   0.12) =   0.424%  kept
          QG2   VAL   24 - QD1   LEU   63  12.13 +/- 3.76   3.670% *  1.4037% (0.97   1.0  1.00   0.33   0.02) =   0.091%
          HG3   LYS+ 112 - QD1   LEU   73  14.82 +/- 6.44  12.872% *  0.0670% (0.76   1.0  1.00   0.02   0.02) =   0.015%
        T HG    LEU   63 - QD1   LEU   73  10.75 +/- 1.91   0.662% *  0.8767% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QG1   VAL  107 - QD1   LEU   73  10.66 +/- 3.04   1.623% *  0.1353% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   63 - QD1   LEU  104  12.35 +/- 2.71   0.560% *  0.2146% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - QD1   LEU  104  12.66 +/- 4.15   3.017% *  0.0207% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   63  10.71 +/- 1.81   0.669% *  0.0670% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   8.16 +/- 0.70   1.188% *  0.0331% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU  104  16.56 +/- 1.60   0.146% *  0.0164% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.8, residual support = 242.3:
    *   T HA    LEU   63 - QD2   LEU   63   2.57 +/- 0.55  90.364% * 98.9854% (1.00 10.00   5.81 242.52) =  99.900%  kept
          HB2   HIS   22 - QD2   LEU   63  15.56 +/- 4.37   9.146% *  0.9775% (0.76  1.00   0.26   0.02) =   0.100%
          HA2   GLY  101 - QD2   LEU   63  16.32 +/- 2.86   0.490% *  0.0372% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.14 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.28, residual support = 242.4:
    * O T HB2   LEU   63 - QD2   LEU   63   3.01 +/- 0.38  61.879% * 98.3391% (1.00  10.0 10.00   6.28 242.52) =  99.941%  kept
          HB3   ASP-  44 - QD2   LEU   63   8.27 +/- 3.25  19.055% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.030%
        T HB3   LEU   80 - QD2   LEU   63  16.81 +/- 3.88   0.603% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   98 - QD2   LEU   63  11.83 +/- 2.58   3.183% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA  124 - QD2   LEU   63  10.51 +/- 2.68   2.527% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   31 - QD2   LEU   63  12.92 +/- 3.21   2.411% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD2   LEU   63  11.05 +/- 2.82   2.190% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD2   LEU   63  14.13 +/- 3.45   2.420% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - QD2   LEU   63  15.14 +/- 3.16   1.225% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD2   LEU   63  13.28 +/- 2.73   1.233% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD2   LEU   63  14.67 +/- 1.96   0.650% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  12.44 +/- 3.44   2.024% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   63  17.87 +/- 3.18   0.600% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.98, residual support = 242.4:
    * O T HB3   LEU   63 - QD2   LEU   63   2.45 +/- 0.34  49.023% * 99.7424% (1.00  10.0 10.00   5.98 242.52) =  99.946%  kept
          QG1   VAL   70 - QD2   LEU   63   3.80 +/- 1.72  32.822% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.038%
          QD1   LEU  123 - QD2   LEU   63   6.60 +/- 2.59  11.111% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   18 - QD2   LEU   63   8.16 +/- 4.01   4.971% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - QD2   LEU   63   8.20 +/- 1.31   1.534% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD2   LEU   63  12.86 +/- 2.52   0.539% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.78, residual support = 242.3:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.01  93.271% * 97.7944% (1.00  10.0 10.00   5.78 242.52) =  99.899%  kept
        T QG1   VAL  107 - QD2   LEU   63   8.01 +/- 2.36   4.414% *  2.0365% (0.15   1.0 10.00   0.27   0.12) =   0.098%
          QG2   VAL   24 - QD2   LEU   63  12.57 +/- 3.42   1.728% *  0.0944% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD2   LEU   63  11.89 +/- 1.21   0.587% *  0.0747% (0.76   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 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.7:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.01  99.393% * 99.9825% (1.00  10.0 10.00   2.00  20.69) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  13.43 +/- 2.33   0.607% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.11, residual support = 22.9:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  79.820% * 72.6945% (1.00  10.0 10.00   2.00  20.69) =  91.420%  kept
        T HB2   PHE   72 - QB    ALA   64   4.51 +/- 1.33  19.961% * 27.2831% (0.38   1.0 10.00   3.31  46.86) =   8.580%  kept
          HB3   ASN   35 - QB    ALA   64  15.93 +/- 1.96   0.219% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.918, support = 6.54, residual support = 157.4:
    * O T QB    LYS+  65 - HA    LYS+  65   2.31 +/- 0.16  76.561% * 86.1616% (0.92  10.0 10.00   6.56 159.15) =  98.658%  kept
          QB    LYS+  66 - HA    LYS+  65   5.32 +/- 0.18   6.684% * 13.3479% (0.52   1.0  1.00   5.47  30.19) =   1.334%  kept
          HB3   GLN   17 - HA    LYS+  65  13.71 +/- 8.49   6.572% *  0.0523% (0.56   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - HA    LYS+  65  12.29 +/- 2.20   0.801% *  0.0860% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HA    LYS+ 121  15.49 +/- 1.70   0.329% *  0.0972% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  16.30 +/- 2.69   0.417% *  0.0720% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  19.01 +/- 4.81   1.869% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  21.44 +/- 2.44   0.121% *  0.0845% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  15.99 +/- 1.58   0.264% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  15.63 +/- 6.07   3.056% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  15.56 +/- 5.71   0.775% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  13.52 +/- 3.95   1.025% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  15.52 +/- 4.75   0.515% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  20.02 +/- 2.42   0.148% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  15.60 +/- 5.68   0.711% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.02 +/- 1.28   0.153% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.53, residual support = 166.1:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.10 +/- 0.88  32.202% * 53.0514% (0.92  10.0 10.00   5.27 159.15) =  85.389%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.50 +/- 0.68  21.745% *  5.9339% (0.10   1.0 10.00   7.62 312.77) =   6.449%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.49 +/- 0.80   2.835% * 38.5232% (0.67   1.0 10.00   5.66  30.19) =   5.460%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.73 +/- 0.23  35.954% *  1.4928% (0.03  10.0 10.00   8.24 312.77) =   2.683%  kept
        T HD3   LYS+  74 - HA    LYS+  65   9.25 +/- 2.90   1.756% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   LYS+ 121 - HA    LYS+  65  17.22 +/- 2.03   0.153% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HA    LYS+  65   9.74 +/- 2.20   1.161% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HA    LYS+  65  14.75 +/- 3.99   0.720% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  66 - HA    LYS+ 121  14.63 +/- 4.33   0.598% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - HA    LYS+  65  16.72 +/- 2.06   0.165% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  18.21 +/- 2.19   0.145% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.32 +/- 1.08   0.335% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  18.06 +/- 4.87   0.390% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  20.26 +/- 2.70   0.102% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  12.75 +/- 5.86   0.721% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.62 +/- 1.91   0.107% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.60 +/- 2.78   0.094% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.13 +/- 5.76   0.482% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  19.73 +/- 3.03   0.127% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.48 +/- 1.66   0.206% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.908, support = 5.3, residual support = 161.6:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.40 +/- 0.37  42.850% * 94.0974% (0.92  10.0 10.00   5.27 159.15) =  98.322%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   3.92 +/- 0.77  31.890% *  2.1015% (0.02   1.0 10.00   6.68 312.77) =   1.634%  kept
        T HG3   LYS+  33 - HA    LYS+  65  18.04 +/- 4.24   0.485% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.011%
        T HG3   LYS+ 106 - HA    LYS+  65  19.94 +/- 2.61   0.289% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   84 - HA    LYS+  65  17.79 +/- 4.43   6.540% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HA    LYS+  65  11.40 +/- 1.51   1.428% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  65  11.65 +/- 1.42   1.384% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    LYS+  65  24.88 +/- 2.91   0.131% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - HA    LYS+ 121  19.09 +/- 5.89   0.737% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    LYS+ 121  14.69 +/- 4.67   0.778% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+  65   9.64 +/- 1.96   2.973% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    LYS+  65  16.95 +/- 2.86   0.689% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  18.22 +/- 1.96   0.303% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  18.74 +/- 6.40   0.530% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  17.89 +/- 5.09   0.703% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  17.97 +/- 2.37   0.333% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LYS+  65  14.63 +/- 2.48   1.188% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  16.30 +/- 1.81   0.462% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.22 +/- 4.93   1.720% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.62 +/- 2.48   0.364% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  21.65 +/- 5.49   0.680% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  18.47 +/- 3.73   0.487% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.88 +/- 4.64   0.969% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  16.06 +/- 0.93   0.429% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.52 +/- 5.36   0.854% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.93 +/- 1.49   0.292% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  19.59 +/- 3.33   0.357% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  23.18 +/- 2.66   0.156% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.806, support = 5.32, residual support = 179.3:
    *   T QD    LYS+  65 - HA    LYS+  65   3.35 +/- 0.50  33.837% * 84.8469% (0.92   1.0 10.00   4.88 159.15) =  85.739%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.88 +/- 0.13  47.958% *  9.5538% (0.10  10.0 10.00   8.30 312.77) =  13.683%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.62 +/- 0.90   7.712% *  2.3714% (0.04   1.0 10.00   1.45   2.28) =   0.546%  kept
        T HB2   LYS+ 121 - HA    LYS+  65  16.28 +/- 1.99   0.335% *  0.8466% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  38 - HA    LYS+  65  18.34 +/- 2.53   0.234% *  0.7832% (0.85   1.0 10.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HA    LYS+  65   9.28 +/- 2.61   2.199% *  0.0480% (0.52   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  123 - HA    LYS+  65  16.71 +/- 2.37   0.333% *  0.2894% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   83 - HA    LYS+  65  19.84 +/- 4.47   0.890% *  0.0841% (0.91   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    LYS+  65   9.54 +/- 2.30   2.935% *  0.0236% (0.26   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HA    LYS+  65  22.80 +/- 2.54   0.114% *  0.4804% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 121  17.83 +/- 6.94   0.585% *  0.0884% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HA    LYS+ 121  17.09 +/- 5.77   0.598% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 121  16.89 +/- 2.05   0.300% *  0.0958% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  22.36 +/- 1.98   0.116% *  0.2116% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  22.03 +/- 1.96   0.122% *  0.1309% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  15.98 +/- 2.61   0.446% *  0.0318% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.66 +/- 1.92   0.242% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  17.63 +/- 1.81   0.239% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  15.12 +/- 1.47   0.400% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.96 +/- 2.47   0.162% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.37 +/- 4.30   0.079% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.64 +/- 1.46   0.162% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.86, residual support = 159.0:
    *   T QE    LYS+  65 - HA    LYS+  65   4.10 +/- 0.71  75.722% * 97.2340% (0.92 10.00   4.87 159.15) =  99.918%  kept
        T QE    LYS+  33 - HA    LYS+  65  17.06 +/- 4.50   3.599% *  0.8720% (0.83 10.00   0.02   0.02) =   0.043%
        T HB2   ASN   28 - HA    LYS+  65  20.14 +/- 4.35   1.480% *  0.9384% (0.89 10.00   0.02   0.02) =   0.019%
        T QE    LYS+  33 - HA    LYS+ 121  17.94 +/- 5.42   5.534% *  0.0984% (0.09 10.00   0.02   0.02) =   0.007%
        T HB2   ASN   35 - HA    LYS+  65  21.33 +/- 3.05   0.770% *  0.5898% (0.56 10.00   0.02   0.02) =   0.006%
          HB2   ASP-  86 - HA    LYS+  65  23.18 +/- 5.00   2.289% *  0.0898% (0.85  1.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HA    LYS+ 121  17.62 +/- 1.75   1.293% *  0.1097% (0.10 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    LYS+  65  17.07 +/- 3.57   3.297% *  0.0365% (0.35  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HA    LYS+ 121  22.17 +/- 6.82   3.122% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  20.25 +/- 7.12   2.242% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  27.78 +/- 4.59   0.326% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  26.61 +/- 2.33   0.326% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 159.1:
    * O T HA    LYS+  65 - QB    LYS+  65   2.31 +/- 0.16  85.582% * 98.7802% (0.92  10.0 10.00   6.56 159.15) =  99.984%  kept
          QB    SER   48 - QB    LYS+  65  13.48 +/- 5.25   9.327% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LYS+ 121 - QB    LYS+  65  15.49 +/- 1.70   0.369% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QB    LYS+  65  15.12 +/- 6.80   1.196% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  13.58 +/- 1.82   0.575% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QB    LYS+  65  20.74 +/- 4.90   0.544% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QB    LYS+  65  15.12 +/- 2.30   0.455% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  14.74 +/- 3.35   0.534% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  14.73 +/- 2.86   0.551% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.40 +/- 1.09   0.408% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  22.95 +/- 4.50   0.244% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  19.46 +/- 3.36   0.215% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.961, support = 5.67, residual support = 140.8:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.37 +/- 0.16  75.299% * 57.5064% (1.00  10.0 10.00   5.70 159.15) =  85.742%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.26 +/- 1.09  17.234% * 41.7582% (0.73   1.0 10.00   5.50  30.19) =  14.250%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  15.08 +/- 1.72   0.375% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - QB    LYS+  65   9.57 +/- 2.21   1.823% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QB    LYS+  65  13.96 +/- 3.46   0.903% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  65   8.86 +/- 2.57   2.965% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QB    LYS+  65  12.97 +/- 0.97   0.500% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.52 +/- 1.68   0.397% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.75 +/- 1.61   0.304% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  18.64 +/- 2.33   0.201% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 159.1:
    * O T QD    LYS+  65 - QB    LYS+  65   2.21 +/- 0.17  88.333% * 97.4795% (1.00  10.0 10.00   5.34 159.15) =  99.987%  kept
        T QD    LYS+  38 - QB    LYS+  65  17.32 +/- 2.78   0.308% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   93 - QB    LYS+  65  13.77 +/- 2.29   0.647% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - QB    LYS+  65   8.98 +/- 2.51   2.718% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - QB    LYS+  65  18.26 +/- 4.23   1.503% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QB    LYS+  65   7.40 +/- 1.81   5.252% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QB    LYS+  65  21.08 +/- 2.19   0.111% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  14.13 +/- 1.65   0.396% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.14 +/- 1.56   0.155% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  18.81 +/- 1.58   0.165% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.09 +/- 2.05   0.413% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 159.1:
    *   T QE    LYS+  65 - QB    LYS+  65   3.12 +/- 0.59  89.689% * 98.8300% (1.00 10.00   5.43 159.15) =  99.979%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.38 +/- 3.44   1.590% *  0.8863% (0.90 10.00   0.02   0.02) =   0.016%
          HB2   ASP-  78 - QB    LYS+  65  15.61 +/- 3.54   5.457% *  0.0371% (0.38  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - QB    LYS+  65  21.20 +/- 4.60   1.910% *  0.0912% (0.92  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - QB    LYS+  65  18.94 +/- 4.06   0.866% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  20.13 +/- 3.00   0.488% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 159.1:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.10 +/- 0.88  82.066% * 97.8884% (0.92  10.0 10.00   5.27 159.15) =  99.962%  kept
        T HA    ALA  120 - HG2   LYS+  65  16.25 +/- 2.49   1.445% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.018%
          QB    SER   48 - HG2   LYS+  65  15.53 +/- 5.82   7.654% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - HG2   LYS+  65  18.21 +/- 2.19   0.793% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HA2   GLY   16 - HG2   LYS+  65  17.00 +/- 7.94   1.819% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HG2   LYS+  65  23.47 +/- 5.88   0.928% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG2   LYS+  65  17.25 +/- 3.78   1.306% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG2   LYS+  65  17.70 +/- 3.15   0.652% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG2   LYS+  65  17.30 +/- 3.55   1.162% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HG2   LYS+  65  17.10 +/- 1.67   0.983% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  21.69 +/- 3.81   0.691% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  26.14 +/- 5.53   0.501% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.971, support = 5.62, residual support = 150.7:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.37 +/- 0.16  83.345% * 63.6862% (1.00  10.0 10.00   5.70 159.15) =  93.426%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.31 +/- 1.05  10.352% * 36.0562% (0.57   1.0 10.00   4.41  30.19) =   6.570%  kept
          HB3   GLN   17 - HG2   LYS+  65  14.66 +/- 8.06   4.661% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG2   LYS+  65  14.15 +/- 2.00   0.584% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG2   LYS+  65  16.71 +/- 3.19   0.563% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG2   LYS+  65  22.71 +/- 2.35   0.121% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.64 +/- 1.43   0.236% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.51 +/- 2.33   0.139% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 159.1:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.44 +/- 0.10  88.363% * 96.4735% (1.00  10.0 10.00   4.55 159.15) =  99.970%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  10.39 +/- 3.12   2.641% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.70 +/- 2.11   0.334% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   83 - HG2   LYS+  65  20.57 +/- 5.45   2.664% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  65  19.44 +/- 3.29   0.280% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG2   LYS+  65   9.22 +/- 2.34   4.463% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  65  24.10 +/- 2.42   0.101% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.58 +/- 2.16   0.128% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.22 +/- 2.09   0.132% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.37 +/- 3.13   0.542% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  16.74 +/- 2.63   0.353% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 159.1:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.35 +/- 0.32  96.777% * 98.8300% (1.00  10.0 10.00   4.54 159.15) =  99.992%  kept
        T QE    LYS+  33 - HG2   LYS+  65  18.33 +/- 4.10   0.713% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ASP-  78 - HG2   LYS+  65  17.45 +/- 4.79   1.631% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG2   LYS+  65  20.92 +/- 4.80   0.354% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  23.97 +/- 5.76   0.353% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.50 +/- 3.44   0.172% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 159.1:
    *   T HA    LYS+  65 - QD    LYS+  65   3.35 +/- 0.50  44.585% * 96.9449% (0.92 10.00   4.88 159.15) =  99.945%  kept
          QB    SER   48 - QD    LYS+  65  13.91 +/- 5.47   9.627% *  0.0803% (0.76  1.00   0.02   0.02) =   0.018%
        T HA    LYS+ 121 - QD    LYS+  65  16.89 +/- 2.05   0.499% *  0.5946% (0.57 10.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - QD    LYS+  65  15.97 +/- 6.98   1.989% *  0.1014% (0.97  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QD    LYS+ 102  17.09 +/- 5.77   0.813% *  0.1503% (0.14 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+  38  17.83 +/- 6.94   0.961% *  0.1086% (0.10 10.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QD    LYS+  65  14.92 +/- 2.40   0.852% *  0.0993% (0.95  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD    LYS+  65  21.34 +/- 5.27   0.832% *  0.1014% (0.97  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+  38  18.34 +/- 2.53   0.420% *  0.1771% (0.17 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.66 +/- 1.92   0.403% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  22.36 +/- 1.98   0.179% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QD    LYS+ 102  22.80 +/- 2.54   0.175% *  0.2450% (0.23 10.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  65  15.24 +/- 3.40   0.720% *  0.0511% (0.49  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD3   LYS+ 111  15.95 +/- 4.41   4.090% *  0.0089% (0.08  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  17.63 +/- 1.81   0.393% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD    LYS+  65  16.47 +/- 2.71   0.510% *  0.0679% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  22.03 +/- 1.96   0.186% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
          QB    SER  117 - HD3   LYS+ 111   9.07 +/- 1.47   3.877% *  0.0065% (0.06  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD    LYS+  38   9.42 +/- 1.74   5.690% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  15.49 +/- 3.11   0.597% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.18 +/- 2.15   1.263% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.41 +/- 6.80   1.140% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  15.16 +/- 4.74   1.096% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.69 +/- 1.67   0.586% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.41 +/- 4.07   2.543% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.01 +/- 1.30   3.435% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  12.99 +/- 2.02   1.086% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.98 +/- 1.12   0.426% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  15.33 +/- 4.66   1.902% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.79 +/- 3.64   0.785% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  21.31 +/- 5.32   0.374% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.16 +/- 3.65   0.368% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  20.13 +/- 4.71   0.339% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.41 +/- 1.62   0.487% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.80 +/- 3.36   0.394% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  20.96 +/- 3.47   0.304% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  20.25 +/- 3.13   0.321% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.84 +/- 1.27   0.433% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  23.78 +/- 4.95   0.327% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.20 +/- 3.34   0.683% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.23 +/- 3.17   0.245% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.13 +/- 3.35   0.304% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.34 +/- 3.26   0.376% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  29.71 +/- 2.96   0.081% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.23 +/- 2.90   0.545% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  23.51 +/- 3.66   0.213% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  25.17 +/- 3.01   0.162% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.53 +/- 1.68   0.218% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  19.48 +/- 4.46   0.561% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  29.59 +/- 4.45   0.084% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.26 +/- 3.86   0.191% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.58 +/- 3.84   0.132% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  29.49 +/- 4.40   0.083% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.87 +/- 2.97   0.259% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  22.78 +/- 3.71   0.233% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  29.71 +/- 3.57   0.103% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  20.83 +/- 2.59   0.234% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  28.23 +/- 2.34   0.097% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  28.60 +/- 3.52   0.111% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  29.78 +/- 2.87   0.079% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.852, support = 5.2, residual support = 156.2:
    * O T QB    LYS+  65 - QD    LYS+  65   2.21 +/- 0.17  37.318% * 69.2698% (1.00  10.0 10.00   5.34 159.15) =  79.681%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.30 +/- 0.28  34.371% * 17.1615% (0.25  10.0 10.00   4.75 158.66) =  18.182%  kept
          QB    LYS+  66 - QD    LYS+  65   4.96 +/- 1.12   6.415% *  8.6725% (0.57   1.0  1.00   4.42  30.19) =   1.715%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.83 +/- 3.65  10.662% *  1.0149% (0.13   1.0 10.00   0.23   0.02) =   0.334%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.43 +/- 1.18   2.791% *  0.8496% (0.06   1.0  1.00   3.89  23.51) =   0.073%
        T QB    LYS+ 102 - QD    LYS+  38  12.59 +/- 3.57   1.124% *  0.1240% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   PRO   93 - QD    LYS+  65  15.38 +/- 2.48   0.158% *  0.5786% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QD    LYS+  65  13.92 +/- 6.93   1.063% *  0.0420% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  10.30 +/- 2.18   0.666% *  0.0657% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111  10.29 +/- 3.24   2.236% *  0.0143% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QD    LYS+  65  21.09 +/- 2.15   0.046% *  0.6790% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  16.62 +/- 1.63   0.099% *  0.2600% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  11.07 +/- 1.32   0.342% *  0.0475% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QD    LYS+  38  17.32 +/- 2.78   0.122% *  0.1265% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.47 +/- 1.64   0.209% *  0.0691% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.14 +/- 1.56   0.063% *  0.1715% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.08 +/- 2.19   0.047% *  0.1751% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.81 +/- 1.58   0.066% *  0.1061% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.33 +/- 1.90   0.552% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.29 +/- 1.40   0.045% *  0.1462% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.16 +/- 1.35   0.046% *  0.1040% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  24.61 +/- 2.75   0.032% *  0.1057% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.13 +/- 3.37   0.175% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  21.70 +/- 1.69   0.043% *  0.0398% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.42 +/- 3.33   0.225% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  16.52 +/- 4.13   0.200% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.05 +/- 2.33   0.055% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.01 +/- 1.79   0.049% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  23.82 +/- 4.10   0.047% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.79 +/- 4.56   0.075% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  14.38 +/- 2.85   0.228% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.84 +/- 2.98   0.064% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  20.00 +/- 2.34   0.058% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  23.67 +/- 4.04   0.045% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  19.70 +/- 2.28   0.059% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  21.74 +/- 1.83   0.045% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.70 +/- 1.93   0.058% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  28.49 +/- 3.73   0.023% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.34 +/- 3.72   0.023% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.85 +/- 1.85   0.054% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.941, support = 4.52, residual support = 142.8:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.44 +/- 0.10  43.800% * 54.0927% (1.00  10.0 10.00   4.55 159.15) =  83.222%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.34 +/- 1.63  10.788% * 39.2794% (0.73   1.0 10.00   4.28  30.19) =  14.884%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.75 +/- 0.30  12.834% *  2.3452% (0.04  10.0  1.00   5.18 314.61) =   1.057%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.56 +/- 0.40  15.686% *  1.4512% (0.03  10.0  1.00   5.18 314.61) =   0.800%  kept
        T HB2   LYS+  74 - QD    LYS+  65  10.09 +/- 2.52   1.038% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.016%
        T HD3   LYS+  74 - QD    LYS+  65   9.24 +/- 3.03   1.709% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   LYS+ 121 - QD    LYS+  65  16.58 +/- 2.09   0.170% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - QD    LYS+ 102  15.47 +/- 5.25   0.526% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - QD    LYS+  38  17.37 +/- 6.31   0.389% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+  38  16.25 +/- 3.68   0.336% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+  65  15.98 +/- 1.86   0.178% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  16.54 +/- 2.29   0.167% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  65  14.44 +/- 3.61   0.405% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.32 +/- 4.35   0.183% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.25 +/- 1.71   4.374% *  0.0034% (0.06   1.0  1.00   0.02   0.33) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  19.44 +/- 3.29   0.139% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  17.83 +/- 3.18   0.166% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  15.98 +/- 5.18   0.281% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  21.21 +/- 3.35   0.087% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.58 +/- 2.16   0.062% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  21.91 +/- 4.69   0.398% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  17.37 +/- 6.23   0.325% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  21.31 +/- 2.74   0.073% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  24.10 +/- 2.42   0.050% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  16.40 +/- 1.97   0.163% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.22 +/- 2.09   0.065% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.47 +/- 3.76   0.326% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.86 +/- 1.91   0.324% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.18 +/- 1.40   0.259% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.43 +/- 0.90   1.291% *  0.0022% (0.04   1.0  1.00   0.02   0.99) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  13.36 +/- 2.90   0.737% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  19.78 +/- 3.14   0.112% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.16 +/- 2.10   0.158% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.04 +/- 4.39   0.203% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  16.48 +/- 2.30   0.170% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  22.52 +/- 2.29   0.062% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  20.16 +/- 2.37   0.091% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  13.17 +/- 2.75   0.469% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  23.72 +/- 3.77   0.078% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.84 +/- 2.36   0.081% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  21.54 +/- 4.74   0.518% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  23.65 +/- 3.82   0.077% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  21.00 +/- 2.67   0.076% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  16.34 +/- 1.76   0.161% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.34 +/- 2.19   0.087% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.54 +/- 2.14   0.082% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.41 +/- 1.89   0.083% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.35 +/- 2.29   0.056% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.16 +/- 2.39   0.059% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  25.14 +/- 2.82   0.048% *  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 = 4.24, residual support = 159.1:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.03  87.854% * 97.0780% (1.00  10.0 10.00   4.24 159.15) =  99.991%  kept
        T QE    LYS+  33 - QD    LYS+  65  17.07 +/- 3.27   0.271% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+  38  10.14 +/- 1.63   1.211% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+ 102  15.18 +/- 2.38   0.339% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QD    LYS+  65  15.81 +/- 4.22   1.484% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  38   6.67 +/- 1.01   3.460% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  18.48 +/- 3.25   0.201% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.05 +/- 2.20   0.101% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  21.98 +/- 5.16   0.234% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.88 +/- 2.16   0.074% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  19.52 +/- 4.16   0.194% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.70 +/- 2.05   0.105% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.36 +/- 5.11   1.166% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  27.48 +/- 3.13   0.047% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  14.73 +/- 3.12   0.549% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  15.06 +/- 4.21   0.622% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.33 +/- 4.92   0.320% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  20.94 +/- 2.97   0.109% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  27.47 +/- 3.13   0.047% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  22.11 +/- 4.86   0.902% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  20.21 +/- 4.92   0.179% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.16 +/- 3.84   0.098% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.12 +/- 3.50   0.094% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  24.80 +/- 4.33   0.075% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.06 +/- 4.14   0.044% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  29.04 +/- 4.10   0.044% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  24.89 +/- 2.26   0.058% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.90 +/- 3.05   0.030% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  25.45 +/- 2.77   0.058% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  30.97 +/- 3.00   0.030% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.896, support = 4.82, residual support = 154.3:
    *   T HA    LYS+  65 - QE    LYS+  65   4.10 +/- 0.71  50.069% * 88.0388% (0.92 10.00   4.87 159.15) =  96.666%  kept
        T HA    GLN   32 - QE    LYS+  33   6.87 +/- 0.97  15.248% *  9.7024% (0.10 10.00   3.60  15.12) =   3.244%  kept
        T HA    LYS+ 121 - QE    LYS+  33  17.94 +/- 5.42   3.660% *  0.2776% (0.29 10.00   0.02   0.02) =   0.022%
        T HA    LYS+  65 - QE    LYS+  33  17.06 +/- 4.50   1.988% *  0.4526% (0.47 10.00   0.02   0.02) =   0.020%
        T HA    LYS+ 121 - QE    LYS+  65  17.62 +/- 1.75   0.834% *  0.5399% (0.57 10.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - QE    LYS+  65  16.29 +/- 7.00   3.707% *  0.0920% (0.97  1.00   0.02   0.02) =   0.007%
          QB    SER   48 - QE    LYS+  65  14.10 +/- 5.46   4.437% *  0.0729% (0.76  1.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - QE    LYS+  33  12.21 +/- 4.08   4.449% *  0.0473% (0.50  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - QE    LYS+  65  21.41 +/- 5.65   1.944% *  0.0920% (0.97  1.00   0.02   0.02) =   0.004%
          HA    ALA  120 - QE    LYS+  65  15.71 +/- 2.22   1.631% *  0.0902% (0.95  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QE    LYS+  65  20.49 +/- 3.32   0.610% *  0.1887% (0.20 10.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QE    LYS+  33  19.27 +/- 5.01   2.232% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QE    LYS+  65  15.42 +/- 3.71   1.785% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QE    LYS+  65  16.91 +/- 3.06   0.867% *  0.0617% (0.65  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  15.73 +/- 3.58   1.575% *  0.0325% (0.34  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  65  16.31 +/- 1.59   1.163% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QE    LYS+  33  22.53 +/- 4.31   0.613% *  0.0375% (0.39  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  24.89 +/- 5.21   0.374% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.96 +/- 2.51   0.482% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  19.54 +/- 3.41   1.032% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  23.90 +/- 5.36   0.694% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  29.02 +/- 2.81   0.178% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.66 +/- 2.89   0.209% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  28.41 +/- 4.67   0.219% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.983, support = 5.38, residual support = 154.2:
    *   T QB    LYS+  65 - QE    LYS+  65   3.12 +/- 0.59  57.805% * 88.2072% (1.00 10.00   5.43 159.15) =  96.202%  kept
          QB    LYS+  66 - QE    LYS+  65   5.94 +/- 1.36  18.544% * 10.7736% (0.57  1.00   4.31  30.19) =   3.770%  kept
        T QB    LYS+  65 - QE    LYS+  33  16.38 +/- 3.44   1.037% *  0.4534% (0.51 10.00   0.02   0.02) =   0.009%
          HB3   GLN   17 - QE    LYS+  65  13.91 +/- 7.30   6.925% *  0.0535% (0.61  1.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - QE    LYS+  33  10.03 +/- 3.82   6.453% *  0.0452% (0.51  1.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  65  14.10 +/- 1.83   0.895% *  0.0880% (1.00  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QE    LYS+  65  15.77 +/- 2.73   0.994% *  0.0737% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  14.04 +/- 2.09   1.069% *  0.0444% (0.50  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  33  12.19 +/- 2.85   1.399% *  0.0275% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  33  11.70 +/- 2.76   2.076% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  33  15.97 +/- 2.92   0.908% *  0.0257% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.63 +/- 2.00   0.243% *  0.0865% (0.98  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.20 +/- 1.48   0.473% *  0.0331% (0.38  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  15.60 +/- 2.00   0.676% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.75 +/- 3.34   0.196% *  0.0379% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  20.66 +/- 2.27   0.306% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 0.992, support = 4.54, residual support = 155.3:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.35 +/- 0.32  71.184% * 85.0698% (1.00  10.0 10.00   4.54 159.15) =  97.056%  kept
          QD    LYS+  66 - QE    LYS+  65   6.15 +/- 1.77  13.101% * 13.9629% (0.73   1.0  1.00   4.52  30.19) =   2.932%  kept
        T HG2   LYS+  65 - QE    LYS+  33  18.33 +/- 4.10   0.529% *  0.4373% (0.51   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QE    LYS+  33   7.31 +/- 1.38   3.446% *  0.0433% (0.51   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QE    LYS+  65  10.41 +/- 2.69   1.448% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QE    LYS+  65  14.41 +/- 3.88   1.006% *  0.0843% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QE    LYS+  65   9.61 +/- 3.17   3.305% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  65  17.34 +/- 1.72   0.239% *  0.0843% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  10.57 +/- 2.39   1.982% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  17.52 +/- 4.58   0.433% *  0.0433% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.95 +/- 3.09   0.476% *  0.0318% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  15.56 +/- 3.37   0.402% *  0.0365% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  17.50 +/- 5.00   0.669% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  14.85 +/- 1.24   0.344% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.71 +/- 1.51   0.272% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  14.26 +/- 2.72   0.499% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  20.83 +/- 2.21   0.153% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.68 +/- 2.01   0.190% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  17.95 +/- 3.45   0.247% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.22 +/- 2.81   0.075% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 159.1:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.03  89.171% * 96.2302% (1.00  10.0 10.00   4.24 159.15) =  99.983%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.14 +/- 1.63   1.230% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - QE    LYS+  65  18.48 +/- 3.25   0.204% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  33  17.07 +/- 3.27   0.275% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  33  15.18 +/- 2.38   0.344% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  65  18.92 +/- 5.28   0.940% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   8.61 +/- 2.46   3.293% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+  65   9.88 +/- 2.98   1.602% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  22.88 +/- 2.16   0.075% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.05 +/- 2.20   0.102% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  17.25 +/- 4.57   0.482% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.34 +/- 1.68   0.216% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.70 +/- 2.05   0.106% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  15.39 +/- 2.74   0.339% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  19.10 +/- 5.70   0.680% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  16.06 +/- 2.41   0.251% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  16.96 +/- 3.69   0.241% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  23.26 +/- 5.67   0.120% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  27.48 +/- 3.13   0.047% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  27.47 +/- 3.13   0.047% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.92 +/- 3.58   0.101% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.56 +/- 2.34   0.131% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.989, support = 5.08, residual support = 116.6:
    * O T QB    LYS+  66 - HA    LYS+  66   2.38 +/- 0.12  83.099% * 85.8137% (1.00  10.0 10.00   5.07 118.89) =  97.393%  kept
          QB    LYS+  65 - HA    LYS+  66   4.40 +/- 0.35  14.318% * 13.3179% (0.57   1.0  1.00   5.48  30.19) =   2.604%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.83 +/- 2.44   0.151% *  0.4858% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    LYS+  66  14.15 +/- 4.14   0.963% *  0.0486% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.77 +/- 1.84   0.685% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.62 +/- 1.60   0.278% *  0.0812% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  18.76 +/- 2.25   0.202% *  0.0770% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.58 +/- 2.98   0.159% *  0.0717% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  21.52 +/- 3.10   0.145% *  0.0589% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.971, support = 4.34, residual support = 112.3:
    * O T QG    LYS+  66 - HA    LYS+  66   2.48 +/- 0.43  75.029% * 64.6379% (1.00  10.0 10.00   4.34 118.89) =  93.743%  kept
        T HG    LEU   67 - HA    LYS+  66   6.12 +/- 0.76   9.369% * 24.2593% (0.38   1.0 10.00   4.54  13.85) =   4.393%  kept
          HB3   LEU   67 - HA    LYS+  66   5.57 +/- 0.75   8.947% * 10.7422% (0.95   1.0  1.00   3.51  13.85) =   1.858%  kept
          QB    ALA   61 - HA    LYS+  66   7.84 +/- 1.01   2.875% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+  66  14.81 +/- 1.63   0.571% *  0.0611% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+  66  16.55 +/- 5.53   0.710% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.06 +/- 0.93   0.674% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  15.70 +/- 2.00   0.515% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  21.63 +/- 4.56   0.354% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.98 +/- 1.96   0.283% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  25.23 +/- 3.24   0.123% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  20.97 +/- 4.41   0.550% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.983, support = 4.56, residual support = 113.4:
    *   T QD    LYS+  66 - HA    LYS+  66   3.13 +/- 0.66  65.005% * 85.4004% (1.00 10.00   4.57 118.89) =  93.781%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.32 +/- 1.04  26.962% * 13.6179% (0.73  1.00   4.39  30.19) =   6.202%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  16.58 +/- 3.83   0.946% *  0.6838% (0.80 10.00   0.02   0.02) =   0.011%
          HD3   LYS+  74 - HA    LYS+  66  11.92 +/- 3.80   2.901% *  0.0449% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LYS+  66  12.45 +/- 2.94   1.741% *  0.0321% (0.38  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  16.08 +/- 3.52   0.863% *  0.0587% (0.69  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  66  16.64 +/- 3.28   0.857% *  0.0552% (0.65  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  66  20.26 +/- 3.31   0.470% *  0.0587% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  21.02 +/- 1.61   0.254% *  0.0483% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 118.9:
    *   T QE    LYS+  66 - HA    LYS+  66   4.01 +/- 0.50  89.462% * 99.6609% (1.00 10.00   4.39 118.89) =  99.989%  kept
        T HB2   ASP-  76 - HA    LYS+  66  17.08 +/- 3.88   3.019% *  0.2219% (0.22 10.00   0.02   0.02) =   0.008%
          HB2   ASN   69 - HA    LYS+  66  10.16 +/- 0.85   6.589% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - HA    LYS+  66  21.38 +/- 2.88   0.930% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 118.9:
    * O T HA    LYS+  66 - QB    LYS+  66   2.38 +/- 0.12  97.740% * 99.9488% (1.00  10.0 10.00   5.07 118.89) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  13.92 +/- 7.08   1.413% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  21.17 +/- 4.44   0.613% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  19.25 +/- 2.76   0.234% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.983, support = 4.43, residual support = 114.9:
    * O T QG    LYS+  66 - QB    LYS+  66   2.08 +/- 0.03  81.926% * 64.3829% (1.00  10.0 10.00   4.44 118.89) =  96.232%  kept
        T HG    LEU   67 - QB    LYS+  66   5.75 +/- 0.95   5.741% * 24.1636% (0.38   1.0 10.00   4.46  13.85) =   2.531%  kept
          HB3   LEU   67 - QB    LYS+  66   5.21 +/- 0.60   6.373% * 10.5918% (0.95   1.0  1.00   3.48  13.85) =   1.232%  kept
          QB    ALA   61 - QB    LYS+  66   6.77 +/- 1.03   3.078% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 102 - QB    LYS+  66  21.83 +/- 2.99   0.087% *  0.5585% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  13.46 +/- 1.77   0.442% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  14.88 +/- 4.45   0.614% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  11.14 +/- 0.89   0.565% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  12.71 +/- 2.54   0.505% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  15.19 +/- 2.33   0.252% *  0.0391% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  19.50 +/- 3.72   0.178% *  0.0416% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.93 +/- 3.46   0.238% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.65, residual support = 112.6:
    * O T QD    LYS+  66 - QB    LYS+  66   2.21 +/- 0.21  85.487% * 57.5492% (1.00  10.0 10.00   4.67 118.89) =  92.905%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.31 +/- 1.05   8.977% * 41.7893% (0.73   1.0 10.00   4.41  30.19) =   7.085%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  13.33 +/- 3.82   0.848% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HD3   LYS+  74 - QB    LYS+  66  11.00 +/- 3.13   1.872% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  12.76 +/- 3.55   0.893% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  11.40 +/- 2.65   1.035% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  14.96 +/- 2.70   0.382% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  17.17 +/- 3.03   0.290% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  17.59 +/- 2.20   0.215% *  0.0326% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 118.9:
    *   T QE    LYS+  66 - QB    LYS+  66   3.03 +/- 0.59  90.964% * 99.6609% (1.00 10.00   4.44 118.89) =  99.991%  kept
        T HB2   ASP-  76 - QB    LYS+  66  15.52 +/- 3.21   2.545% *  0.2219% (0.22 10.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - QB    LYS+  66   8.78 +/- 1.15   5.817% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - QB    LYS+  66  18.88 +/- 2.81   0.674% *  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 = 0.991, support = 4.34, residual support = 117.9:
    * O T HA    LYS+  66 - QG    LYS+  66   2.48 +/- 0.43  77.475% * 92.8046% (1.00  10.0 10.00   4.34 118.89) =  99.028%  kept
        T HA    LYS+  66 - HG    LEU   67   6.12 +/- 0.76   9.875% *  7.1442% (0.08   1.0 10.00   4.54  13.85) =   0.972%  kept
          HA1   GLY   16 - QG    LYS+  66  14.59 +/- 7.21   1.884% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  13.46 +/- 9.83   9.430% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  21.94 +/- 4.21   0.546% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  20.00 +/- 2.69   0.217% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.15 +/- 3.43   0.340% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  21.71 +/- 3.69   0.232% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.982, support = 4.48, residual support = 115.6:
    * O T QB    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  72.327% * 79.2888% (1.00  10.0 10.00   4.44 118.89) =  96.402%  kept
          QB    LYS+  65 - QG    LYS+  66   4.34 +/- 0.98  14.116% * 12.9201% (0.57   1.0  1.00   5.76  30.19) =   3.066%  kept
        T QB    LYS+  66 - HG    LEU   67   5.75 +/- 0.95   5.122% *  6.1037% (0.08   1.0 10.00   4.46  13.85) =   0.526%  kept
        T HB    VAL   41 - QG    LYS+  66  15.40 +/- 1.75   0.208% *  0.7500% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - QG    LYS+  66  19.47 +/- 3.11   0.116% *  0.5446% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG    LYS+  66  11.43 +/- 3.97   1.327% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  12.33 +/- 2.22   0.492% *  0.0577% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  12.30 +/- 1.61   0.425% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.74 +/- 2.17   0.161% *  0.0711% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.73 +/- 3.21   0.146% *  0.0662% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   8.53 +/- 2.15   2.607% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  17.75 +/- 3.66   0.196% *  0.0419% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.68 +/- 0.81   1.616% *  0.0035% (0.04   1.0  1.00   0.02   0.14) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.31 +/- 1.70   0.114% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  14.84 +/- 3.82   0.500% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.59 +/- 3.60   0.263% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  17.99 +/- 2.79   0.169% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  21.11 +/- 3.35   0.094% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.977, support = 4.36, residual support = 114.2:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  58.362% * 79.6148% (1.00  10.0 10.00   4.36 118.89) =  94.942%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.18 +/- 1.76  13.698% * 13.2455% (0.73   1.0  1.00   4.58  30.19) =   3.707%  kept
        T QD    LYS+  66 - HG    LEU   67   6.90 +/- 1.87  10.690% *  6.1288% (0.08   1.0 10.00   3.90  13.85) =   1.339%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  14.13 +/- 3.67   0.379% *  0.6375% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+  74 - HG    LEU   67  10.20 +/- 3.63   8.343% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QG    LYS+  66  11.70 +/- 2.83   0.588% *  0.0419% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QG    LYS+  66  13.58 +/- 3.50   0.440% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  14.84 +/- 4.03   0.347% *  0.0491% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  10.70 +/- 4.03   4.400% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  12.20 +/- 2.35   0.421% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  15.59 +/- 2.93   0.200% *  0.0515% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  18.13 +/- 3.64   0.168% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  18.21 +/- 2.17   0.100% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.98 +/- 1.01   0.897% *  0.0045% (0.06   1.0  1.00   0.02   0.14) =   0.000%
          HG    LEU  104 - HG    LEU   67  16.46 +/- 3.97   0.305% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  14.51 +/- 3.43   0.288% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.61 +/- 3.04   0.298% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.51 +/- 2.42   0.079% *  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 = 0.987, support = 3.87, residual support = 117.4:
    * O T QE    LYS+  66 - QG    LYS+  66   2.17 +/- 0.13  79.590% * 92.5373% (1.00  10.0 10.00   3.87 118.89) =  98.555%  kept
        T QE    LYS+  66 - HG    LEU   67   8.04 +/- 1.98  15.135% *  7.1236% (0.08   1.0 10.00   3.66  13.85) =   1.443%  kept
        T HB2   ASP-  76 - QG    LYS+  66  16.29 +/- 2.86   0.366% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.66 +/- 1.11   1.206% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  19.67 +/- 2.85   0.133% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.53 +/- 1.19   2.940% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.33 +/- 3.17   0.397% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  17.98 +/- 3.23   0.234% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 118.9:
    *   T HA    LYS+  66 - QD    LYS+  66   3.13 +/- 0.66  91.112% * 99.8184% (1.00 10.00   4.57 118.89) =  99.997%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  16.58 +/- 3.83   1.336% *  0.1241% (0.12 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QD    LYS+  66  14.68 +/- 7.34   3.507% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD    LYS+  66  22.54 +/- 4.69   1.398% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  20.19 +/- 3.01   0.559% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.22 +/- 5.21   1.190% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  20.91 +/- 6.31   0.691% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.57 +/- 3.34   0.207% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.958, support = 4.75, residual support = 110.3:
    * O T QB    LYS+  66 - QD    LYS+  66   2.21 +/- 0.21  71.783% * 63.5425% (1.00  10.0 10.00   4.67 118.89) =  90.306%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.26 +/- 1.09  13.603% * 35.9749% (0.57   1.0 10.00   5.50  30.19) =   9.689%  kept
          HG    LEU  123 - QD    LYS+  66  11.70 +/- 4.31   1.764% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  66 - HD2   LYS+ 121  13.33 +/- 3.82   0.708% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   LYS+ 121  13.60 +/- 5.70   5.557% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  66  12.83 +/- 1.86   0.731% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.03 +/- 1.85   0.227% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  15.08 +/- 1.72   0.270% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.59 +/- 2.65   0.197% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  19.34 +/- 3.40   0.189% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  13.96 +/- 5.31   1.309% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  19.92 +/- 3.17   0.146% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.83 +/- 1.05   1.337% *  0.0045% (0.07   1.0  1.00   0.02   2.28) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  13.91 +/- 5.28   0.671% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.18 +/- 1.92   0.132% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  14.25 +/- 5.08   1.104% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.56 +/- 1.29   0.156% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  21.85 +/- 2.13   0.112% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.961, support = 4.33, residual support = 111.9:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  74.014% * 65.8685% (1.00  10.0 10.00   4.36 118.89) =  93.365%  kept
        T HG    LEU   67 - QD    LYS+  66   6.90 +/- 1.87  13.038% * 24.7212% (0.38   1.0 10.00   3.90  13.85) =   6.172%  kept
          HB3   LEU   67 - QD    LYS+  66   6.75 +/- 0.96   2.702% *  8.8052% (0.95   1.0  1.00   2.83  13.85) =   0.456%  kept
          QB    ALA   61 - QD    LYS+  66   7.69 +/- 1.61   2.520% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HD2   LYS+ 121  12.08 +/- 5.13   1.721% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HD2   LYS+ 121  14.13 +/- 3.67   0.468% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  10.54 +/- 1.54   0.710% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    LYS+  66  14.93 +/- 2.21   0.349% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  16.04 +/- 4.91   0.396% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  14.84 +/- 4.03   0.428% *  0.0307% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.61 +/- 1.46   0.380% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  14.25 +/- 2.85   0.320% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  16.42 +/- 2.67   0.194% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  20.87 +/- 3.61   0.119% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  23.35 +/- 3.56   0.068% *  0.0571% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  14.64 +/- 4.16   0.478% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  17.11 +/- 5.68   0.334% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  18.02 +/- 5.67   0.536% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  16.55 +/- 4.66   0.297% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.56 +/- 1.17   0.307% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  20.26 +/- 3.51   0.160% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.86 +/- 1.87   0.329% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.19 +/- 5.72   0.072% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.93 +/- 4.52   0.061% *  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 = 3.92, residual support = 118.9:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  95.531% * 99.4957% (1.00  10.0 10.00   3.92 118.89) =  99.996%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  14.90 +/- 4.29   1.155% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  76 - QD    LYS+  66  16.71 +/- 3.45   0.627% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66   9.93 +/- 1.40   1.131% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  19.98 +/- 3.12   0.143% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.24 +/- 5.20   1.103% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  19.84 +/- 6.35   0.233% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  22.89 +/- 1.83   0.078% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 118.9:
    *   T HA    LYS+  66 - QE    LYS+  66   4.01 +/- 0.50  76.156% * 99.7309% (1.00 10.00   4.39 118.89) =  99.991%  kept
        T HA    LYS+  66 - HB2   ASP-  76  17.08 +/- 3.88   2.504% *  0.2073% (0.21 10.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - QE    LYS+  66  15.42 +/- 6.80   3.719% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.68 +/- 0.97   8.923% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  20.94 +/- 2.88   0.912% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  23.11 +/- 4.76   1.200% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  22.33 +/- 9.23   6.276% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  26.18 +/- 1.90   0.310% *  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 = 0.982, support = 4.46, residual support = 115.3:
    *   T QB    LYS+  66 - QE    LYS+  66   3.03 +/- 0.59  60.233% * 87.3328% (1.00 10.00   4.44 118.89) =  95.966%  kept
          QB    LYS+  65 - QE    LYS+  66   5.57 +/- 1.09  18.432% * 11.9454% (0.57  1.00   4.83  30.19) =   4.017%  kept
        T QB    LYS+  66 - HB2   ASP-  76  15.52 +/- 3.21   1.733% *  0.1816% (0.21 10.00   0.02   0.02) =   0.006%
          HG    LEU  123 - QE    LYS+  66  11.69 +/- 4.44   5.468% *  0.0494% (0.57  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HB2   ASP-  76  13.64 +/- 3.10   7.183% *  0.0103% (0.12  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  66  16.78 +/- 2.09   0.611% *  0.0826% (0.95  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  66  19.97 +/- 3.69   0.629% *  0.0729% (0.84  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  13.71 +/- 1.74   0.862% *  0.0459% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QE    LYS+  66  17.86 +/- 2.58   0.387% *  0.0783% (0.90  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB2   ASP-  76  13.56 +/- 3.57   1.441% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  20.53 +/- 3.40   0.386% *  0.0600% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.32 +/- 2.02   0.299% *  0.0494% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  16.68 +/- 2.17   0.553% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.09 +/- 4.21   0.594% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  19.68 +/- 2.90   0.325% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.11 +/- 1.23   0.451% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  21.70 +/- 2.38   0.214% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  23.96 +/- 2.76   0.200% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 0.958, support = 3.85, residual support = 111.5:
    * O T QG    LYS+  66 - QE    LYS+  66   2.17 +/- 0.13  67.871% * 65.3815% (1.00  10.0 10.00   3.87 118.89) =  92.989%  kept
        T HG    LEU   67 - QE    LYS+  66   8.04 +/- 1.98  12.936% * 24.5384% (0.38   1.0 10.00   3.66  13.85) =   6.652%  kept
          HB3   LEU   67 - QE    LYS+  66   7.78 +/- 0.93   1.779% *  9.4398% (0.95   1.0  1.00   3.05  13.85) =   0.352%  kept
          QB    ALA   61 - QE    LYS+  66   7.90 +/- 1.62   2.264% *  0.0546% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - HB2   ASP-  76  16.29 +/- 2.86   0.312% *  0.1359% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   7.92 +/- 1.96   4.688% *  0.0088% (0.13   1.0  1.00   0.02   1.23) =   0.001%
          QB    ALA   61 - HB2   ASP-  76  11.67 +/- 2.81   2.382% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  15.33 +/- 3.17   0.339% *  0.0510% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  15.68 +/- 2.15   0.237% *  0.0618% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  14.46 +/- 3.23   0.342% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.38 +/- 1.36   0.317% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  16.83 +/- 4.33   0.266% *  0.0344% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.82 +/- 2.08   0.634% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.65 +/- 1.19   3.380% *  0.0024% (0.04   1.0  1.00   0.02   1.23) =   0.000%
          QB    ALA  110 - QE    LYS+  66  16.57 +/- 2.68   0.190% *  0.0397% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  16.76 +/- 7.64   0.678% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  21.46 +/- 3.63   0.110% *  0.0423% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  24.05 +/- 3.64   0.070% *  0.0567% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  14.85 +/- 2.30   0.281% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.45 +/- 3.05   0.416% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  20.86 +/- 3.65   0.151% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.59 +/- 2.38   0.174% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  18.30 +/- 1.49   0.132% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  25.22 +/- 2.93   0.051% *  0.0118% (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 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.93, residual support = 117.7:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  80.721% * 85.5860% (1.00  10.0 10.00   3.92 118.89) =  98.717%  kept
          HG2   LYS+  65 - QE    LYS+  66   6.47 +/- 1.79   6.811% * 13.0347% (0.73   1.0  1.00   4.19  30.19) =   1.269%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  14.90 +/- 4.29   0.977% *  0.6853% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  66 - HB2   ASP-  76  16.71 +/- 3.45   0.532% *  0.1779% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QE    LYS+  66  12.99 +/- 2.95   0.951% *  0.0450% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QE    LYS+  66  14.37 +/- 3.82   0.550% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.17 +/- 1.31   3.074% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  15.24 +/- 4.03   2.002% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  19.32 +/- 3.79   0.434% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  13.58 +/- 2.53   0.510% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  16.62 +/- 2.94   0.229% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.04 +/- 1.23   1.781% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  22.89 +/- 1.83   0.066% *  0.1425% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  19.09 +/- 2.90   0.137% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  14.37 +/- 5.53   0.560% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  20.18 +/- 3.95   0.514% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  22.42 +/- 2.54   0.080% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  22.35 +/- 2.12   0.072% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.2:
    * O T HB2   PRO   68 - HA    PRO   68   2.60 +/- 0.20  96.459% * 98.6006% (0.84  10.0 10.00   2.00  36.16) =  99.990%  kept
        T HB    VAL   24 - HA    PRO   68  20.49 +/- 4.85   0.536% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.007%
          QB    GLN   32 - HA    PRO   68  17.10 +/- 4.19   2.382% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLU- 100 - HA    PRO   68  18.12 +/- 4.17   0.623% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.2:
    * O T HA    PRO   68 - HB2   PRO   68   2.60 +/- 0.20  99.447% * 99.1920% (0.84  10.0 10.00   2.00  36.16) =  99.995%  kept
        T HA    PRO   68 - HB    VAL   24  20.49 +/- 4.85   0.553% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.1:
    * O T HB2   ASN   69 - HA    ASN   69   2.62 +/- 0.13  80.637% * 99.7955% (1.00  10.0 10.00   3.31  59.15) =  99.996%  kept
          QE    LYS+  33 - HA    ASN   69  12.75 +/- 4.58  17.513% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  66 - HA    ASN   69  10.68 +/- 1.01   1.337% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  19.04 +/- 3.46   0.332% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  22.48 +/- 3.48   0.182% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 59.1:
    * O T HB3   ASN   69 - HA    ASN   69   2.75 +/- 0.32  95.260% * 99.7714% (1.00  10.0 10.00   2.99  59.15) =  99.996%  kept
          HB2   PHE   72 - HA    ASN   69   9.94 +/- 1.11   2.333% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASN   69  12.82 +/- 2.82   2.076% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    CYS   50 - HA    ASN   69  19.75 +/- 3.37   0.332% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.1:
    * O T HA    ASN   69 - HB2   ASN   69   2.62 +/- 0.13  95.702% * 99.8126% (1.00  10.0 10.00   3.31  59.15) =  99.996%  kept
          HA    VAL   43 - HB2   ASN   69  13.57 +/- 2.46   4.097% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HA    HIS   22 - HB2   ASN   69  21.68 +/- 2.57   0.201% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.2:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.214% * 99.7714% (1.00  10.0 10.00   3.97  59.15) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.36 +/- 1.04   0.411% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.24 +/- 2.58   0.289% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  20.67 +/- 3.41   0.086% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 59.1:
    * O T HA    ASN   69 - HB3   ASN   69   2.75 +/- 0.32  96.394% * 99.8126% (1.00  10.0 10.00   2.99  59.15) =  99.997%  kept
          HA    VAL   43 - HB3   ASN   69  13.22 +/- 2.44   3.325% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HA    HIS   22 - HB3   ASN   69  21.34 +/- 2.53   0.281% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.2:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  97.021% * 99.7955% (1.00  10.0 10.00   3.97  59.15) =  99.999%  kept
          QE    LYS+  33 - HB3   ASN   69  13.30 +/- 4.22   2.378% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   ASN   69  10.92 +/- 1.33   0.467% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  20.34 +/- 2.97   0.084% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  23.65 +/- 3.16   0.051% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 79.4:
    * O T HB    VAL   70 - HA    VAL   70   2.93 +/- 0.22  71.308% * 97.2460% (1.00  10.0 10.00   4.31  79.45) =  99.950%  kept
        T QG    GLN   17 - HA    VAL   70  11.87 +/- 5.19   2.524% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.035%
          HB2   MET   96 - HA    VAL   70  11.37 +/- 2.49   2.881% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HA    VAL   70  12.69 +/- 3.49   5.311% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB2   SER   82  24.86 +/- 8.53   0.321% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HA    SER   48  18.37 +/- 3.64   0.501% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   SER   82  23.14 +/- 3.32   0.189% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HA    SER   48  22.38 +/- 6.32   0.321% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  22.47 +/-11.06   1.185% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48  11.28 +/- 5.75   9.503% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70  11.00 +/- 1.61   1.877% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    VAL   70  19.60 +/- 2.55   0.297% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.90 +/- 4.30   0.725% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.51 +/- 1.87   1.385% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  16.91 +/- 1.38   0.403% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  16.27 +/- 1.96   0.521% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  24.67 +/- 6.40   0.319% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  27.58 +/- 5.49   0.136% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  29.14 +/- 4.40   0.088% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  27.90 +/- 3.50   0.110% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  29.00 +/- 3.55   0.095% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 4.8, residual support = 76.2:
    * O T QG1   VAL   70 - HA    VAL   70   2.52 +/- 0.29  66.526% * 78.3465% (1.00  10.0 10.00   4.76  79.45) =  92.866%  kept
          QD1   LEU   71 - HA    VAL   70   4.60 +/- 1.00  20.596% * 19.2993% (0.92   1.0  1.00   5.34  34.22) =   7.082%  kept
        T QG1   VAL   18 - HA    VAL   70  10.51 +/- 4.71   2.745% *  0.7680% (0.98   1.0 10.00   0.02   0.02) =   0.038%
          HB3   LEU   63 - HA    VAL   70   7.58 +/- 2.11   4.485% *  0.0444% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HA    VAL   70  11.27 +/- 4.01   2.018% *  0.0723% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   18 - HB2   SER   82  19.87 +/- 8.39   0.384% *  0.3721% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   18 - HA    SER   48  17.11 +/- 6.35   0.611% *  0.1750% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HB2   SER   82  20.33 +/- 2.96   0.179% *  0.3797% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HA    SER   48  16.28 +/- 2.76   0.350% *  0.1785% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  123 - HA    SER   48  19.83 +/- 3.45   0.195% *  0.1648% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  13.31 +/- 2.04   0.566% *  0.0475% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  20.17 +/- 2.37   0.175% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  16.51 +/- 4.21   0.448% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  26.04 +/- 5.64   0.181% *  0.0230% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  25.22 +/- 4.18   0.099% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  22.88 +/- 4.33   0.151% *  0.0215% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.65 +/- 2.88   0.187% *  0.0165% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  24.38 +/- 3.76   0.103% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 79.4:
    * O T QG2   VAL   70 - HA    VAL   70   2.34 +/- 0.22  99.194% * 99.2926% (0.80  10.0 10.00   4.00  79.45) =  99.998%  kept
        T QG2   VAL   70 - HA    SER   48  15.47 +/- 2.68   0.579% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HB2   SER   82  18.97 +/- 2.82   0.227% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.31, residual support = 79.2:
    * O T HA    VAL   70 - HB    VAL   70   2.93 +/- 0.22  54.839% * 95.1910% (1.00  10.0 10.00   4.31  79.45) =  99.156%  kept
          HA    VAL   18 - QG    GLN   17   5.04 +/- 0.71  13.468% *  2.7294% (0.13   1.0  1.00   4.49  50.48) =   0.698%  kept
          HA1   GLY   16 - QG    GLN   17   5.08 +/- 0.62  12.798% *  0.5048% (0.04   1.0  1.00   2.89  17.49) =   0.123%  kept
        T HA    VAL   70 - QG    GLN   17  11.87 +/- 5.19   1.908% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL   18 - HB    VAL   70  11.26 +/- 6.68   4.112% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - HB    VAL   70  13.31 +/- 2.88   0.967% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HB    VAL   70  18.37 +/- 3.64   0.385% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - HB    VAL   70  23.14 +/- 3.32   0.144% *  0.5774% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB    VAL   70  15.14 +/- 3.02   0.814% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70  12.79 +/- 7.81   3.478% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  12.11 +/- 1.76   1.126% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  16.43 +/- 3.11   0.642% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG    GLN   17  24.86 +/- 8.53   0.248% *  0.1072% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG    GLN   17  13.40 +/- 3.28   1.817% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  14.07 +/- 4.58   1.771% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  13.93 +/- 2.10   0.837% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  22.38 +/- 6.32   0.241% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.18 +/- 4.27   0.406% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 5.18, residual support = 78.7:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.02  61.281% * 77.2194% (1.00  10.0 10.00   5.18  79.45) =  98.255%  kept
          QD1   LEU   71 - HB    VAL   70   6.39 +/- 0.86   2.901% * 19.2362% (0.92   1.0  1.00   5.40  34.22) =   1.159%  kept
          QG1   VAL   18 - QG    GLN   17   5.47 +/- 0.89   8.649% *  3.1202% (0.18   1.0  1.00   4.44  50.48) =   0.560%  kept
          HB3   LEU   63 - HB    VAL   70   5.12 +/- 2.15  18.162% *  0.0437% (0.57   1.0  1.00   0.02   0.02) =   0.016%
        T QG1   VAL   70 - QG    GLN   17  10.31 +/- 4.06   1.178% *  0.1434% (0.19   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HB    VAL   70   9.93 +/- 5.48   1.998% *  0.0757% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HB    VAL   70  10.42 +/- 3.37   1.114% *  0.0713% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QG    GLN   17  10.26 +/- 4.95   2.788% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  14.04 +/- 2.54   0.322% *  0.0468% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  12.95 +/- 3.64   0.868% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  12.63 +/- 4.90   0.579% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.73 +/- 2.96   0.161% *  0.0087% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 79.4:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  97.909% * 99.8146% (0.80  10.0 10.00   4.31  79.45) =  99.996%  kept
        T QG2   VAL   70 - QG    GLN   17  10.04 +/- 4.12   2.091% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.76, residual support = 79.4:
    * O T HA    VAL   70 - QG1   VAL   70   2.52 +/- 0.29  82.326% * 98.1637% (1.00  10.0 10.00   4.76  79.45) =  99.949%  kept
        T HA    VAL   18 - QG1   VAL   70  10.31 +/- 4.60   4.900% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.041%
          HA    GLN  116 - QG1   VAL   70  11.15 +/- 2.88   1.703% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG1   VAL   70  20.33 +/- 2.96   0.223% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70  10.85 +/- 5.86   6.056% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG1   VAL   70   9.73 +/- 2.23   2.424% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  12.66 +/- 3.01   1.259% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG1   VAL   70  16.28 +/- 2.76   0.425% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  14.16 +/- 2.85   0.684% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 79.4:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.02  84.869% * 98.7774% (1.00  10.0 10.00   5.18  79.45) =  99.974%  kept
        T QG    GLN   17 - QG1   VAL   70  10.31 +/- 4.06   1.735% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.020%
          HG2   GLU- 100 - QG1   VAL   70  11.63 +/- 3.50   9.315% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   MET   96 - QG1   VAL   70   9.89 +/- 1.99   1.508% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - QG1   VAL   70  10.54 +/- 2.27   1.918% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.48 +/- 2.68   0.222% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  14.13 +/- 1.70   0.433% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.76, residual support = 79.4:
    * O T QG2   VAL   70 - QG1   VAL   70   2.03 +/- 0.07 100.000% *100.0000% (0.80  10.0 10.00   4.76  79.45) = 100.000%  kept
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 79.3:
    * O T HA    VAL   70 - QG2   VAL   70   2.34 +/- 0.22  77.123% * 97.5554% (0.80  10.0 10.00   4.00  79.45) =  99.774%  kept
          HA    VAL   18 - QG2   VAL   70   9.16 +/- 5.07  12.613% *  1.2899% (0.55   1.0  1.00   0.38   0.02) =   0.216%  kept
          HA    GLN  116 - QG2   VAL   70  10.80 +/- 2.93   2.107% *  0.0976% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HA    SER   48 - QG2   VAL   70  15.47 +/- 2.68   0.455% *  0.2433% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   70  11.73 +/- 2.44   1.254% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG2   VAL   70  18.97 +/- 2.82   0.176% *  0.5917% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG2   VAL   70   9.39 +/- 1.63   1.824% *  0.0475% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  12.68 +/- 2.49   1.010% *  0.0708% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70  10.82 +/- 5.66   3.438% *  0.0193% (0.16   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 79.4:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  89.114% * 98.7774% (0.80  10.0 10.00   4.31  79.45) =  99.973%  kept
        T QG    GLN   17 - QG2   VAL   70  10.04 +/- 4.12   1.905% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.021%
          HB2   MET   96 - QG2   VAL   70   8.17 +/- 2.02   4.719% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HG2   GLU- 100 - QG2   VAL   70  11.02 +/- 2.64   2.460% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QG2   VAL   70  15.84 +/- 2.29   0.263% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.32 +/- 1.56   1.093% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  12.83 +/- 0.97   0.446% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 4.78, residual support = 78.3:
    * O T QG1   VAL   70 - QG2   VAL   70   2.03 +/- 0.07  64.849% * 77.7637% (0.80  10.0 10.00   4.76  79.45) =  97.504%  kept
          QD1   LEU   71 - QG2   VAL   70   4.78 +/- 0.64   5.945% * 20.6238% (0.74   1.0  1.00   5.75  34.22) =   2.371%  kept
          QG1   VAL   18 - QG2   VAL   70   8.05 +/- 4.21   3.611% *  1.4495% (0.78   1.0  1.00   0.38   0.02) =   0.101%  kept
          HB3   LEU   63 - QG2   VAL   70   4.62 +/- 1.77  21.722% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.018%
          QD1   LEU  123 - QG2   VAL   70   8.64 +/- 3.16   3.211% *  0.0718% (0.74   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU  104 - QG2   VAL   70  10.50 +/- 1.73   0.661% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 138.8:
    * O T HB2   LEU   71 - HA    LEU   71   2.75 +/- 0.27  83.445% * 99.5520% (1.00  10.0 10.00   5.31 138.77) =  99.988%  kept
          HB3   GLN   17 - HA    LEU   71  12.06 +/- 7.25   5.093% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HA    LEU   71  10.40 +/- 1.64   2.422% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    LEU   71   8.64 +/- 2.12   4.510% *  0.0340% (0.34   1.0  1.00   0.02   3.03) =   0.002%
          QB    LYS+  66 - HA    LEU   71   9.81 +/- 1.13   2.311% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LEU   71  14.91 +/- 2.37   0.750% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  17.83 +/- 3.29   0.497% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  13.46 +/- 2.58   0.970% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.8:
    * O T HB3   LEU   71 - HA    LEU   71   2.39 +/- 0.19  97.697% * 99.6783% (1.00  10.0 10.00   4.31 138.77) =  99.998%  kept
          QG2   THR   94 - HA    LEU   71  12.57 +/- 2.26   1.095% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    LEU   71  19.42 +/- 4.83   0.434% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  19.31 +/- 3.73   0.300% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  21.44 +/- 4.12   0.285% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  21.96 +/- 3.90   0.189% *  0.0447% (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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 4.13, residual support = 131.2:
    *   T QD1   LEU   71 - HA    LEU   71   3.80 +/- 0.29  54.629% * 81.8212% (1.00 10.00   4.08 138.77) =  92.797%  kept
          QG1   VAL   70 - HA    LEU   71   5.49 +/- 0.30  19.260% * 17.9324% (0.92  1.00   4.75  34.22) =   7.170%  kept
          QG1   VAL   18 - HA    LEU   71   9.25 +/- 6.08  14.975% *  0.0683% (0.84  1.00   0.02   0.02) =   0.021%
          QD1   LEU  123 - HA    LEU   71  12.72 +/- 3.07   2.681% *  0.0818% (1.00  1.00   0.02   0.02) =   0.005%
          HB3   LEU   63 - HA    LEU   71   8.62 +/- 1.58   6.767% *  0.0279% (0.34  1.00   0.02   0.02) =   0.004%
          HB3   LEU  104 - HA    LEU   71  14.48 +/- 2.71   1.687% *  0.0683% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 4.94, residual support = 136.9:
    *   T QD2   LEU   71 - HA    LEU   71   2.73 +/- 0.60  48.238% * 93.4416% (1.00 10.00   5.00 138.77) =  98.642%  kept
          QD1   LEU   67 - HA    LEU   71   5.20 +/- 2.08  25.275% *  1.6732% (0.45  1.00   0.80   0.02) =   0.926%  kept
          HG3   LYS+  74 - HA    LEU   71  10.73 +/- 2.12   2.676% *  4.2041% (0.69  1.00   1.31   1.18) =   0.246%  kept
          QD2   LEU   40 - HA    LEU   71   5.50 +/- 1.66  17.636% *  0.4555% (0.41  1.00   0.24   1.96) =   0.176%  kept
          QG2   ILE  119 - HA    LEU   71  12.30 +/- 3.20   3.089% *  0.0811% (0.87  1.00   0.02   0.02) =   0.005%
          QD1   ILE  103 - HA    LEU   71  11.82 +/- 2.62   1.747% *  0.0916% (0.98  1.00   0.02   0.02) =   0.004%
          QG2   ILE  103 - HA    LEU   71  11.85 +/- 2.42   1.339% *  0.0529% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 5.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.8:
    * O T HA    LEU   71 - HB2   LEU   71   2.75 +/- 0.27  93.210% * 99.9402% (1.00  10.0 10.00   5.31 138.77) =  99.998%  kept
          HA    VAL   43 - HB2   LEU   71   9.39 +/- 2.12   5.215% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB2   LEU   71  13.36 +/- 3.85   1.575% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.8:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.205% * 99.6783% (1.00  10.0 10.00   4.97 138.77) =  99.999%  kept
          QG2   THR   94 - HB2   LEU   71  13.00 +/- 2.82   0.435% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  20.68 +/- 4.97   0.114% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  20.51 +/- 3.84   0.092% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  22.43 +/- 4.46   0.086% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  22.66 +/- 4.23   0.069% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.98, residual support = 137.4:
    * O T QD1   LEU   71 - HB2   LEU   71   2.31 +/- 0.19  85.973% * 80.0431% (1.00  10.0 10.00   4.97 138.77) =  98.710%  kept
          QG1   VAL   70 - HB2   LEU   71   6.34 +/- 0.48   4.532% * 19.7158% (0.92   1.0  1.00   5.34  34.22) =   1.282%  kept
          QG1   VAL   18 - HB2   LEU   71  10.14 +/- 5.31   6.533% *  0.0669% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU  123 - HB2   LEU   71  13.26 +/- 3.52   0.797% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU   71  13.55 +/- 3.58   0.895% *  0.0669% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU   71  10.33 +/- 1.51   1.270% *  0.0273% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 5.38, residual support = 137.4:
    * O T QD2   LEU   71 - HB2   LEU   71   3.00 +/- 0.34  53.357% * 96.7408% (1.00  10.0 10.00   5.43 138.77) =  99.010%  kept
          QD2   LEU   40 - HB2   LEU   71   4.98 +/- 1.74  25.452% *  1.2269% (0.41   1.0  1.00   0.62   1.96) =   0.599%  kept
          QD1   LEU   67 - HB2   LEU   71   6.93 +/- 1.69  11.348% *  1.7323% (0.45   1.0  1.00   0.80   0.02) =   0.377%  kept
          QD1   ILE  103 - HB2   LEU   71  11.22 +/- 3.40   3.918% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          QG2   ILE  103 - HB2   LEU   71  11.23 +/- 3.32   4.059% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QG2   ILE  119 - HB2   LEU   71  13.13 +/- 3.49   1.081% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB2   LEU   71  12.75 +/- 1.88   0.785% *  0.0665% (0.69   1.0  1.00   0.02   1.18) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.8:
    * O T HA    LEU   71 - HB3   LEU   71   2.39 +/- 0.19  95.783% * 99.9402% (1.00  10.0 10.00   4.31 138.77) =  99.999%  kept
          HA    VAL   43 - HB3   LEU   71   9.71 +/- 1.80   3.111% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB3   LEU   71  12.90 +/- 4.14   1.106% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.8:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  94.235% * 99.3538% (1.00  10.0 10.00   4.97 138.77) =  99.996%  kept
          HB3   GLN   17 - HB3   LEU   71  12.30 +/- 6.92   1.536% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  13.36 +/- 3.36   0.413% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   8.61 +/- 2.79   2.655% *  0.0339% (0.34   1.0  1.00   0.02   3.03) =   0.001%
          QB    LYS+  65 - HB3   LEU   71  12.00 +/- 1.82   0.414% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  14.48 +/- 2.89   0.231% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.35 +/- 1.28   0.405% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  19.19 +/- 3.51   0.111% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.78, residual support = 137.1:
    * O T QD1   LEU   71 - HB3   LEU   71   2.64 +/- 0.42  82.637% * 81.7962% (1.00  10.0 10.00   3.77 138.77) =  98.426%  kept
          QG1   VAL   70 - HB3   LEU   71   6.57 +/- 0.45   5.980% * 17.9575% (0.92   1.0  1.00   4.76  34.22) =   1.564%  kept
          QG1   VAL   18 - HB3   LEU   71   9.95 +/- 5.42   7.269% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - HB3   LEU   71  13.41 +/- 3.48   1.143% *  0.0818% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU   71  14.25 +/- 3.80   0.987% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  10.30 +/- 1.73   1.984% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.41, residual support = 138.1:
    * O T QD2   LEU   71 - HB3   LEU   71   2.65 +/- 0.34  60.654% * 97.4770% (1.00  10.0 10.00   4.43 138.77) =  99.545%  kept
          QD1   LEU   67 - HB3   LEU   71   6.94 +/- 1.95   8.304% *  1.7455% (0.45   1.0  1.00   0.80   0.02) =   0.244%  kept
          QD2   LEU   40 - HB3   LEU   71   5.40 +/- 2.09  25.502% *  0.4752% (0.41   1.0  1.00   0.24   1.96) =   0.204%  kept
          QD1   ILE  103 - HB3   LEU   71  11.80 +/- 3.32   1.489% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HB3   LEU   71  13.21 +/- 3.63   1.528% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB3   LEU   71  11.83 +/- 3.16   1.470% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB3   LEU   71  12.30 +/- 1.62   1.054% *  0.0670% (0.69   1.0  1.00   0.02   1.18) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 138.8:
    *   T HA    LEU   71 - QD1   LEU   71   3.80 +/- 0.29  85.506% * 99.9402% (1.00 10.00   4.08 138.77) =  99.996%  kept
          HA    VAL   43 - QD1   LEU   71   8.95 +/- 1.58  10.611% *  0.0223% (0.22  1.00   0.02   0.02) =   0.003%
          HA    ALA   20 - QD1   LEU   71  12.16 +/- 3.16   3.883% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.8:
    * O T HB2   LEU   71 - QD1   LEU   71   2.31 +/- 0.19  82.423% * 99.5520% (1.00  10.0 10.00   4.97 138.77) =  99.990%  kept
          HB    VAL   41 - QD1   LEU   71   6.87 +/- 1.90   9.509% *  0.0340% (0.34   1.0  1.00   0.02   3.03) =   0.004%
          HB3   GLN   17 - QD1   LEU   71  11.43 +/- 5.29   2.404% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD1   LEU   71  10.99 +/- 2.40   1.405% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - QD1   LEU   71  11.46 +/- 1.31   0.778% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.46 +/- 1.21   1.025% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD1   LEU   71  10.46 +/- 2.85   2.140% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD1   LEU   71  16.98 +/- 2.87   0.315% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.77, residual support = 138.8:
    * O T HB3   LEU   71 - QD1   LEU   71   2.64 +/- 0.42  96.105% * 99.6783% (1.00  10.0 10.00   3.77 138.77) =  99.997%  kept
          QG2   THR   94 - QD1   LEU   71  11.44 +/- 2.33   1.951% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   LEU   71  18.13 +/- 4.08   0.621% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD1   LEU   71  17.96 +/- 3.51   0.528% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  19.52 +/- 4.04   0.436% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  19.59 +/- 3.57   0.358% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.17, residual support = 137.8:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.06  63.851% * 97.8257% (1.00  10.0 10.00   4.20 138.77) =  99.268%  kept
          QD2   LEU   40 - QD1   LEU   71   4.05 +/- 1.46  24.774% *  1.8272% (0.41   1.0  1.00   0.91   1.96) =   0.719%  kept
          QD1   ILE  103 - QD1   LEU   71   9.35 +/- 2.83   2.731% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QG2   ILE  103 - QD1   LEU   71   9.28 +/- 2.89   3.125% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  119 - QD1   LEU   71  11.42 +/- 3.57   1.975% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - QD1   LEU   71   6.77 +/- 1.64   3.171% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - QD1   LEU   71  12.01 +/- 1.44   0.373% *  0.0672% (0.69   1.0  1.00   0.02   1.18) =   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 = 138.8:
    *   T HA    LEU   71 - QD2   LEU   71   2.73 +/- 0.60  89.436% * 99.9402% (1.00 10.00   5.00 138.77) =  99.997%  kept
          HA    VAL   43 - QD2   LEU   71   8.49 +/- 1.54   7.399% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - QD2   LEU   71  11.26 +/- 3.68   3.165% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 138.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.00 +/- 0.34  73.628% * 99.3538% (1.00  10.0 10.00   5.43 138.77) =  99.973%  kept
          HB3   GLN   17 - QD2   LEU   71  10.64 +/- 5.44   8.481% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.007%
        T HG12  ILE  103 - QD2   LEU   71  11.30 +/- 2.25   2.036% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - QD2   LEU   71   9.96 +/- 1.47   3.177% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - QD2   LEU   71   7.80 +/- 1.48   6.389% *  0.0339% (0.34   1.0  1.00   0.02   3.03) =   0.003%
          QB    LYS+  66 - QD2   LEU   71   9.25 +/- 1.47   3.988% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QD2   LEU   71  12.06 +/- 1.86   1.569% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QD2   LEU   71  16.03 +/- 3.07   0.732% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 138.8:
    * O T HB3   LEU   71 - QD2   LEU   71   2.65 +/- 0.34  95.176% * 99.2790% (1.00  10.0 10.00   4.43 138.77) =  99.994%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  18.84 +/- 4.21   0.524% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   94 - QD2   LEU   71  11.15 +/- 2.25   2.296% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - QD2   LEU   71  16.95 +/- 4.59   0.784% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD2   LEU   71  16.83 +/- 3.95   0.796% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD2   LEU   71  18.97 +/- 3.47   0.425% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.12 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.21, residual support = 136.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.06  84.640% * 81.8108% (1.00  10.0 10.00   4.20 138.77) =  98.064%  kept
          QG1   VAL   70 - QD2   LEU   71   5.13 +/- 1.09   7.591% * 17.9428% (0.92   1.0  1.00   4.75  34.22) =   1.929%  kept
          QG1   VAL   18 - QD2   LEU   71   8.69 +/- 4.52   2.993% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD2   LEU   71  10.73 +/- 3.50   1.833% *  0.0818% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QD2   LEU   71  11.55 +/- 2.78   0.995% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   8.25 +/- 1.76   1.949% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 3.99, residual support = 90.3:
    * O T HB2   PHE   72 - HA    PHE   72   2.56 +/- 0.15  91.153% * 93.5185% (0.64  10.0 10.00   4.01  90.59) =  99.425%  kept
          HA    ALA   64 - HA    PHE   72   7.01 +/- 1.08   7.652% *  6.4395% (0.55   1.0  1.00   1.58  46.86) =   0.575%  kept
          HB3   ASN   69 - HA    PHE   72  11.03 +/- 0.52   1.195% *  0.0420% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.56, residual support = 90.6:
    * O T HB3   PHE   72 - HA    PHE   72   2.59 +/- 0.18  81.705% * 99.4196% (0.66  10.0 10.00   4.56  90.59) =  99.983%  kept
          HB2   ASP-  44 - HA    PHE   72   8.05 +/- 2.36   5.973% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.008%
          HG12  ILE  119 - HA    PHE   72  12.37 +/- 4.22   5.310% *  0.0514% (0.34   1.0  1.00   0.02   0.24) =   0.003%
          QG    GLU-  15 - HA    PHE   72  12.99 +/- 5.51   1.998% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HA    PHE   72  14.82 +/- 4.25   0.831% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    PHE   72  12.93 +/- 4.11   3.568% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QB    MET   11 - HA    PHE   72  18.71 +/- 3.38   0.363% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  19.89 +/- 2.65   0.253% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.01, residual support = 90.6:
    * O T HA    PHE   72 - HB2   PHE   72   2.56 +/- 0.15 100.000% *100.0000% (0.64  10.0 10.00   4.01  90.59) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 4.27, residual support = 90.6:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  91.991% * 99.4196% (0.72  10.0 10.00   4.27  90.59) =  99.994%  kept
          HB2   ASP-  44 - HB2   PHE   72   7.33 +/- 2.15   2.707% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HB2   PHE   72  11.40 +/- 4.06   3.250% *  0.0514% (0.37   1.0  1.00   0.02   0.24) =   0.002%
          QG    GLU-  15 - HB2   PHE   72  13.46 +/- 4.77   0.426% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HB2   PHE   72  15.24 +/- 3.52   0.212% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.52 +/- 3.95   1.168% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.51 +/- 2.78   0.127% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  19.08 +/- 3.53   0.118% *  0.0918% (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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.56, residual support = 90.6:
    * O T HA    PHE   72 - HB3   PHE   72   2.59 +/- 0.18 100.000% *100.0000% (0.66  10.0 10.00   4.56  90.59) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 4.25, residual support = 90.1:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  91.506% * 88.1611% (0.72  10.0 10.00   4.27  90.59) =  98.845%  kept
          HA    ALA   64 - HB3   PHE   72   5.58 +/- 1.24   7.985% * 11.7993% (0.63   1.0  1.00   3.08  46.86) =   1.154%  kept
          HB3   ASN   69 - HB3   PHE   72  10.14 +/- 0.89   0.509% *  0.0396% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.2:
    * O T HB2   LEU   73 - HA    LEU   73   2.43 +/- 0.22  90.487% * 99.4108% (1.00  10.0 10.00   5.00 172.23) =  99.993%  kept
          QD    LYS+  99 - HA    LEU   73  14.51 +/- 2.95   2.144% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HA    LEU   73  18.57 +/- 3.78   1.882% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LEU   73  14.45 +/- 4.17   1.530% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  14.78 +/- 2.82   0.583% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LEU   73  16.39 +/- 3.52   0.521% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    LEU   73  12.76 +/- 3.23   1.569% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HA    LEU   73  21.38 +/- 4.85   0.254% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.76 +/- 2.48   0.749% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.11 +/- 2.35   0.279% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.994, support = 5.18, residual support = 169.6:
    * O T HB3   LEU   73 - HA    LEU   73   2.63 +/- 0.29  62.517% * 91.8804% (1.00  10.0 10.00   5.23 172.23) =  98.261%  kept
          HB    VAL   42 - HA    LEU   73   7.41 +/- 2.46  14.792% *  3.8391% (0.99   1.0  1.00   0.84   1.02) =   0.971%  kept
          HB3   LYS+  74 - HA    LEU   73   4.76 +/- 0.31  12.231% *  3.6212% (0.18   1.0  1.00   4.50  41.69) =   0.758%  kept
          HB3   PRO   93 - HA    LEU   73  12.57 +/- 4.02   3.403% *  0.0345% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    LEU   73  12.81 +/- 4.33   1.088% *  0.0887% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    LEU   73  12.01 +/- 1.68   0.931% *  0.0911% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  18.11 +/- 5.72   0.809% *  0.0901% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  16.68 +/- 4.85   0.776% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  15.41 +/- 2.98   0.514% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  11.52 +/- 1.84   1.037% *  0.0345% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    LEU   73  19.67 +/- 2.69   0.182% *  0.0917% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  13.52 +/- 2.70   0.664% *  0.0229% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  14.64 +/- 1.47   0.405% *  0.0313% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  17.07 +/- 3.91   0.361% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  18.16 +/- 3.12   0.290% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.19, residual support = 168.6:
    *   T QD1   LEU   73 - HA    LEU   73   3.76 +/- 0.37  59.806% * 85.6103% (1.00 10.00   5.30 172.23) =  97.888%  kept
        T QD1   LEU   63 - HA    LEU   73   9.25 +/- 1.71   7.543% * 13.0583% (1.00 10.00   0.31   0.02) =   1.883%  kept
          QD2   LEU   63 - HA    LEU   73   9.14 +/- 1.94  13.433% *  0.6917% (0.57  1.00   0.29   0.02) =   0.178%  kept
        T QD1   LEU  104 - HA    LEU   73  13.25 +/- 2.81   3.482% *  0.4847% (0.57 10.00   0.02   0.02) =   0.032%
          QD2   LEU  115 - HA    LEU   73  12.09 +/- 3.93   9.826% *  0.0715% (0.84  1.00   0.02   0.02) =   0.013%
          QD2   LEU   80 - HA    LEU   73  11.89 +/- 3.20   3.870% *  0.0686% (0.80  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HA    LEU   73  13.05 +/- 2.40   2.041% *  0.0150% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.2:
    *   T QD2   LEU   73 - HA    LEU   73   2.84 +/- 0.59  77.402% * 99.4036% (1.00 10.00   6.21 172.23) =  99.983%  kept
          QD1   ILE   56 - HA    LEU   73  12.58 +/- 3.26   4.259% *  0.0891% (0.90  1.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HA    LEU   73   7.33 +/- 2.08  10.639% *  0.0276% (0.28  1.00   0.02   2.81) =   0.004%
        T HG3   LYS+ 121 - HA    LEU   73  17.29 +/- 3.40   0.707% *  0.3391% (0.34 10.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HA    LEU   73  10.78 +/- 2.65   2.345% *  0.0959% (0.97  1.00   0.02   1.31) =   0.003%
          QG1   VAL   41 - HA    LEU   73   9.37 +/- 2.07   4.648% *  0.0446% (0.45  1.00   0.02   0.02) =   0.003%
    Distance limit 3.02 A violated in 0 structures by 0.17 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 172.2:
    * O T HA    LEU   73 - HB2   LEU   73   2.43 +/- 0.22 100.000% *100.0000% (1.00  10.0 10.00   5.00 172.23) = 100.000%  kept
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.23, residual support = 171.9:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  86.173% * 92.0934% (1.00  10.0 10.00   5.23 172.23) =  99.768%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.08 +/- 0.84   4.444% *  3.6300% (0.18   1.0  1.00   4.50  41.69) =   0.203%  kept
        T HB3   PRO   93 - HB2   LEU   73  12.43 +/- 4.89   3.178% *  0.3456% (0.38   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+  33 - HB2   LEU   73  13.25 +/- 4.66   0.396% *  0.8888% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HB2   LEU   73   8.61 +/- 2.60   3.202% *  0.0913% (0.99   1.0  1.00   0.02   1.02) =   0.004%
        T HG3   LYS+  65 - HB2   LEU   73  13.36 +/- 1.57   0.222% *  0.9128% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HB2   LEU   73  15.66 +/- 3.20   0.204% *  0.8501% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HB2   LEU   73  20.07 +/- 2.93   0.074% *  0.9189% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HB2   LEU   73  18.19 +/- 6.68   0.584% *  0.0903% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HB2   LEU   73  16.90 +/- 4.80   0.346% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  12.02 +/- 2.10   0.432% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  14.17 +/- 2.90   0.303% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  14.15 +/- 1.25   0.177% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  17.74 +/- 4.48   0.146% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  18.99 +/- 3.21   0.119% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 171.5:
    * O T QD1   LEU   73 - HB2   LEU   73   2.60 +/- 0.41  80.067% * 86.1645% (1.00  10.0 10.00   5.28 172.23) =  99.561%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.14 +/- 1.72   2.195% * 13.1429% (1.00   1.0 10.00   0.31   0.02) =   0.416%  kept
          QD2   LEU  115 - HB2   LEU   73  12.58 +/- 4.44   7.926% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T QD1   LEU  104 - HB2   LEU   73  13.80 +/- 3.17   1.102% *  0.4878% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - HB2   LEU   73  11.36 +/- 3.84   3.721% *  0.0690% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU   73  10.25 +/- 1.88   3.024% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   LEU   73  12.63 +/- 2.69   1.965% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 6.19, residual support = 171.8:
    * O T QD2   LEU   73 - HB2   LEU   73   2.85 +/- 0.28  72.639% * 97.7504% (1.00  10.0 10.00   6.21 172.23) =  99.746%  kept
          QG1   VAL   43 - HB2   LEU   73   7.61 +/- 2.51  14.199% *  0.9013% (0.28   1.0  1.00   0.66   2.81) =   0.180%  kept
        T QD1   ILE   56 - HB2   LEU   73  12.75 +/- 4.03   5.285% *  0.8767% (0.90   1.0 10.00   0.02   0.02) =   0.065%
          HG    LEU   31 - HB2   LEU   73  10.46 +/- 3.37   2.809% *  0.0943% (0.97   1.0  1.00   0.02   1.31) =   0.004%
          QG1   VAL   41 - HB2   LEU   73   9.96 +/- 2.41   4.609% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB2   LEU   73  17.97 +/- 3.95   0.458% *  0.3334% (0.34   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.23, residual support = 172.2:
    * O T HA    LEU   73 - HB3   LEU   73   2.63 +/- 0.29 100.000% *100.0000% (1.00  10.0 10.00   5.23 172.23) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 172.2:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  94.143% * 98.2609% (1.00  10.0 10.00   5.23 172.23) =  99.995%  kept
        T HD2   LYS+ 111 - HB3   LEU   73  21.20 +/- 5.24   0.114% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LEU   73  19.31 +/- 4.61   1.174% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HB3   LEU   73  12.82 +/- 4.37   2.253% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HB3   LEU   73  14.26 +/- 4.76   1.044% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU   73  18.03 +/- 2.55   0.115% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HB3   LEU   73  14.86 +/- 2.76   0.478% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.04 +/- 3.77   0.235% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.69 +/- 2.45   0.217% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  16.04 +/- 2.65   0.227% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.43, residual support = 171.2:
    * O T QD1   LEU   73 - HB3   LEU   73   2.39 +/- 0.33  81.215% * 85.6327% (1.00  10.0 10.00   5.46 172.23) =  99.421%  kept
        T QD1   LEU   63 - HB3   LEU   73   9.96 +/- 1.63   2.806% * 13.0618% (1.00   1.0 10.00   0.31   0.02) =   0.524%  kept
        T QD1   LEU  104 - HB3   LEU   73  13.41 +/- 3.15   3.747% *  0.4848% (0.57   1.0 10.00   0.02   0.02) =   0.026%
        T QD2   LEU   80 - HB3   LEU   73  11.36 +/- 4.06   2.081% *  0.6857% (0.80   1.0 10.00   0.02   0.02) =   0.020%
          QD2   LEU  115 - HB3   LEU   73  12.52 +/- 4.31   5.799% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB3   LEU   73  10.02 +/- 1.74   3.412% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   LEU   73  12.60 +/- 3.03   0.941% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.64, residual support = 172.1:
    * O T QD2   LEU   73 - HB3   LEU   73   2.93 +/- 0.31  70.294% * 99.1570% (1.00  10.0 10.00   6.64 172.23) =  99.928%  kept
        T QG1   VAL   43 - HB3   LEU   73   7.22 +/- 2.44  13.151% *  0.2757% (0.28   1.0 10.00   0.02   2.81) =   0.052%
          QD1   ILE   56 - HB3   LEU   73  12.58 +/- 4.32   7.179% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          HG    LEU   31 - HB3   LEU   73  10.07 +/- 3.78   3.350% *  0.0957% (0.97   1.0  1.00   0.02   1.31) =   0.005%
          QG1   VAL   41 - HB3   LEU   73   9.54 +/- 2.33   5.490% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   73  17.80 +/- 3.68   0.536% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 166.5:
    *   T HA    LEU   73 - QD1   LEU   73   3.76 +/- 0.37  78.087% * 86.5816% (1.00 10.00   5.30 172.23) =  96.699%  kept
        T HA    LEU   73 - QD1   LEU   63   9.25 +/- 1.71  17.403% * 13.2065% (1.00 10.00   0.31   0.02) =   3.287%  kept
        T HA    LEU   73 - QD1   LEU  104  13.25 +/- 2.81   4.510% *  0.2119% (0.24 10.00   0.02   0.02) =   0.014%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.943, support = 5.04, residual support = 161.6:
    * O T HB2   LEU   73 - QD1   LEU   73   2.60 +/- 0.41  28.595% * 79.8296% (1.00  10.0 10.00   5.28 172.23) =  93.167%  kept
        T HB3   LYS+  99 - QD1   LEU  104   3.12 +/- 1.85  29.282% *  4.3504% (0.05   1.0 10.00   2.00  18.46) =   5.199%  kept
          QD    LYS+  99 - QD1   LEU  104   3.79 +/- 1.77  14.230% *  1.6657% (0.23   1.0  1.00   1.85  18.46) =   0.967%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.14 +/- 1.72   0.974% * 12.1766% (1.00   1.0 10.00   0.31   0.02) =   0.484%  kept
          QD    LYS+ 106 - QD1   LEU   63  11.38 +/- 3.59   4.551% *  0.8182% (0.95   1.0  1.00   0.22   0.02) =   0.152%  kept
          QG1   ILE   56 - QD1   LEU   73  11.23 +/- 4.38   8.392% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.008%
          QG1   ILE   56 - QD1   LEU   63   6.73 +/- 1.89   2.613% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - QD1   LEU  104  13.80 +/- 3.17   0.303% *  0.1954% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - QD1   LEU   63   9.50 +/- 2.40   0.851% *  0.0516% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - QD1   LEU   73  16.32 +/- 4.25   0.745% *  0.0516% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD1   LEU   63  11.14 +/- 2.34   0.511% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD1   LEU   63  11.57 +/- 2.99   0.754% *  0.0484% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   73  12.80 +/- 4.23   0.722% *  0.0484% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  12.40 +/- 2.13   0.373% *  0.0755% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  11.94 +/- 2.11   0.356% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  13.72 +/- 3.24   0.332% *  0.0770% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   7.12 +/- 1.34   2.717% *  0.0080% (0.10   1.0  1.00   0.02   0.33) =   0.001%
          HB3   MET   92 - QD1   LEU   73  14.18 +/- 3.38   0.276% *  0.0770% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.30 +/- 0.90   0.970% *  0.0185% (0.23   1.0  1.00   0.02   0.23) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  14.36 +/- 2.56   0.244% *  0.0716% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   73  18.21 +/- 4.82   0.171% *  0.0716% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  14.79 +/- 2.70   0.305% *  0.0328% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.27 +/- 2.90   0.289% *  0.0328% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  12.27 +/- 2.38   0.377% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  12.97 +/- 2.29   0.276% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  13.34 +/- 4.72   0.302% *  0.0126% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.57 +/- 1.65   0.096% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.41 +/- 1.23   0.096% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  14.09 +/- 1.96   0.207% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.48 +/- 1.43   0.092% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.995, support = 5.39, residual support = 169.0:
    * O T HB3   LEU   73 - QD1   LEU   73   2.39 +/- 0.33  35.721% * 77.6612% (1.00  10.0 10.00   5.46 172.23) =  98.006%  kept
          HB    VAL   42 - QD1   LEU   73   7.23 +/- 2.06   5.624% *  4.8663% (0.99   1.0  1.00   1.26   1.02) =   0.967%  kept
        T HB3   LEU   73 - QD1   LEU   63   9.96 +/- 1.63   1.060% * 11.8458% (1.00   1.0 10.00   0.31   0.02) =   0.444%  kept
          HB3   LYS+  74 - QD1   LEU   73   5.85 +/- 0.72   3.489% *  3.0784% (0.18   1.0  1.00   4.53  41.69) =   0.379%  kept
          QB    LEU   98 - QD1   LEU  104   5.39 +/- 0.74   3.843% *  1.0018% (0.09   1.0  1.00   2.81  11.38) =   0.136%  kept
          HB2   LYS+ 112 - QD1   LEU   73  15.74 +/- 6.16   4.870% *  0.0761% (0.98   1.0  1.00   0.02   0.02) =   0.013%
        T HB3   LEU   73 - QD1   LEU  104  13.41 +/- 3.15   1.482% *  0.1901% (0.24   1.0 10.00   0.02   0.02) =   0.010%
          HB    VAL   42 - QD1   LEU   63   6.70 +/- 1.97   3.525% *  0.0770% (0.99   1.0  1.00   0.02   0.02) =   0.010%
          HG3   LYS+  65 - QD1   LEU   63   7.73 +/- 1.41   1.678% *  0.0770% (0.99   1.0  1.00   0.02   3.36) =   0.005%
          HG3   LYS+  33 - QD1   LEU   73   9.94 +/- 4.48   1.352% *  0.0749% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QD1   LEU   63  15.68 +/- 3.76   1.730% *  0.0502% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - QD1   LEU   63  11.51 +/- 3.57   1.174% *  0.0717% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD1   LEU   63   9.35 +/- 2.46   3.952% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   73  11.39 +/- 3.89   1.717% *  0.0291% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD1   LEU   63  11.12 +/- 1.88   0.574% *  0.0761% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QD1   LEU  104  11.28 +/- 2.98   1.920% *  0.0183% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD1   LEU   73  12.01 +/- 1.67   0.421% *  0.0770% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU  104   7.45 +/- 1.29   1.663% *  0.0190% (0.24   1.0  1.00   0.02   0.33) =   0.001%
          HB3   PRO   93 - QD1   LEU   63   9.86 +/- 3.22   1.055% *  0.0291% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  13.84 +/- 2.75   0.409% *  0.0749% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  12.99 +/- 2.46   0.425% *  0.0717% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU  104   8.60 +/- 2.12   1.571% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   73  13.91 +/- 3.59   0.571% *  0.0502% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   73   9.51 +/- 2.01   0.906% *  0.0291% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU  104   8.15 +/- 5.36   8.426% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  10.19 +/- 2.09   0.802% *  0.0291% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.89 +/- 0.63   1.175% *  0.0175% (0.23   1.0  1.00   0.02   0.23) =   0.001%
          HG    LEU   98 - QD1   LEU   63  11.63 +/- 2.28   0.717% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.03 +/- 1.04   2.858% *  0.0047% (0.06   1.0  1.00   0.02  11.38) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  16.00 +/- 2.72   0.168% *  0.0775% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73  11.22 +/- 2.62   0.646% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  16.58 +/- 3.06   0.154% *  0.0775% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   9.62 +/- 1.96   0.913% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  12.34 +/- 1.38   0.288% *  0.0265% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.82 +/- 2.16   0.535% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.53 +/- 3.18   0.258% *  0.0265% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  14.68 +/- 4.33   0.457% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  15.89 +/- 3.22   0.221% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  17.35 +/- 2.44   0.148% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.27 +/- 1.61   0.143% *  0.0186% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  17.63 +/- 3.64   0.165% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  12.34 +/- 5.05   0.591% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.60 +/- 1.41   0.169% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.49 +/- 2.75   0.154% *  0.0065% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  15.68 +/- 2.98   0.280% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 6.41, residual support = 168.6:
    * O T QD2   LEU   73 - QD1   LEU   73   2.05 +/- 0.08  44.990% * 68.3252% (1.00  10.0 10.00   6.52 172.23) =  97.871%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.48 +/- 1.48   1.438% * 19.9120% (1.00   1.0 10.00   0.58   0.02) =   0.912%  kept
          HG    LEU   31 - QD1   LEU   73   6.90 +/- 3.71   3.440% *  7.0229% (0.97   1.0  1.00   2.13   1.31) =   0.769%  kept
          HG    LEU   31 - QD1   LEU   63  12.00 +/- 3.73   2.645% *  2.8100% (0.97   1.0  1.00   0.85   0.02) =   0.237%  kept
          QG1   VAL   43 - QD1   LEU   73   6.27 +/- 2.60   8.476% *  0.3746% (0.28   1.0  1.00   0.39   2.81) =   0.101%  kept
        T QG1   VAL   41 - QD1   LEU   73   7.75 +/- 2.31   3.068% *  0.3063% (0.45   1.0 10.00   0.02   0.02) =   0.030%
        T QG1   VAL   41 - QD1   LEU  104   6.39 +/- 1.77  10.132% *  0.0750% (0.11   1.0 10.00   0.02   0.02) =   0.024%
          QD1   ILE   56 - QD1   LEU   73  11.00 +/- 4.22   8.028% *  0.0613% (0.90   1.0  1.00   0.02   0.02) =   0.016%
        T HG3   LYS+ 121 - QD1   LEU  104   8.29 +/- 5.64   7.372% *  0.0570% (0.08   1.0 10.00   0.02   0.02) =   0.013%
        T QD2   LEU   73 - QD1   LEU  104  10.37 +/- 2.50   1.418% *  0.1672% (0.24   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE   56 - QD1   LEU   63   6.59 +/- 1.94   2.964% *  0.0613% (0.90   1.0  1.00   0.02   0.02) =   0.006%
        T QG1   VAL   41 - QD1   LEU   63   9.30 +/- 1.41   0.573% *  0.3063% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - QD1   LEU   63   9.56 +/- 1.97   0.647% *  0.2331% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 121 - QD1   LEU   73  14.90 +/- 3.79   0.186% *  0.2331% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   63   8.31 +/- 2.27   1.373% *  0.0190% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  10.71 +/- 3.83   1.569% *  0.0161% (0.24   1.0  1.00   0.02   0.50) =   0.001%
          QG1   VAL   43 - QD1   LEU  104   8.58 +/- 1.88   1.507% *  0.0047% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.44 +/- 1.68   0.175% *  0.0150% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.2:
    *   T HA    LEU   73 - QD2   LEU   73   2.84 +/- 0.59  99.086% * 99.6602% (1.00 10.00   6.21 172.23) =  99.997%  kept
        T HA    LEU   73 - HG3   LYS+ 121  17.29 +/- 3.40   0.914% *  0.3398% (0.34 10.00   0.02   0.02) =   0.003%
    Distance limit 3.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.997, support = 6.19, residual support = 171.7:
    * O T HB2   LEU   73 - QD2   LEU   73   2.85 +/- 0.28  58.663% * 94.3331% (1.00  10.0 10.00   6.21 172.23) =  99.699%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.42 +/- 0.77   2.528% *  4.2649% (0.22   1.0 10.00   0.41   2.28) =   0.194%  kept
        T QG1   ILE   56 - QD2   LEU   73  10.52 +/- 3.76  15.710% *  0.2912% (0.31   1.0 10.00   0.02   0.02) =   0.082%
          QD    LYS+  99 - QD2   LEU   73  11.19 +/- 2.46   6.263% *  0.0871% (0.92   1.0  1.00   0.02   0.02) =   0.010%
        T HB2   LEU   73 - HG3   LYS+ 121  17.97 +/- 3.95   0.354% *  0.3217% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD2   LEU   73  12.45 +/- 3.70   1.901% *  0.0572% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD2   LEU   73  11.92 +/- 2.28   1.108% *  0.0892% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD2   LEU   73  13.92 +/- 3.13   0.934% *  0.0910% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HG3   LYS+ 121  11.18 +/- 4.78   2.466% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+ 121  13.26 +/- 1.35   0.698% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  15.09 +/- 3.59   0.882% *  0.0610% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD2   LEU   73  12.19 +/- 2.34   1.830% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  17.62 +/- 4.40   0.440% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG3   LYS+ 121  12.62 +/- 4.43   1.129% *  0.0304% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  14.53 +/- 2.26   0.589% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  12.20 +/- 6.00   2.769% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  15.23 +/- 5.90   1.029% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  17.19 +/- 2.29   0.313% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.29 +/- 1.96   0.178% *  0.0310% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.98 +/- 1.64   0.216% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.923, support = 6.43, residual support = 175.2:
    * O T HB3   LEU   73 - QD2   LEU   73   2.93 +/- 0.31  26.130% * 81.3325% (1.00  10.0 10.00   6.64 172.23) =  88.766%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.51 +/- 0.28  38.840% *  4.2793% (0.05  10.0 10.00   5.98 312.77) =   6.942%  kept
          HB    VAL   42 - QD2   LEU   73   5.86 +/- 2.13  11.790% *  5.4022% (0.99   1.0  1.00   1.34   1.02) =   2.660%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.27 +/- 0.86   7.779% *  4.1231% (0.18   1.0  1.00   5.79  41.69) =   1.340%  kept
          HB2   LYS+ 112 - QD2   LEU   73  15.04 +/- 5.36   1.717% *  3.7417% (0.98   1.0  1.00   0.94   0.02) =   0.268%  kept
          HG3   LYS+  33 - QD2   LEU   73   9.88 +/- 3.81   1.581% *  0.0785% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  65 - QD2   LEU   73  10.56 +/- 1.25   0.757% *  0.0806% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 121 - QD2   LEU   73  13.66 +/- 3.83   0.461% *  0.1255% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   73 - HG3   LYS+ 121  17.80 +/- 3.68   0.186% *  0.2773% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD2   LEU   73  10.92 +/- 3.39   1.546% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD2   LEU   73  12.37 +/- 2.42   0.479% *  0.0751% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   73   9.04 +/- 1.73   1.043% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  14.04 +/- 3.30   0.569% *  0.0526% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  12.28 +/- 4.95   0.909% *  0.0275% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73  10.72 +/- 2.29   0.861% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  15.65 +/- 2.46   0.201% *  0.0812% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  12.55 +/- 5.18   0.533% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  12.51 +/- 1.91   0.490% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HG3   LYS+ 121  16.61 +/- 6.61   0.297% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.07 +/- 4.92   0.664% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.14 +/- 1.25   1.229% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  18.59 +/- 5.52   0.212% *  0.0268% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  14.82 +/- 2.84   0.317% *  0.0142% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.31 +/- 0.83   0.157% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.62 +/- 2.29   0.143% *  0.0275% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.50 +/- 5.53   0.552% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  21.96 +/- 5.38   0.206% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.18 +/- 1.78   0.139% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  22.09 +/- 2.52   0.076% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  19.19 +/- 3.33   0.138% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 6.46, residual support = 170.4:
    * O T QD1   LEU   73 - QD2   LEU   73   2.05 +/- 0.08  62.571% * 75.5128% (1.00  10.0 10.00   6.52 172.23) =  98.924%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.48 +/- 1.48   2.008% * 22.0067% (1.00   1.0 10.00   0.58   0.02) =   0.925%  kept
          QD2   LEU   63 - QD2   LEU   73   7.51 +/- 1.50   2.881% *  1.1943% (0.57   1.0  1.00   0.56   0.02) =   0.072%
        T QD1   LEU  104 - HG3   LYS+ 121   8.29 +/- 5.64  11.051% *  0.1458% (0.19   1.0 10.00   0.02   0.02) =   0.034%
        T QD1   LEU  104 - QD2   LEU   73  10.37 +/- 2.50   1.918% *  0.4275% (0.57   1.0 10.00   0.02   0.02) =   0.017%
          QD2   LEU  115 - QD2   LEU   73  10.15 +/- 3.73  12.867% *  0.0631% (0.84   1.0  1.00   0.02   0.02) =   0.017%
        T QD1   LEU   63 - HG3   LYS+ 121   9.56 +/- 1.97   0.912% *  0.2575% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - QD2   LEU   73  10.10 +/- 3.62   2.662% *  0.0605% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HG3   LYS+ 121  14.90 +/- 3.79   0.254% *  0.2575% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HG3   LYS+ 121   9.70 +/- 1.22   0.744% *  0.0215% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   9.88 +/- 2.59   0.988% *  0.0146% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73  11.01 +/- 2.68   0.951% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.54 +/- 4.36   0.087% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  20.81 +/- 4.60   0.107% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.7:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.74 +/- 0.25  80.175% * 99.4757% (0.64  10.0 10.00   6.31 186.77) =  99.987%  kept
          QG2   THR   26 - HA    LYS+  74  11.15 +/- 4.36   4.693% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   67 - HA    LYS+  74   9.50 +/- 2.49   6.778% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HA    LYS+  74  12.17 +/- 2.02   1.333% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HA    LYS+  74  10.37 +/- 2.27   2.444% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HA    LYS+  74  13.84 +/- 3.03   1.093% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LYS+  74  15.89 +/- 1.92   0.570% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    LYS+  74  13.45 +/- 2.90   1.363% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  12.14 +/- 1.57   1.136% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  17.28 +/- 2.51   0.415% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.7:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.53 +/- 0.34  86.713% * 99.1206% (0.80  10.0 10.00   6.28 186.77) =  99.983%  kept
        T HG3   LYS+ 111 - HA    LYS+  74  19.16 +/- 3.88   1.968% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.009%
          HG13  ILE   19 - HA    LYS+  74  11.46 +/- 6.75   3.342% *  0.0915% (0.74   1.0  1.00   0.02   7.89) =   0.004%
          HG    LEU   71 - HA    LYS+  74  11.34 +/- 1.18   1.109% *  0.0989% (0.80   1.0  1.00   0.02   1.18) =   0.001%
          QB    ALA   91 - HA    LYS+  74  12.49 +/- 1.73   1.481% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  74  10.77 +/- 2.03   3.320% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  74  12.56 +/- 2.32   1.038% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    LYS+  74  18.68 +/- 2.34   0.365% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  16.19 +/- 2.17   0.456% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  19.95 +/- 1.45   0.207% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.776, support = 5.55, residual support = 180.0:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.59 +/- 0.12  47.062% * 92.2723% (0.80  10.0 10.00   5.57 186.77) =  95.618%  kept
          HB    VAL   75 - HA    LYS+  74   4.34 +/- 0.17  26.916% *  7.3191% (0.25   1.0  1.00   5.14  31.73) =   4.338%  kept
          QD1   LEU   67 - HA    LYS+  74   6.86 +/- 2.08  16.071% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.030%
          QD2   LEU   40 - HA    LYS+  74  10.65 +/- 1.79   2.994% *  0.0828% (0.72   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   71 - HA    LYS+  74   9.03 +/- 0.92   3.268% *  0.0634% (0.55   1.0  1.00   0.02   1.18) =   0.005%
          QG2   ILE  103 - HA    LYS+  74  13.79 +/- 1.43   0.988% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LYS+  74  13.57 +/- 2.10   1.101% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    LYS+  74  12.94 +/- 1.94   1.602% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.29 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.7:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.83 +/- 0.60  83.876% * 99.2156% (0.80 10.00   5.91 186.77) =  99.986%  kept
          QD    LYS+  65 - HA    LYS+  74   9.75 +/- 2.07   8.115% *  0.0562% (0.45  1.00   0.02   0.02) =   0.005%
          QB    ALA   57 - HA    LYS+  74  10.69 +/- 2.15   3.249% *  0.0861% (0.69  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HA    LYS+  74  17.61 +/- 2.29   0.546% *  0.3384% (0.27 10.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HA    LYS+  74  14.48 +/- 3.56   1.157% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  74  13.43 +/- 1.62   1.054% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+  74  19.79 +/- 2.80   0.825% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  16.40 +/- 2.44   0.748% *  0.0602% (0.49  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  20.59 +/- 3.78   0.429% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.13 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.8:
    *   T QE    LYS+  74 - HA    LYS+  74   2.78 +/- 0.60  85.930% * 99.7560% (0.80 10.00   4.93 186.77) =  99.993%  kept
          HB2   PHE   72 - HA    LYS+  74   6.45 +/- 0.67   9.882% *  0.0308% (0.25  1.00   0.02   2.33) =   0.004%
          QB    CYS   50 - HA    LYS+  74  12.28 +/- 3.27   1.626% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HA    LYS+  74  14.52 +/- 1.96   0.896% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.53 +/- 0.76   1.666% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.21 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.8:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.74 +/- 0.25  98.390% * 99.8966% (0.64  10.0 10.00   6.31 186.77) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  13.78 +/- 1.98   0.932% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  15.49 +/- 2.32   0.678% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.84, residual support = 186.6:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.03 +/- 0.04  83.381% * 98.2971% (0.80  10.0 10.00   5.84 186.77) =  99.934%  kept
          HG13  ILE   19 - HB2   LYS+  74  11.51 +/- 6.58   4.501% *  0.9215% (0.74   1.0  1.00   0.20   7.89) =   0.051%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.84 +/- 4.38   1.820% *  0.3689% (0.30   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   71 - HB2   LYS+  74  11.74 +/- 2.17   2.315% *  0.0981% (0.80   1.0  1.00   0.02   1.18) =   0.003%
          QG2   THR   39 - HB2   LYS+  74  12.85 +/- 3.18   2.360% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   91 - HB2   LYS+  74  13.37 +/- 2.22   1.435% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74  11.95 +/- 2.29   2.884% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  19.64 +/- 3.21   0.462% *  0.0981% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+  74  17.36 +/- 1.89   0.500% *  0.0441% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.20 +/- 2.69   0.343% *  0.0335% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.797, support = 5.26, residual support = 185.3:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.60 +/- 0.13  69.097% * 91.5754% (0.80  10.0 10.00   5.27 186.77) =  99.118%  kept
          HB    VAL   75 - HB2   LYS+  74   6.10 +/- 0.62   5.838% *  6.5191% (0.25   1.0  1.00   4.61  31.73) =   0.596%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.45 +/- 3.00  20.069% *  0.8453% (0.74   1.0 10.00   0.02   0.02) =   0.266%  kept
        T QD2   LEU   40 - HB2   LYS+  74  11.40 +/- 2.44   1.283% *  0.8213% (0.72   1.0 10.00   0.02   0.02) =   0.017%
          QD2   LEU   71 - HB2   LYS+  74   9.44 +/- 1.58   1.735% *  0.0629% (0.55   1.0  1.00   0.02   1.18) =   0.002%
          QG2   ILE  119 - HB2   LYS+  74  13.81 +/- 2.91   1.097% *  0.0344% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LYS+  74  15.04 +/- 1.88   0.405% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.77 +/- 2.58   0.475% *  0.0518% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 186.7:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.43 +/- 0.37  93.058% * 97.4681% (0.80  10.0 10.00   6.31 186.77) =  99.974%  kept
        T QD    LYS+  65 - HB2   LYS+  74  10.09 +/- 2.52   2.377% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   LYS+ 121 - HB2   LYS+  74  17.59 +/- 3.03   0.561% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.32 +/- 4.35   0.398% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HB2   LYS+  74  17.83 +/- 3.18   0.420% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HB2   LYS+  74  11.61 +/- 2.39   1.517% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  14.35 +/- 3.36   0.716% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  14.21 +/- 1.72   0.609% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  20.62 +/- 3.70   0.342% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 186.7:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.26 +/- 0.70  82.128% * 99.7560% (0.80 10.00   4.62 186.77) =  99.989%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.57 +/- 1.22  10.154% *  0.0308% (0.25  1.00   0.02   2.33) =   0.004%
          QB    CYS   50 - HB2   LYS+  74  13.19 +/- 3.44   2.917% *  0.0995% (0.80  1.00   0.02   0.02) =   0.004%
          HB3   ASN   69 - HB2   LYS+  74  15.23 +/- 3.46   2.570% *  0.0762% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+  74  12.08 +/- 1.25   2.230% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.8:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.53 +/- 0.34  89.711% * 99.7790% (0.80  10.0 10.00   6.28 186.77) =  99.996%  kept
        T HA    LYS+  74 - HG3   LYS+ 111  19.16 +/- 3.88   2.033% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HG2   LYS+  74  12.96 +/- 1.73   1.330% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG2   LYS+  74  14.20 +/- 2.67   1.282% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   9.71 +/- 1.79   3.396% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.64 +/- 2.42   2.248% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 186.7:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.03 +/- 0.04  59.839% * 99.3145% (0.80  10.0 10.00   5.84 186.77) =  99.975%  kept
          HG    LEU   67 - HG2   LYS+  74   9.90 +/- 3.71  15.813% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  65 - HG2   LYS+  74   9.94 +/- 2.71   3.641% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HG2   LYS+  74  11.84 +/- 3.92   2.932% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  115 - HG2   LYS+  74  14.42 +/- 3.16   1.807% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.84 +/- 4.38   1.357% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG2   LYS+  74  13.63 +/- 2.79   0.973% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HG2   LYS+  74  16.43 +/- 2.34   0.483% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG2   LYS+  74  14.16 +/- 3.00   1.877% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   9.00 +/- 1.83   3.727% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HG2   LYS+  74  13.58 +/- 2.23   0.937% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  18.28 +/- 2.93   0.375% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.28 +/- 1.42   3.805% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.85 +/- 1.16   0.865% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  16.13 +/- 2.22   0.471% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.26 +/- 2.50   0.177% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  22.74 +/- 3.58   0.271% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.20 +/- 2.17   0.213% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.11 +/- 2.94   0.225% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.46 +/- 2.44   0.212% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.09 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 = 4.53, residual support = 186.4:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  85.385% * 92.8755% (1.00  10.0 10.00   4.53 186.77) =  99.743%  kept
          HB    VAL   75 - HG2   LYS+  74   5.62 +/- 0.65   3.003% *  6.5056% (0.31   1.0  1.00   4.54  31.73) =   0.246%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.20 +/- 2.99   7.658% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.68 +/- 4.73   1.178% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG2   LYS+  74  11.92 +/- 2.15   0.391% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.25 +/- 1.42   0.499% *  0.0638% (0.69   1.0  1.00   0.02   1.18) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.16 +/- 1.26   0.141% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.21 +/- 2.35   0.341% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  18.84 +/- 4.21   0.134% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.89 +/- 2.07   0.162% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.37 +/- 1.75   0.176% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.72 +/- 2.70   0.145% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.61 +/- 1.31   0.263% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.71 +/- 2.20   0.103% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.35 +/- 2.18   0.150% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  17.72 +/- 3.06   0.273% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.928, support = 5.52, residual support = 196.7:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.82 +/- 0.18  45.301% * 89.4618% (1.00  10.0 10.00   5.54 186.77) =  92.087%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.87 +/- 0.21  43.213% *  7.9861% (0.09  10.0 10.00   5.39 314.61) =   7.842%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.22 +/- 2.55   3.765% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.043%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.06 +/- 4.28   0.904% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+  33 - HG2   LYS+  74  15.68 +/- 2.89   0.348% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.13 +/- 4.23   1.382% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG2   LYS+  74  10.26 +/- 2.41   1.422% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  74  18.74 +/- 3.13   0.193% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  13.67 +/- 1.95   0.524% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+  74  17.34 +/- 2.67   0.239% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  11.71 +/- 2.49   1.511% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.29 +/- 2.30   0.222% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  20.26 +/- 2.99   0.203% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  25.78 +/- 2.69   0.074% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  26.57 +/- 2.88   0.061% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.91 +/- 2.14   0.304% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.76 +/- 3.90   0.196% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.76 +/- 1.39   0.139% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 186.8:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.55 +/- 0.49  84.313% * 99.6238% (1.00  10.0 10.00   4.53 186.77) =  99.991%  kept
        T QE    LYS+  74 - HG3   LYS+ 111  17.30 +/- 3.94   2.739% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG2   LYS+  74   8.00 +/- 1.02   5.333% *  0.0307% (0.31   1.0  1.00   0.02   2.33) =   0.002%
          QB    CYS   50 - HG2   LYS+  74  11.80 +/- 3.07   1.413% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HG2   LYS+  74  10.93 +/- 1.46   1.928% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  15.35 +/- 3.25   0.925% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HG3   LYS+ 111  14.79 +/- 3.27   1.198% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  20.52 +/- 4.75   1.433% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  24.19 +/- 4.32   0.328% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  19.28 +/- 3.62   0.391% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.8:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.59 +/- 0.12  95.661% * 99.8966% (0.80  10.0 10.00   5.57 186.77) =  99.998%  kept
          HA    THR   94 - HG3   LYS+  74  14.15 +/- 1.82   2.285% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HG3   LYS+  74  15.20 +/- 2.57   2.054% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.27, residual support = 186.7:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.60 +/- 0.13  69.046% * 98.5261% (0.80  10.0 10.00   5.27 186.77) =  99.953%  kept
        T HG    LEU  115 - HG3   LYS+  74  15.33 +/- 3.93   2.379% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.030%
          HG    LEU   67 - HG3   LYS+  74  10.37 +/- 4.21  18.140% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          QG2   THR   26 - HG3   LYS+  74  11.69 +/- 4.12   3.205% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HG3   LYS+  74  10.21 +/- 3.02   2.836% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HG3   LYS+  74  14.29 +/- 2.58   0.548% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG3   LYS+  74  14.28 +/- 3.13   0.587% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG3   LYS+  74  15.11 +/- 3.78   2.613% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  17.01 +/- 3.10   0.373% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  19.08 +/- 3.42   0.273% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 186.8:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  96.066% * 99.1206% (1.00  10.0 10.00   4.53 186.77) =  99.993%  kept
        T HG3   LYS+ 111 - HG3   LYS+  74  20.68 +/- 4.73   1.320% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - HG3   LYS+  74  12.43 +/- 6.21   0.750% *  0.0915% (0.92   1.0  1.00   0.02   7.89) =   0.001%
          HG    LEU   71 - HG3   LYS+  74  13.18 +/- 2.14   0.361% *  0.0989% (1.00   1.0  1.00   0.02   1.18) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.07 +/- 3.17   0.362% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.17 +/- 2.58   0.350% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  11.43 +/- 2.20   0.528% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.12 +/- 3.00   0.073% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  17.40 +/- 2.23   0.126% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.60 +/- 3.00   0.064% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.89 +/- 0.13  87.844% * 99.2156% (1.00  10.0 10.00   4.97 186.77) =  99.990%  kept
          QD    LYS+  65 - HG3   LYS+  74   9.33 +/- 2.79   5.277% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG3   LYS+  74  10.77 +/- 2.48   2.616% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG3   LYS+  74  19.06 +/- 3.59   0.432% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HG3   LYS+  74  22.16 +/- 4.63   1.189% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  14.37 +/- 2.05   0.917% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  15.77 +/- 2.90   0.710% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  18.11 +/- 3.13   0.556% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  20.77 +/- 3.58   0.459% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.8:
    * O T QE    LYS+  74 - HG3   LYS+  74   3.07 +/- 0.43  87.978% * 99.7560% (1.00  10.0 10.00   4.00 186.77) =  99.993%  kept
          QB    CYS   50 - HG3   LYS+  74  12.32 +/- 3.32   2.642% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG3   LYS+  74   8.80 +/- 1.43   5.220% *  0.0308% (0.31   1.0  1.00   0.02   2.33) =   0.002%
          HB3   ASN   69 - HG3   LYS+  74  15.89 +/- 3.90   1.941% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HG3   LYS+  74  11.43 +/- 1.57   2.220% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.8:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.83 +/- 0.60  96.752% * 99.6012% (0.80 10.00   5.91 186.77) =  99.997%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.61 +/- 2.29   0.649% *  0.2184% (0.18 10.00   0.02   0.02) =   0.001%
          HA    THR   94 - HD2   LYS+  74  13.16 +/- 2.24   1.250% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  14.47 +/- 2.42   0.906% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  26.24 +/- 2.28   0.157% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.57 +/- 1.97   0.285% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.7:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.43 +/- 0.37  70.647% * 98.0482% (0.80  10.0 10.00   6.31 186.77) =  99.965%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  10.39 +/- 3.12   2.233% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.018%
          HG    LEU   67 - HD2   LYS+  74  10.18 +/- 3.68   7.870% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  115 - HD2   LYS+  74  14.80 +/- 3.48   2.538% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HD2   LYS+  74  11.96 +/- 4.63   2.503% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.75 +/- 2.62   0.283% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - QD    LYS+  38  17.37 +/- 6.31   0.970% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  13.87 +/- 2.42   0.707% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  17.83 +/- 3.18   0.311% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   8.43 +/- 0.90   2.535% *  0.0241% (0.20   1.0  1.00   0.02   0.99) =   0.001%
          HB3   LEU  115 - HD2   LYS+  74  14.52 +/- 3.47   2.756% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  19.44 +/- 3.29   0.269% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  16.84 +/- 2.41   0.335% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  13.88 +/- 1.91   0.750% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.02 +/- 1.68   3.327% *  0.0047% (0.04   1.0  1.00   0.02   0.99) =   0.000%
          QB    ALA  120 - QD    LYS+  38  16.93 +/- 5.28   0.580% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.86 +/- 1.91   0.544% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  21.68 +/- 3.82   0.175% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.68 +/- 2.59   0.480% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  21.33 +/- 3.25   0.187% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.16 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.888, support = 5.53, residual support = 190.3:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.82 +/- 0.18  30.608% * 88.7591% (1.00  10.0 10.00   5.54 186.77) =  87.868%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.14  54.915% *  6.6394% (0.07  10.0 10.00   5.56 220.94) =  11.792%  kept
          QG2   THR   39 - QD    LYS+  38   6.16 +/- 0.95   4.085% *  2.2208% (0.13   1.0  1.00   3.76  29.75) =   0.293%  kept
        T HG3   LYS+  99 - QD    LYS+  38  10.00 +/- 3.37   4.222% *  0.1942% (0.22   1.0 10.00   0.02   0.02) =   0.027%
        T HG3   LYS+ 111 - HD2   LYS+  74  20.13 +/- 4.23   0.711% *  0.3331% (0.38   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  99 - HD2   LYS+  74  20.52 +/- 2.81   0.103% *  0.8856% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HD2   LYS+  74  12.77 +/- 6.93   0.941% *  0.0819% (0.92   1.0  1.00   0.02   7.89) =   0.002%
          HG    LEU   71 - HD2   LYS+  74  12.92 +/- 1.63   0.375% *  0.0886% (1.00   1.0  1.00   0.02   1.18) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  13.70 +/- 2.92   0.514% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  18.74 +/- 3.13   0.134% *  0.1946% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  21.30 +/- 2.31   0.079% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  12.63 +/- 2.39   0.444% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.30 +/- 2.21   1.121% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  11.03 +/- 2.34   1.046% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+  74  16.46 +/- 1.95   0.169% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.88 +/- 3.04   0.285% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.57 +/- 2.88   0.040% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.65 +/- 2.05   0.063% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.43 +/- 3.87   0.045% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.25 +/- 2.44   0.100% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.992, support = 4.96, residual support = 184.9:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.89 +/- 0.13  50.828% * 93.1041% (1.00  10.0 10.00   4.97 186.77) =  98.809%  kept
          HB    VAL   75 - HD2   LYS+  74   5.62 +/- 0.73   8.885% *  6.1827% (0.31   1.0  1.00   4.30  31.73) =   1.147%  kept
          QD1   LEU   67 - HD2   LYS+  74   7.52 +/- 2.96  17.616% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.032%
          QD2   LEU   40 - QD    LYS+  38   7.51 +/- 1.77   9.247% *  0.0183% (0.20   1.0  1.00   0.02   0.99) =   0.004%
          QD2   LEU   40 - HD2   LYS+  74  12.13 +/- 2.03   0.985% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HD2   LYS+  74  10.34 +/- 1.14   1.193% *  0.0640% (0.69   1.0  1.00   0.02   1.18) =   0.002%
          QD2   LEU   71 - QD    LYS+  38   8.93 +/- 2.28   4.967% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.06 +/- 3.59   0.239% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HD2   LYS+  74  15.40 +/- 1.80   0.408% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  13.64 +/- 2.22   0.712% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  15.17 +/- 2.43   0.458% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    LYS+  38  13.13 +/- 2.56   1.000% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.37 +/- 2.16   0.954% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.69 +/- 2.33   1.168% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.49 +/- 5.08   1.007% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  17.49 +/- 2.58   0.332% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.23 +/- 0.06  90.951% * 99.4851% (1.00  10.0 10.00   4.97 186.77) =  99.996%  kept
          QB    CYS   50 - HD2   LYS+  74  11.84 +/- 3.91   1.475% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HD2   LYS+  74  15.60 +/- 3.34   0.753% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.54 +/- 0.85   1.832% *  0.0307% (0.31   1.0  1.00   0.02   2.33) =   0.001%
        T QE    LYS+  74 - QD    LYS+  38  17.28 +/- 2.27   0.237% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - QD    LYS+  38  10.95 +/- 3.15   3.039% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  10.95 +/- 1.38   0.917% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  13.29 +/- 2.48   0.636% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  24.21 +/- 2.60   0.083% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  25.58 +/- 2.94   0.079% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.8:
    *   T HA    LYS+  74 - QE    LYS+  74   2.78 +/- 0.60  95.977% * 99.8966% (0.80 10.00   4.93 186.77) =  99.998%  kept
          HA    THR   94 - QE    LYS+  74  11.06 +/- 2.28   2.368% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  12.12 +/- 2.05   1.655% *  0.0278% (0.22  1.00   0.02   0.02) =   0.000%
    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 = 186.7:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.26 +/- 0.70  57.952% * 99.4757% (0.80 10.00   4.62 186.77) =  99.964%  kept
          HG2   LYS+  65 - QE    LYS+  74   9.16 +/- 3.17  13.093% *  0.0557% (0.45  1.00   0.02   0.02) =   0.013%
          HG    LEU   67 - QE    LYS+  74   9.20 +/- 2.95  11.277% *  0.0310% (0.25  1.00   0.02   0.02) =   0.006%
          QG2   THR   26 - QE    LYS+  74  11.33 +/- 3.81   5.197% *  0.0654% (0.53  1.00   0.02   0.02) =   0.006%
          HG    LEU  115 - QE    LYS+  74  12.64 +/- 3.11   3.156% *  0.0853% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - QE    LYS+  74  12.68 +/- 1.84   1.352% *  0.1114% (0.90  1.00   0.02   0.02) =   0.003%
          HB3   LEU  115 - QE    LYS+  74  12.38 +/- 3.20   5.300% *  0.0218% (0.18  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QE    LYS+  74  14.83 +/- 1.91   0.883% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  16.54 +/- 2.29   0.631% *  0.0466% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.68 +/- 1.44   1.158% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.30 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 186.7:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.55 +/- 0.49  84.772% * 99.1206% (1.00  10.0 10.00   4.53 186.77) =  99.978%  kept
        T HG3   LYS+ 111 - QE    LYS+  74  17.30 +/- 3.94   2.760% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.012%
          HG13  ILE   19 - QE    LYS+  74  11.92 +/- 6.05   3.228% *  0.0915% (0.92   1.0  1.00   0.02   7.89) =   0.004%
          HG    LEU   71 - QE    LYS+  74  11.97 +/- 1.59   1.570% *  0.0989% (1.00   1.0  1.00   0.02   1.18) =   0.002%
          QB    ALA   91 - QE    LYS+  74  10.69 +/- 1.94   1.926% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  74  12.58 +/- 2.28   1.311% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QE    LYS+  74   9.22 +/- 2.10   3.175% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+  74  18.50 +/- 2.09   0.376% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  14.13 +/- 1.99   0.637% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.61 +/- 1.64   0.247% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.981, support = 4.0, residual support = 182.6:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.07 +/- 0.43  52.627% * 93.7894% (1.00  10.0 10.00   4.00 186.77) =  97.317%  kept
          HB    VAL   75 - QE    LYS+  74   4.81 +/- 1.00  23.140% *  5.7953% (0.31   1.0  1.00   4.00  31.73) =   2.644%  kept
          QD1   LEU   67 - QE    LYS+  74   6.77 +/- 2.39  18.249% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.031%
          QD2   LEU   71 - QE    LYS+  74   9.64 +/- 1.07   1.935% *  0.0644% (0.69   1.0  1.00   0.02   1.18) =   0.002%
          QD2   LEU   40 - QE    LYS+  74  11.07 +/- 1.57   1.282% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    LYS+  74  13.60 +/- 1.63   0.754% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QE    LYS+  74  11.96 +/- 1.72   1.215% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QE    LYS+  74  13.40 +/- 2.19   0.797% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.23 +/- 0.06  87.395% * 99.2156% (1.00  10.0 10.00   4.97 186.77) =  99.990%  kept
          QD    LYS+  65 - QE    LYS+  74   8.41 +/- 2.76   6.866% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   57 - QE    LYS+  74   9.01 +/- 2.18   3.223% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QE    LYS+  74  17.28 +/- 2.27   0.227% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - QE    LYS+  74  18.61 +/- 3.77   0.618% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  11.76 +/- 1.68   0.692% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  14.67 +/- 3.03   0.417% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.69 +/- 2.26   0.356% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.40 +/- 2.39   0.206% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 3.44, residual support = 82.3:
    * O T HB    VAL   75 - HA    VAL   75   2.82 +/- 0.21  80.110% * 93.6694% (1.00  10.0 10.00   3.44  82.64) =  99.302%  kept
          HG3   LYS+  74 - HA    VAL   75   6.07 +/- 0.50   8.970% *  5.7882% (0.31   1.0  1.00   4.00  31.73) =   0.687%  kept
          QD1   LEU   67 - HA    VAL   75   8.58 +/- 1.98   6.977% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T QD1   ILE  119 - HA    VAL   75  13.17 +/- 1.54   0.884% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   40 - HA    VAL   75  11.49 +/- 1.66   1.474% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    VAL   75  13.38 +/- 1.72   0.932% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  17.34 +/- 2.62   0.651% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.6:
    * O T QG1   VAL   75 - HA    VAL   75   2.81 +/- 0.28  97.440% * 99.9055% (1.00  10.0 10.00   4.00  82.64) =  99.998%  kept
          QD1   LEU  115 - HA    VAL   75  12.32 +/- 2.32   2.560% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 82.5:
    * O T QG2   VAL   75 - HA    VAL   75   2.23 +/- 0.26  93.796% * 97.2755% (1.00  10.0 10.00   4.00  82.64) =  99.815%  kept
          QG2   VAL   42 - HA    VAL   75   8.58 +/- 1.84   6.204% *  2.7245% (0.97   1.0  1.00   0.58   0.02) =   0.185%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.6:
    * O T HA    VAL   75 - HB    VAL   75   2.82 +/- 0.21  87.708% * 99.7003% (1.00  10.0 10.00   3.44  82.64) =  99.995%  kept
          HA    ALA   61 - HB    VAL   75   9.13 +/- 2.22   9.612% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  119 - HB    VAL   75  14.17 +/- 2.10   0.839% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    VAL   75  13.88 +/- 2.58   1.200% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.44 +/- 3.80   0.641% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.6:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  98.747% * 99.9055% (1.00  10.0 10.00   3.44  82.64) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75  10.62 +/- 1.96   1.253% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.5:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  86.104% * 99.0442% (1.00  10.0 10.00   3.31  82.64) =  99.844%  kept
        T QG2   VAL   42 - HB    VAL   75   7.08 +/- 1.77  13.896% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.156%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.6:
    * O T HA    VAL   75 - QG1   VAL   75   2.81 +/- 0.28  88.733% * 99.6578% (1.00  10.0 10.00   4.00  82.64) =  99.981%  kept
        T HA    ALA   61 - QG1   VAL   75   8.61 +/- 1.89   6.704% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.017%
          HD3   PRO   58 - QG1   VAL   75  11.85 +/- 2.55   2.037% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - QG1   VAL   75  12.75 +/- 1.75   1.194% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.07 +/- 2.75   1.333% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 82.5:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  88.677% * 94.0159% (1.00  10.0 10.00   3.44  82.64) =  99.790%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.81 +/- 0.56   2.965% *  5.7876% (0.31   1.0  1.00   3.99  31.73) =   0.205%  kept
          QD1   LEU   67 - QG1   VAL   75   7.68 +/- 1.39   4.039% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG1   VAL   75   9.58 +/- 1.62   1.542% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75  10.03 +/- 1.48   1.001% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  10.38 +/- 1.43   0.922% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  13.41 +/- 2.46   0.853% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 82.4:
    * O T QG2   VAL   75 - QG1   VAL   75   2.05 +/- 0.06  89.913% * 97.2722% (1.00  10.0 10.00   4.00  82.64) =  99.686%  kept
          QG2   VAL   42 - QG1   VAL   75   6.77 +/- 1.38  10.087% *  2.7278% (0.97   1.0  1.00   0.58   0.02) =   0.314%  kept
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.6:
    * O T HA    VAL   75 - QG2   VAL   75   2.23 +/- 0.26  93.302% * 99.8572% (1.00  10.0 10.00   4.00  82.64) =  99.997%  kept
          HD3   PRO   58 - QG2   VAL   75  12.98 +/- 2.60   1.573% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   61 - QG2   VAL   75   9.04 +/- 2.14   3.878% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG2   VAL   75  12.82 +/- 2.11   0.696% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.58 +/- 3.09   0.551% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.31, residual support = 82.5:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  88.658% * 94.0137% (1.00  10.0 10.00   3.31  82.64) =  99.785%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.65 +/- 0.46   3.032% *  5.7898% (0.31   1.0  1.00   3.99  31.73) =   0.210%  kept
          QD1   LEU   67 - QG2   VAL   75   6.95 +/- 1.16   3.450% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG2   VAL   75   8.62 +/- 1.35   1.846% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG2   VAL   75   9.73 +/- 1.83   1.222% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  10.72 +/- 1.43   0.818% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.91 +/- 2.28   0.973% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.6:
    * O T QG1   VAL   75 - QG2   VAL   75   2.05 +/- 0.06  98.807% * 99.9055% (1.00  10.0 10.00   4.00  82.64) =  99.999%  kept
          QD1   LEU  115 - QG2   VAL   75   9.85 +/- 1.61   1.193% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.995, support = 2.86, residual support = 35.5:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.83 +/- 0.19  71.579% * 91.3008% (1.00  10.0 10.00   2.87  35.85) =  98.903%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.57 +/- 0.64  10.973% *  4.6432% (0.73   1.0  1.00   1.40   4.64) =   0.771%  kept
        T QE    LYS+  66 - HA    LEU   67   6.94 +/- 0.96   6.291% *  3.3349% (0.04   1.0 10.00   3.47  13.85) =   0.318%  kept
        T QE    LYS+  66 - HA    ASP-  76  15.90 +/- 3.08   1.219% *  0.2033% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          HB2   ASN   69 - HA    LEU   67   6.67 +/- 0.74   6.324% *  0.0147% (0.16   1.0  1.00   0.02   2.95) =   0.001%
        T HB2   ASP-  76 - HA    LEU   67  16.24 +/- 2.77   0.540% *  0.1498% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    ASP-  76  20.16 +/- 3.77   0.261% *  0.2033% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  15.27 +/- 3.87   1.462% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  76  19.13 +/- 2.38   0.261% *  0.0895% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  18.85 +/- 4.49   0.355% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.20 +/- 3.27   0.427% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  19.53 +/- 3.36   0.307% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 35.8:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.70 +/- 0.28  88.107% * 99.2676% (0.87  10.0 10.00   2.99  35.85) =  99.994%  kept
          HG3   MET   92 - HA    ASP-  76  12.80 +/- 3.79   1.780% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   ASP-  76 - HA    LEU   67  15.57 +/- 2.79   0.669% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  12.20 +/- 1.99   1.242% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  19.19 +/- 1.86   0.281% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  19.99 +/- 4.60   0.358% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  16.22 +/- 1.55   0.471% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  12.06 +/- 1.47   1.201% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.29 +/- 2.98   2.196% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  23.64 +/- 1.89   0.158% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  16.06 +/- 3.23   0.685% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  17.49 +/- 3.63   0.838% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.25 +/- 3.63   0.601% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  13.59 +/- 1.96   0.875% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  21.27 +/- 2.57   0.241% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  22.48 +/- 3.06   0.297% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 35.8:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.83 +/- 0.19  87.982% * 99.3094% (1.00  10.0 10.00   2.87  35.85) =  99.989%  kept
        T HA    LEU   67 - QE    LYS+  66   6.94 +/- 0.96   7.747% *  0.0515% (0.05   1.0 10.00   0.02  13.85) =   0.005%
        T HA    ASP-  76 - QE    LYS+  66  15.90 +/- 3.08   1.484% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU   67 - HB2   ASP-  76  16.24 +/- 2.77   0.665% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   67 - QE    LYS+  33  15.27 +/- 3.87   1.800% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  76 - QE    LYS+  33  20.16 +/- 3.77   0.322% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.86, residual support = 35.8:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  93.372% * 98.9845% (0.87  10.0 10.00   2.86  35.85) =  99.998%  kept
        T HB3   ASP-  76 - QE    LYS+  66  16.82 +/- 3.53   0.309% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   ASP-  76  14.40 +/- 4.22   0.359% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  33   7.12 +/- 1.40   2.289% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  20.06 +/- 4.31   0.087% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  20.00 +/- 5.52   0.103% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.71 +/- 2.15   0.222% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  11.24 +/- 2.82   0.634% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  18.13 +/- 4.20   0.335% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  11.21 +/- 3.27   0.827% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.20 +/- 1.77   0.056% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.30 +/- 1.98   0.327% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  18.62 +/- 1.53   0.085% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  24.61 +/- 2.18   0.037% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  17.70 +/- 3.01   0.146% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  20.78 +/- 3.60   0.094% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  21.29 +/- 3.97   0.084% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  17.21 +/- 2.65   0.156% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.68 +/- 2.81   0.059% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.86 +/- 2.51   0.162% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  19.03 +/- 3.03   0.117% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.66 +/- 3.29   0.036% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  22.55 +/- 2.94   0.059% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  25.54 +/- 4.25   0.045% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 35.8:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.70 +/- 0.28  99.247% * 99.7513% (0.87  10.0 10.00   2.99  35.85) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  15.57 +/- 2.79   0.753% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.85, residual support = 35.8:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  91.436% * 97.7141% (0.87  10.0 10.00   2.86  35.85) =  99.844%  kept
          HB2   ASP-  78 - HB3   ASP-  76   5.49 +/- 1.68   7.950% *  1.7400% (0.63   1.0  1.00   0.49   4.64) =   0.155%  kept
        T QE    LYS+  66 - HB3   ASP-  76  16.82 +/- 3.53   0.303% *  0.2175% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  20.06 +/- 4.31   0.085% *  0.2175% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  19.87 +/- 2.93   0.084% *  0.0958% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  18.22 +/- 5.39   0.141% *  0.0151% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 2.99, residual support = 37.2:
    * O T HB    THR   77 - HA    THR   77   2.63 +/- 0.16  81.638% * 93.3989% (1.00  10.0 10.00   3.00  37.47) =  99.308%  kept
          HA    GLU-  79 - HA    THR   77   6.04 +/- 0.59   8.749% *  6.0069% (0.69   1.0  1.00   1.87   0.02) =   0.685%  kept
          HA    ASP-  44 - HA    THR   77   8.96 +/- 2.27   2.829% *  0.0926% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77  11.31 +/- 2.09   1.350% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HA    THR   77  14.60 +/- 4.29   2.907% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HA    THR   77  12.39 +/- 1.96   0.952% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.44 +/- 2.70   0.296% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  15.82 +/- 3.89   0.566% *  0.0455% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  28.59 +/- 7.13   0.149% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  20.43 +/- 1.93   0.201% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.02 +/- 6.23   0.210% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  27.16 +/- 6.74   0.153% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T QG2   THR   77 - HA    THR   77   2.42 +/- 0.32  96.832% * 99.7982% (1.00  10.0 10.00   3.00  37.47) =  99.998%  kept
          QB    ALA   88 - HA    THR   77  11.14 +/- 1.79   1.661% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    THR   77  15.57 +/- 4.58   0.656% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  24.56 +/- 2.37   0.182% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  18.22 +/- 3.88   0.508% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  22.58 +/- 2.14   0.161% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - HB    THR   77   2.63 +/- 0.16  89.401% * 99.9104% (1.00  10.0 10.00   3.00  37.47) =  99.995%  kept
          HD2   PRO   93 - HB    THR   77   9.06 +/- 3.70  10.053% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          HB2   TRP   27 - HB    THR   77  16.83 +/- 4.49   0.546% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  98.029% * 99.5496% (1.00  10.0 10.00   2.71  37.47) =  99.998%  kept
        T QG2   THR   23 - HB    THR   77  16.64 +/- 3.89   0.313% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB    THR   77  10.52 +/- 1.60   1.068% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB    THR   77  16.97 +/- 3.81   0.421% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  26.05 +/- 2.93   0.084% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  23.57 +/- 2.29   0.084% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - QG2   THR   77   2.42 +/- 0.32  77.821% * 99.9104% (1.00  10.0 10.00   3.00  37.47) =  99.987%  kept
          HD2   PRO   93 - QG2   THR   77   6.99 +/- 3.06  21.438% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.012%
          HB2   TRP   27 - QG2   THR   77  13.39 +/- 3.41   0.741% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.3:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  84.647% * 92.3639% (1.00  10.0 10.00   2.71  37.47) =  99.539%  kept
          HA    ASP-  44 - QG2   THR   77   6.21 +/- 1.58   5.046% *  7.0765% (0.99   1.0  1.00   1.55   0.02) =   0.455%  kept
          HA    GLU-  79 - QG2   THR   77   6.89 +/- 0.70   3.017% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77  10.00 +/- 1.77   1.212% *  0.0924% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   77  10.45 +/- 3.54   3.440% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   THR   77  11.57 +/- 3.17   0.972% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG2   THR   77  14.84 +/- 1.89   0.305% *  0.0905% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  11.14 +/- 1.63   0.744% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  24.20 +/- 5.21   0.137% *  0.0905% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  16.94 +/- 1.79   0.211% *  0.0560% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  23.02 +/- 4.69   0.117% *  0.0380% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  21.11 +/- 4.19   0.153% *  0.0285% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.4, residual support = 39.3:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.91 +/- 0.16  82.196% * 95.6195% (1.00  10.0 10.00   3.42  39.54) =  99.368%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.78 +/- 0.53  11.989% *  4.1555% (0.73   1.0  1.00   1.20   4.64) =   0.630%  kept
          QE    LYS+  65 - HA    ASP-  78  16.92 +/- 4.84   3.198% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  11.05 +/- 1.69   1.965% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  22.38 +/- 5.69   0.312% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  24.53 +/- 3.91   0.176% *  0.0619% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  24.39 +/- 2.96   0.165% *  0.0580% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.5:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.62 +/- 0.20  95.289% * 99.8720% (1.00  10.0 10.00   2.31  39.54) =  99.998%  kept
          QE    LYS+  74 - HA    ASP-  78  10.08 +/- 1.40   2.150% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    ASP-  78  11.21 +/- 3.41   2.240% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  23.99 +/- 3.01   0.165% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  23.03 +/- 1.80   0.156% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.41, residual support = 39.4:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.91 +/- 0.16  85.938% * 97.0309% (1.00  10.0 10.00   3.42  39.54) =  99.630%  kept
          HA    LEU   80 - HB2   ASP-  78   6.67 +/- 1.26  10.852% *  2.8369% (0.49   1.0  1.00   1.20   7.12) =   0.368%  kept
          HA    THR   23 - HB2   ASP-  78  17.06 +/- 7.27   1.853% *  0.0842% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB2   ASP-  78  18.82 +/- 7.30   1.182% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  23.96 +/- 1.97   0.174% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 39.5:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  97.738% * 99.8720% (1.00  10.0 10.00   2.81  39.54) =  99.999%  kept
          QB    CYS   50 - HB2   ASP-  78  10.71 +/- 3.50   1.242% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78   9.09 +/- 1.25   0.925% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  23.64 +/- 3.01   0.050% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  23.20 +/- 1.97   0.046% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.5:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.62 +/- 0.20  89.719% * 99.8154% (1.00  10.0 10.00   2.31  39.54) =  99.994%  kept
          HA    LEU   80 - HB3   ASP-  78   7.30 +/- 1.32   7.784% *  0.0486% (0.49   1.0  1.00   0.02   7.12) =   0.004%
          HA    THR   23 - HB3   ASP-  78  17.14 +/- 6.96   1.477% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB3   ASP-  78  18.89 +/- 6.98   0.885% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.66 +/- 1.88   0.134% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 2.81, residual support = 39.5:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  90.322% * 96.1905% (1.00  10.0 10.00   2.81  39.54) =  99.771%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.26 +/- 1.12   5.519% *  3.5832% (0.73   1.0  1.00   1.03   4.64) =   0.227%  kept
          QE    LYS+  65 - HB3   ASP-  78  15.88 +/- 4.88   3.665% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HB3   ASP-  78  12.71 +/- 1.96   0.333% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  22.22 +/- 5.48   0.072% *  0.0506% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  24.02 +/- 3.35   0.047% *  0.0583% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  24.10 +/- 4.08   0.043% *  0.0622% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 56.6:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.98 +/- 0.16  94.430% * 98.4729% (1.00  10.0 10.00   4.40  56.62) =  99.993%  kept
          HG2   MET   92 - HA    GLU-  79  14.69 +/- 4.08   2.693% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLU-  36 - HA    GLU-  79  28.11 +/- 3.51   0.134% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  25.37 +/- 6.98   0.376% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  79  16.75 +/- 4.48   0.925% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  20.42 +/- 7.96   1.055% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.21 +/- 2.29   0.387% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.6:
    * O T QG    GLU-  79 - HA    GLU-  79   2.40 +/- 0.22  99.206% * 99.7507% (1.00  10.0 10.00   3.52  56.62) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  22.61 +/- 4.78   0.184% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  19.70 +/- 1.76   0.211% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  24.02 +/- 2.75   0.133% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  21.15 +/- 2.07   0.178% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  26.93 +/- 2.99   0.088% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.39, residual support = 56.5:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.98 +/- 0.16  87.011% * 97.2377% (1.00  10.0 10.00   4.40  56.62) =  99.816%  kept
          HB    THR   77 - HB2   GLU-  79   7.24 +/- 0.65   6.737% *  2.2485% (0.69   1.0  1.00   0.67   0.02) =   0.179%  kept
          HA    SER   85 - HB2   GLU-  79  12.41 +/- 1.99   1.989% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB2   GLU-  79  12.21 +/- 2.32   1.698% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLU-  79  17.47 +/- 4.29   1.058% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  18.10 +/- 3.18   0.520% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   GLU-  79  21.35 +/- 2.75   0.288% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  20.98 +/- 3.51   0.339% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  27.82 +/- 7.94   0.360% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.6:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.28 +/- 0.11  99.254% * 99.7507% (1.00  10.0 10.00   3.52  56.62) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  21.98 +/- 5.12   0.169% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.68 +/- 2.39   0.203% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  19.93 +/- 2.96   0.175% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  23.37 +/- 2.86   0.117% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  25.64 +/- 3.52   0.082% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.6:
    * O T HA    GLU-  79 - QG    GLU-  79   2.40 +/- 0.22  92.655% * 99.4064% (1.00  10.0 10.00   3.52  56.62) =  99.994%  kept
          HB    THR   77 - QG    GLU-  79   8.10 +/- 0.52   2.668% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG    GLU-  79  11.90 +/- 2.04   1.965% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  12.26 +/- 1.89   0.905% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG    GLU-  79  16.64 +/- 3.62   0.538% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.95 +/- 2.92   0.364% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  19.61 +/- 2.82   0.259% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  24.79 +/- 7.52   0.404% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  19.71 +/- 3.14   0.243% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.6:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.28 +/- 0.11  96.209% * 99.5443% (1.00  10.0 10.00   3.52  56.62) =  99.997%  kept
          HG2   MET   92 - QG    GLU-  79  14.21 +/- 4.05   1.773% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  25 - QG    GLU-  79  17.91 +/- 7.42   0.908% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QG    GLU-  79  16.19 +/- 3.87   0.437% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  18.53 +/- 2.58   0.267% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  24.37 +/- 3.90   0.100% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  22.12 +/- 6.63   0.305% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.69, residual support = 86.0:
    *   T QD1   LEU   80 - HA    LEU   80   2.56 +/- 0.65  92.000% * 98.6414% (0.65 10.00   5.69  86.01) =  99.978%  kept
        T QD2   LEU   98 - HA    LEU   80  16.08 +/- 4.65   1.483% *  0.9864% (0.65 10.00   0.02   0.02) =   0.016%
          QD1   LEU   73 - HA    LEU   80  12.66 +/- 3.36   3.637% *  0.0520% (0.34  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU   80  17.12 +/- 3.49   1.001% *  0.1408% (0.92  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HA    LEU   80  14.82 +/- 3.71   1.078% *  0.1274% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    LEU   80  16.75 +/- 3.47   0.800% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.37, residual support = 85.8:
    * O   HA    LEU   80 - HB2   LEU   80   2.78 +/- 0.18  86.962% * 97.0914% (1.00  10.0   5.38  86.01) =  99.759%  kept
          HA    ASP-  78 - HB2   LEU   80   6.73 +/- 0.69   7.494% *  2.6629% (0.49   1.0   1.13   7.12) =   0.236%  kept
          HA    THR   23 - HB2   LEU   80  16.63 +/- 8.69   3.628% *  0.0777% (0.80   1.0   0.02   0.25) =   0.003%
          HB    THR   23 - HB2   LEU   80  18.45 +/- 8.61   1.616% *  0.0937% (0.97   1.0   0.02   0.25) =   0.002%
          HA    ASP- 105 - HB2   LEU   80  22.04 +/- 4.92   0.299% *  0.0742% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.95, residual support = 86.0:
    * O T QD1   LEU   80 - HB2   LEU   80   2.99 +/- 0.41  90.286% * 97.5236% (0.65  10.0 10.00   4.95  86.01) =  99.941%  kept
        T QG2   VAL   41 - HB2   LEU   80  13.67 +/- 4.09   2.099% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.030%
        T QD2   LEU   98 - HB2   LEU   80  14.98 +/- 5.06   2.210% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.024%
          QD1   LEU   73 - HB2   LEU   80  12.06 +/- 3.56   3.251% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   LEU   80  16.17 +/- 3.78   0.902% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   LEU   80  15.75 +/- 3.76   1.252% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.09 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.646, support = 5.68, residual support = 85.8:
    *   T HA    LEU   80 - QD1   LEU   80   2.56 +/- 0.65  72.191% * 97.2209% (0.65 10.00   5.69  86.01) =  99.759%  kept
          HA    ASP-  78 - QD1   LEU   80   7.01 +/- 0.75   8.330% *  1.8077% (0.31  1.00   0.76   7.12) =   0.214%  kept
        T HA    LEU   80 - QD2   LEU   98  16.08 +/- 4.65   1.128% *  0.5573% (0.37 10.00   0.02   0.02) =   0.009%
          HA    THR   23 - QD1   LEU   80  14.43 +/- 8.37   8.002% *  0.0778% (0.52  1.00   0.02   0.25) =   0.009%
          HB    THR   23 - QD1   LEU   80  15.85 +/- 8.38   3.537% *  0.0938% (0.62  1.00   0.02   0.25) =   0.005%
          HA    ASP- 105 - QD2   LEU   98   8.47 +/- 1.42   4.685% *  0.0426% (0.28  1.00   0.02   6.78) =   0.003%
          HA    ASP- 105 - QD1   LEU   80  19.17 +/- 5.13   0.476% *  0.0743% (0.49  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  16.50 +/- 3.18   0.537% *  0.0538% (0.36  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  15.90 +/- 3.36   0.585% *  0.0446% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  17.11 +/- 2.68   0.530% *  0.0271% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 111.1:
    * O T QB    LYS+  81 - HA    LYS+  81   2.38 +/- 0.15  91.030% * 97.5498% (1.00  10.0 10.00   5.17 111.15) =  99.963%  kept
        T HG2   ARG+  54 - HA    LYS+  81  19.35 +/- 4.95   3.261% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.031%
          HB3   GLN   90 - HA    LYS+  81   9.76 +/- 1.93   2.080% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  81  25.41 +/- 4.56   0.184% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - HA    LYS+  81  17.46 +/- 3.96   0.368% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    LYS+  81  12.24 +/- 3.52   1.279% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  17.68 +/- 2.75   0.302% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  18.88 +/- 3.71   0.329% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  22.30 +/- 3.57   0.157% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  24.31 +/- 5.14   0.132% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  23.62 +/- 2.90   0.109% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  21.69 +/- 6.42   0.258% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  22.96 +/- 6.14   0.374% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.73 +/- 2.53   0.057% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  28.61 +/- 4.76   0.080% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 111.1:
    * O T QG    LYS+  81 - HA    LYS+  81   2.51 +/- 0.56  96.977% * 98.1658% (1.00  10.0 10.00   5.22 111.15) =  99.995%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  20.63 +/- 3.73   0.303% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - HA    LYS+  81  26.27 +/- 6.11   0.195% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HA    LYS+  81  14.45 +/- 2.41   2.187% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+  81  20.87 +/- 3.55   0.339% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.08 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.1:
    *   T QD    LYS+  81 - HA    LYS+  81   3.76 +/- 0.53  96.190% * 99.7569% (1.00 10.00   3.44 111.15) =  99.996%  kept
          HB    VAL   43 - HA    LYS+  81  14.21 +/- 2.95   2.780% *  0.0989% (0.99  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HA    LYS+  81  25.26 +/- 3.45   0.397% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  26.11 +/- 8.37   0.634% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.1:
    *   T QE    LYS+  81 - HA    LYS+  81   3.75 +/- 0.56  95.895% * 99.9825% (1.00 10.00   3.44 111.15) =  99.999%  kept
          HB3   TRP   49 - HA    LYS+  81  15.58 +/- 3.96   4.105% *  0.0175% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 111.1:
    * O T HA    LYS+  81 - QB    LYS+  81   2.38 +/- 0.15  92.833% * 98.7606% (1.00  10.0 10.00   5.17 111.15) =  99.986%  kept
        T HA    ARG+  54 - QB    LYS+  81  18.01 +/- 4.59   1.521% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.011%
        T HA    ARG+  54 - HB3   PRO   52   7.56 +/- 0.28   3.013% *  0.0733% (0.07   1.0 10.00   0.02   1.93) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  17.46 +/- 3.96   0.376% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  20.51 +/- 3.15   0.194% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  14.39 +/- 2.33   0.540% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  22.20 +/- 5.17   0.557% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  19.75 +/- 7.36   0.485% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  28.36 +/- 4.34   0.069% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  30.54 +/- 4.85   0.060% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.83 +/- 2.44   0.175% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  27.25 +/- 2.26   0.066% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.45 +/- 1.65   0.032% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  26.99 +/- 3.58   0.077% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 111.1:
    * O T QG    LYS+  81 - QB    LYS+  81   2.08 +/- 0.02  92.492% * 97.8497% (1.00  10.0 10.00   5.46 111.15) =  99.996%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  19.96 +/- 3.43   0.147% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QB    LYS+  81  24.21 +/- 6.18   0.097% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  16.48 +/- 3.52   0.313% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  13.87 +/- 2.79   1.398% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  19.83 +/- 3.60   0.178% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  12.21 +/- 4.32   4.868% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  20.11 +/- 3.68   0.176% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  30.02 +/- 2.97   0.034% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  16.57 +/- 3.82   0.298% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 111.1:
    * O T QD    LYS+  81 - QB    LYS+  81   2.11 +/- 0.15  98.643% * 99.6151% (1.00  10.0 10.00   3.94 111.15) =  99.999%  kept
          HB    VAL   43 - QB    LYS+  81  14.13 +/- 2.86   0.536% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HB3   PRO   52  17.14 +/- 3.52   0.258% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.81 +/- 3.50   0.087% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  24.15 +/- 8.05   0.168% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.76 +/- 1.39   0.186% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.96 +/- 2.55   0.067% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  27.54 +/- 5.37   0.055% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 111.1:
    *     QE    LYS+  81 - QB    LYS+  81   3.03 +/- 0.55  94.356% * 99.8427% (1.00   3.94 111.15) =  99.998%  kept
          HB3   TRP   49 - QB    LYS+  81  14.88 +/- 3.84   1.445% *  0.0889% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  81 - HB3   PRO   52  16.41 +/- 3.49   1.048% *  0.0582% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52  10.12 +/- 0.64   3.150% *  0.0102% (0.02   0.02   3.03) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 111.1:
    * O T HA    LYS+  81 - QG    LYS+  81   2.51 +/- 0.56  75.052% * 98.8267% (1.00  10.0 10.00   5.22 111.15) =  99.988%  kept
          HA    ALA  124 - HG2   LYS+  33  20.08 +/- 7.93   8.319% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  36 - HG2   LYS+  33   8.26 +/- 0.89   3.951% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HA    ARG+  54 - QG    LYS+  81  17.48 +/- 4.24   2.233% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+  33  26.27 +/- 6.11   0.151% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG2   LYS+ 106  20.63 +/- 3.73   0.235% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG2   LYS+  33   9.02 +/- 0.80   2.314% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  19.56 +/- 7.00   1.090% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  21.42 +/- 5.12   0.857% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  28.12 +/- 4.08   0.109% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.14 +/- 2.01   3.085% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  30.01 +/- 4.75   0.097% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.56 +/- 3.94   0.453% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  21.64 +/- 4.44   0.325% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.17 +/- 2.82   0.309% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  22.39 +/- 2.10   0.178% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.77 +/- 4.26   0.402% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  27.52 +/- 3.48   0.079% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  21.76 +/- 2.44   0.171% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  18.50 +/- 4.25   0.326% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  21.66 +/- 3.30   0.266% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.787, support = 5.49, residual support = 124.1:
    * O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.02  34.501% * 56.3322% (1.00  10.0 10.00   5.46 111.15) =  65.198%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.09  27.472% * 26.0287% (0.46  10.0 10.00   5.62 154.56) =  23.988%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.12  25.734% * 12.3671% (0.22  10.0 10.00   5.38 135.64) =  10.676%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.34 +/- 0.74   1.441% *  2.6159% (0.20   1.0  1.00   4.71  23.78) =   0.126%  kept
          HG2   ARG+  54 - QG    LYS+  81  17.98 +/- 4.71   1.516% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - QG    LYS+  81  17.22 +/- 2.38   0.074% *  0.5621% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG    LYS+  81  10.18 +/- 2.18   0.580% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   6.06 +/- 1.99   2.809% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  22.07 +/- 5.11   0.047% *  0.5436% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.86 +/- 0.99   2.053% *  0.0101% (0.18   1.0  1.00   0.02   0.51) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.26 +/- 2.01   0.059% *  0.2691% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  33  16.72 +/- 4.78   0.636% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.48 +/- 3.52   0.121% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  24.21 +/- 6.18   0.035% *  0.2697% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.79 +/- 3.78   0.201% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  19.96 +/- 3.43   0.054% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.36 +/- 1.79   0.055% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.11 +/- 1.75   0.423% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.51 +/- 3.00   0.257% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  16.76 +/- 2.81   0.149% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.29 +/- 4.50   0.244% *  0.0108% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  17.14 +/- 3.21   0.105% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.24 +/- 4.17   0.047% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  21.28 +/- 3.16   0.040% *  0.0471% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.87 +/- 6.18   0.087% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.16 +/- 6.04   0.227% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.46 +/- 2.77   0.032% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  19.83 +/- 3.60   0.065% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.68 +/- 2.66   0.097% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.14 +/- 3.40   0.067% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.33 +/- 2.42   0.019% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.60 +/- 2.38   0.049% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  20.91 +/- 6.12   0.134% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  30.02 +/- 2.97   0.013% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.19 +/- 2.90   0.023% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.95 +/- 4.88   0.016% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.33 +/- 1.29   0.115% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.28 +/- 3.64   0.015% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  26.22 +/- 5.07   0.040% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.88 +/- 2.84   0.073% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.15 +/- 2.15   0.043% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  19.31 +/- 3.99   0.111% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.57 +/- 3.48   0.021% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.09 +/- 3.28   0.074% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.31 +/- 3.43   0.028% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 111.1:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.02  94.403% * 98.8994% (1.00  10.0 10.00   4.08 111.15) =  99.997%  kept
          HB2   LYS+  99 - HG2   LYS+  33  12.27 +/- 3.52   1.399% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QG    LYS+  81  13.97 +/- 2.63   0.422% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  25.40 +/- 6.14   0.084% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  21.26 +/- 3.43   0.128% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+ 106   9.83 +/- 1.89   1.206% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.64 +/- 1.74   1.113% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.95 +/- 3.46   0.317% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.32 +/- 2.85   0.607% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.71 +/- 3.06   0.075% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  23.71 +/- 8.01   0.149% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.27 +/- 3.48   0.098% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 111.1:
    * O   QE    LYS+  81 - QG    LYS+  81   2.15 +/- 0.16  98.253% * 99.9005% (1.00  10.0   4.08 111.15) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  14.54 +/- 3.94   0.913% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  25.33 +/- 5.76   0.098% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  20.79 +/- 3.36   0.145% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.67 +/- 4.43   0.539% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.81 +/- 4.92   0.052% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.1:
    *   T HA    LYS+  81 - QD    LYS+  81   3.76 +/- 0.53  90.502% * 99.7133% (1.00 10.00   3.44 111.15) =  99.996%  kept
          HA    ARG+  54 - QD    LYS+  81  18.44 +/- 4.43   4.222% *  0.0645% (0.65  1.00   0.02   0.02) =   0.003%
          HA    ASN   28 - QD    LYS+  81  20.91 +/- 7.21   2.030% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.97 +/- 5.31   1.906% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  29.60 +/- 4.32   0.274% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  31.27 +/- 5.20   0.298% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.42 +/- 3.13   0.769% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 111.1:
    * O T QB    LYS+  81 - QD    LYS+  81   2.11 +/- 0.15  94.692% * 98.9997% (1.00  10.0 10.00   3.94 111.15) =  99.996%  kept
          HB3   GLN   90 - QD    LYS+  81  10.52 +/- 2.33   1.234% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD    LYS+  81  18.79 +/- 4.94   1.073% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - QD    LYS+  81  17.14 +/- 3.52   0.247% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  18.86 +/- 4.07   0.383% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  18.32 +/- 2.49   0.180% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  13.45 +/- 2.76   0.518% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  23.36 +/- 5.30   0.129% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  22.23 +/- 6.78   0.870% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  24.84 +/- 4.31   0.116% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  22.58 +/- 3.52   0.103% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  23.84 +/- 2.94   0.084% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  21.37 +/- 6.30   0.199% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  27.91 +/- 2.53   0.047% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  27.48 +/- 5.61   0.125% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 111.1:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.02  97.626% * 98.1658% (1.00  10.0 10.00   4.08 111.15) =  99.997%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  21.26 +/- 3.43   0.133% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  33 - QD    LYS+  81  25.40 +/- 6.14   0.086% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  14.50 +/- 3.22   2.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  20.87 +/- 3.73   0.154% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 111.1:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  99.331% * 99.9825% (1.00  10.0   3.00 111.15) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  15.19 +/- 4.01   0.669% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.1:
    *   T HA    LYS+  81 - QE    LYS+  81   3.75 +/- 0.56  88.793% * 99.7133% (1.00 10.00   3.44 111.15) =  99.995%  kept
          HA    ARG+  54 - QE    LYS+  81  17.80 +/- 4.03   4.660% *  0.0645% (0.65  1.00   0.02   0.02) =   0.003%
          HA    LYS+  66 - QE    LYS+  81  22.56 +/- 5.22   2.753% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  20.90 +/- 6.75   2.044% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  29.56 +/- 4.06   0.276% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  30.86 +/- 5.07   0.350% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.76 +/- 3.04   1.124% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.10 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.7:
    * O T HB2   SER   82 - HA    SER   82   2.64 +/- 0.22  83.314% * 97.1708% (0.95  10.0 10.00   2.96  34.71) =  99.975%  kept
        T HB2   SER   82 - HA    GLU-  25  21.17 +/-11.56   2.450% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.010%
        T HA    SER   48 - HA    SER   82  16.68 +/- 3.59   0.578% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   88 - HA    SER   82   8.29 +/- 0.79   2.919% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   7.05 +/- 0.56   4.871% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  24.05 +/- 6.06   0.222% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    SER   82  24.72 +/- 2.96   0.129% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  18.26 +/- 2.71   0.306% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    SER   82  19.40 +/- 3.86   0.546% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.37 +/- 0.95   1.195% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  25.84 +/- 9.29   0.296% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  14.26 +/- 2.16   0.787% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  25.31 +/- 9.57   0.220% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.64 +/- 1.13   0.701% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  27.16 +/- 8.36   0.203% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  24.79 +/- 5.42   0.697% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  28.92 +/- 7.22   0.120% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  26.10 +/- 7.93   0.225% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  26.22 +/- 3.50   0.120% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  27.55 +/- 4.46   0.101% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 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   2.94 +/- 0.17  76.441% * 98.8194% (1.00  10.0 10.00   2.00  34.71) =  99.978%  kept
        T HB3   SER   82 - HA    GLU-  25  20.93 +/-11.18   2.957% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.013%
          QB    SER   13 - HA    GLU-  25  14.72 +/- 5.84  11.942% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    SER   82  10.78 +/- 0.56   1.639% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  19.58 +/- 3.77   0.465% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.68 +/- 0.54   2.250% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    SER   82  20.02 +/- 4.16   0.514% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  25.33 +/- 7.69   0.299% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  22.64 +/- 5.85   1.655% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  27.66 +/- 7.29   0.183% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  26.49 +/- 3.64   0.135% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.08 +/- 1.90   0.378% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  25.70 +/- 3.86   0.143% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  18.16 +/- 1.80   0.382% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  28.83 +/- 4.40   0.110% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.42 +/- 3.75   0.181% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  25.23 +/- 6.26   0.225% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  28.81 +/- 4.51   0.102% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.7:
    * O T HA    SER   82 - HB2   SER   82   2.64 +/- 0.22  77.620% * 97.8439% (0.95  10.0 10.00   2.96  34.71) =  99.973%  kept
        T HA    GLU-  25 - HB2   SER   82  21.17 +/-11.56   2.318% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.018%
        T HA    SER   82 - HA    SER   48  16.68 +/- 3.59   0.546% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.004%
          HA    CYS   53 - HA    SER   48   9.40 +/- 2.82  13.465% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  25 - HA    SER   48  24.05 +/- 6.06   0.207% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  25 - HA    VAL   70  18.26 +/- 2.71   0.279% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  24.72 +/- 2.96   0.122% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - HA    SER   48  16.24 +/- 5.11   1.984% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  24.87 +/- 6.02   0.539% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  23.73 +/- 8.86   0.335% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  13.21 +/- 3.42   0.873% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  12.10 +/- 0.81   0.884% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  21.93 +/- 6.42   0.326% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.14 +/- 3.26   0.218% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  18.94 +/- 2.22   0.284% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.7:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  79.140% * 96.7159% (0.95  10.0 10.00   2.33  34.71) =  99.987%  kept
        T HB3   SER   37 - HA    VAL   70  10.59 +/- 2.76   1.147% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   PRO   52 - HA    SER   48   9.05 +/- 1.41   0.720% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB2   CYS   53 - HA    SER   48   7.48 +/- 2.26  14.826% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER   13 - HA    VAL   70  15.50 +/- 4.05   0.313% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   82 - HA    SER   48  17.09 +/- 3.24   0.133% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  21.36 +/- 3.70   0.069% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    VAL   70   8.56 +/- 1.77   1.126% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  12.94 +/- 3.55   0.503% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.53 +/- 0.51   0.220% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.09 +/- 3.14   0.718% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.36 +/- 2.85   0.039% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  23.83 +/- 2.19   0.034% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  24.12 +/- 8.63   0.105% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  26.62 +/- 7.82   0.048% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  13.15 +/- 3.13   0.342% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.40 +/- 4.26   0.037% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  27.69 +/- 5.13   0.030% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  26.29 +/- 5.13   0.036% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  24.60 +/- 4.87   0.050% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  23.62 +/- 4.07   0.064% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.09 +/- 3.05   0.033% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.57 +/- 3.18   0.068% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  19.43 +/- 2.56   0.071% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  24.70 +/- 4.00   0.036% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  27.58 +/- 3.31   0.024% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  19.32 +/- 2.45   0.069% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.7:
    * O T HA    SER   82 - HB3   SER   82   2.94 +/- 0.17  94.921% * 99.1601% (1.00  10.0 10.00   2.00  34.71) =  99.976%  kept
        T HA    GLU-  25 - HB3   SER   82  20.93 +/-11.18   3.627% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.023%
        T HA    CYS   53 - HB3   SER   82  20.53 +/- 3.41   0.371% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  23.24 +/- 8.66   0.461% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  24.19 +/- 5.59   0.620% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.7:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.695% * 97.6038% (0.95  10.0 10.00   2.33  34.71) =  99.997%  kept
        T HA    SER   48 - HB3   SER   82  17.09 +/- 3.24   0.163% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HB3   SER   82  20.14 +/- 3.64   0.097% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   SER   82  10.31 +/- 0.72   0.505% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.36 +/- 2.85   0.048% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  24.23 +/- 9.94   0.189% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  23.90 +/- 9.90   0.103% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  25.54 +/- 8.97   0.103% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  27.28 +/- 7.87   0.060% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  25.82 +/- 3.35   0.036% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 84.8:
    * O T HB    VAL   83 - HA    VAL   83   2.94 +/- 0.11  93.456% * 96.5761% (0.90  10.0 10.00   3.97  84.83) =  99.975%  kept
        T QD    LYS+  65 - HA    VAL   83  20.96 +/- 4.97   0.890% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   LYS+  74 - HA    VAL   83  16.01 +/- 1.85   0.660% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.006%
        T QB    ALA   57 - HA    VAL   83  17.34 +/- 4.34   1.049% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - HA    VAL   83  24.50 +/- 4.24   0.220% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    VAL   83  14.80 +/- 2.91   2.094% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    VAL   83  25.06 +/- 4.90   0.224% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  20.76 +/- 5.05   0.509% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  22.36 +/- 4.09   0.301% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  23.28 +/- 5.81   0.380% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.28 +/- 4.08   0.114% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.38 +/- 4.35   0.104% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 84.8:
    * O T QG1   VAL   83 - HA    VAL   83   2.35 +/- 0.34  85.680% * 99.1336% (0.87  10.0 10.00   4.20  84.83) =  99.956%  kept
          QD2   LEU   80 - HA    VAL   83   6.37 +/- 0.91   6.233% *  0.5464% (0.80   1.0  1.00   0.12   0.02) =   0.040%
          QG2   ILE   89 - HA    VAL   83   6.40 +/- 0.90   6.096% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    VAL   83  19.59 +/- 5.07   0.591% *  0.1103% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  14.51 +/- 3.06   0.649% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  17.90 +/- 2.37   0.317% *  0.0873% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.62 +/- 3.71   0.434% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 84.6:
    * O T QG2   VAL   83 - HA    VAL   83   2.53 +/- 0.26  90.163% * 97.2045% (1.00  10.0 10.00   4.29  84.83) =  99.745%  kept
          QD1   ILE   89 - HA    VAL   83   6.32 +/- 1.21   8.170% *  2.7250% (0.90   1.0  1.00   0.63   0.02) =   0.253%  kept
          QD2   LEU   31 - HA    VAL   83  16.75 +/- 6.39   1.667% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 84.8:
    * O T HA    VAL   83 - HB    VAL   83   2.94 +/- 0.11  98.307% * 97.8171% (0.90  10.0 10.00   3.97  84.83) =  99.991%  kept
        T HD2   PRO   58 - HB    VAL   83  20.39 +/- 4.58   0.479% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU- 100 - HB    VAL   83  23.74 +/- 5.19   0.315% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HB    VAL   83  24.52 +/- 4.11   0.221% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  16.69 +/- 2.45   0.678% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 84.7:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.02  79.382% * 99.1336% (0.78  10.0 10.00   4.27  84.83) =  99.896%  kept
          QD2   LEU   80 - HB    VAL   83   4.64 +/- 0.99  14.509% *  0.5464% (0.72   1.0  1.00   0.12   0.02) =   0.101%  kept
          QG2   ILE   89 - HB    VAL   83   6.14 +/- 1.02   4.677% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB    VAL   83  19.07 +/- 4.78   0.316% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83  12.92 +/- 2.90   0.638% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  16.82 +/- 2.14   0.187% *  0.0873% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  16.14 +/- 3.57   0.291% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.39, residual support = 84.7:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  92.977% * 96.7557% (0.90  10.0 10.00   4.39  84.83) =  99.786%  kept
          QD1   ILE   89 - HB    VAL   83   6.24 +/- 1.33   6.047% *  3.1740% (0.80   1.0  1.00   0.73   0.02) =   0.213%  kept
          QD2   LEU   31 - HB    VAL   83  15.58 +/- 6.01   0.977% *  0.0703% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.2, residual support = 84.8:
    * O T HA    VAL   83 - QG1   VAL   83   2.35 +/- 0.34  98.087% * 99.7372% (0.87  10.0 10.00   4.20  84.83) =  99.999%  kept
          HD2   PRO   58 - QG1   VAL   83  17.53 +/- 3.93   0.523% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG1   VAL   83  14.75 +/- 2.49   0.841% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  19.34 +/- 5.42   0.319% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  20.06 +/- 4.32   0.230% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 84.8:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.02  89.515% * 99.3915% (0.78  10.0 10.00   4.27  84.83) =  99.995%  kept
          HG3   PRO   93 - QG1   VAL   83  12.02 +/- 3.09   7.095% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QG1   VAL   83  16.14 +/- 3.86   0.752% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QG1   VAL   83  11.68 +/- 1.83   0.659% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG1   VAL   83  13.72 +/- 3.35   0.593% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  19.94 +/- 4.42   0.179% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  17.02 +/- 4.78   0.362% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  19.32 +/- 4.01   0.162% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  18.75 +/- 3.63   0.187% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  18.06 +/- 5.16   0.336% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  23.26 +/- 3.62   0.084% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  24.16 +/- 3.82   0.076% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.37, residual support = 80.3:
    * O T QG2   VAL   83 - QG1   VAL   83   2.03 +/- 0.06  80.869% * 78.2820% (0.87  10.0 10.00   4.58  84.83) =  94.649%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.68 +/- 1.44  16.515% * 21.6612% (0.78   1.0 10.00   0.62   0.02) =   5.349%  kept
          QD2   LEU   31 - QG1   VAL   83  12.73 +/- 5.55   2.617% *  0.0568% (0.63   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 84.8:
    * O T HA    VAL   83 - QG2   VAL   83   2.53 +/- 0.26  97.906% * 99.7372% (1.00  10.0 10.00   4.29  84.83) =  99.999%  kept
          HD2   PRO   58 - QG2   VAL   83  16.50 +/- 3.58   0.537% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QG2   VAL   83  19.16 +/- 4.42   0.403% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG2   VAL   83  13.62 +/- 1.92   0.869% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  20.08 +/- 3.66   0.285% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.39, residual support = 84.8:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  94.196% * 99.3915% (0.90  10.0 10.00   4.39  84.83) =  99.997%  kept
          QD    LYS+  65 - QG2   VAL   83  15.86 +/- 3.70   0.669% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QG2   VAL   83  10.70 +/- 2.35   2.414% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QG2   VAL   83  11.57 +/- 1.60   0.689% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG2   VAL   83  12.91 +/- 3.02   0.671% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  19.12 +/- 3.98   0.196% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  19.33 +/- 3.55   0.158% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  16.64 +/- 3.91   0.314% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  17.16 +/- 3.53   0.261% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  18.36 +/- 4.28   0.258% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.59 +/- 3.04   0.092% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  23.52 +/- 3.21   0.082% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 4.53, residual support = 83.8:
    * O T QG1   VAL   83 - QG2   VAL   83   2.03 +/- 0.06  72.152% * 94.6208% (0.87  10.0 10.00   4.58  84.83) =  98.762%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.33 +/- 1.22  17.756% *  4.5794% (0.25   1.0 10.00   0.34   0.02) =   1.176%  kept
          QD2   LEU   80 - QG2   VAL   83   5.03 +/- 0.91   7.974% *  0.5215% (0.80   1.0  1.00   0.12   0.02) =   0.060%
          QD1   LEU  104 - QG2   VAL   83  15.15 +/- 4.14   0.502% *  0.1053% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - QG2   VAL   83  10.85 +/- 2.37   0.832% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QG2   VAL   83  13.36 +/- 2.10   0.325% *  0.0834% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  13.03 +/- 2.98   0.459% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.69, residual support = 17.2:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  90.837% * 99.1332% (0.93  10.0 10.00   2.69  17.21) =  99.993%  kept
          HB3   LEU   80 - HA    ALA   84   6.52 +/- 1.18   5.103% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HA    ALA   84  11.94 +/- 1.39   0.582% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    ALA   84  13.40 +/- 1.90   0.451% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  21.51 +/- 5.40   1.278% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  20.00 +/- 4.13   0.164% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  19.61 +/- 3.49   0.192% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  17.55 +/- 3.19   0.246% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  22.87 +/- 6.16   0.169% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.62 +/- 3.25   0.182% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.50 +/- 3.05   0.049% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  19.80 +/- 2.83   0.151% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  16.67 +/- 1.73   0.208% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  18.08 +/- 2.52   0.201% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  24.28 +/- 4.09   0.082% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  25.76 +/- 3.41   0.062% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  28.55 +/- 3.38   0.044% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.69, residual support = 17.2:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  98.364% * 99.6067% (0.93  10.0 10.00   2.69  17.21) =  99.998%  kept
          HB2   TRP   49 - QB    ALA   84  12.78 +/- 2.94   0.869% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QB    ALA   84  13.67 +/- 1.94   0.444% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  19.69 +/- 2.95   0.176% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  19.84 +/- 2.45   0.148% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.40 +/- 0.13  49.513% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.955%  kept
          HA    ALA   88 - HA    SER   85   2.59 +/- 0.63  46.734% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.026%
        T QB    SER   48 - HA    SER   85  14.00 +/- 3.98   0.923% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.011%
        T HD2   PRO   52 - HA    SER   85  17.80 +/- 4.07   0.280% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HA2   GLY   51 - HA    SER   85  19.67 +/- 5.10   0.396% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - HA    SER   85  25.09 +/- 5.46   0.244% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.71 +/- 4.39   1.353% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  13.21 +/- 1.56   0.324% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  23.43 +/- 2.41   0.060% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  32.24 +/- 9.15   0.057% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  30.29 +/- 3.45   0.030% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  29.16 +/- 6.93   0.057% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  30.05 +/- 3.41   0.029% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.40 +/- 0.13  64.147% * 91.4160% (1.00  10.0 10.00   2.26  18.03) =  98.757%  kept
          HA    ASP-  86 - QB    SER   85   4.08 +/- 0.29  14.573% *  4.9682% (0.38   1.0  1.00   2.90  13.43) =   1.219%  kept
        T HA1   GLY   51 - QB    SER   85  18.34 +/- 4.53   0.671% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HA    SER   85 - QB    SER   48  14.00 +/- 3.98   1.062% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HA1   GLY   51 - QB    SER   48   9.02 +/- 0.95   1.403% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ILE  103 - QB    SER   85  20.88 +/- 3.48   0.138% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   85  10.65 +/- 1.91   1.054% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    SER  117  13.65 +/- 3.14   0.665% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   48   9.41 +/- 4.56   3.616% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.71 +/- 0.95   0.835% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  24.86 +/- 2.58   0.067% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  20.83 +/- 2.94   0.155% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  15.26 +/- 2.01   0.309% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.44 +/- 3.92   4.809% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48  11.02 +/- 4.69   1.533% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.28 +/- 5.46   0.981% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  18.76 +/- 3.35   0.197% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.00 +/- 1.54   0.680% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  22.32 +/- 3.42   0.111% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  31.64 +/- 8.12   0.134% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  23.43 +/- 2.41   0.079% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.48 +/- 2.25   0.144% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  12.70 +/- 1.46   0.537% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.14 +/- 3.51   0.423% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  30.92 +/- 7.40   0.087% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  29.01 +/- 7.10   0.101% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  18.14 +/- 1.79   0.174% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  29.26 +/- 8.02   0.102% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  27.47 +/- 6.32   0.118% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.84 +/- 1.30   0.515% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  27.99 +/- 6.99   0.099% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  22.61 +/- 2.00   0.090% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  26.57 +/- 5.15   0.125% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  26.38 +/- 5.32   0.073% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  23.62 +/- 3.55   0.112% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  23.71 +/- 3.06   0.082% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 42.5:
    * O T HB2   ASP-  86 - HA    ASP-  86   2.89 +/- 0.21  97.128% * 99.6568% (1.00  10.0 10.00   3.55  42.45) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  24.51 +/- 9.34   0.871% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  86  24.21 +/- 5.82   0.587% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASP-  86  14.41 +/- 1.65   0.960% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  29.32 +/- 6.61   0.211% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  26.82 +/- 5.82   0.243% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 42.5:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.74 +/- 0.23  96.977% * 98.9853% (1.00  10.0 10.00   2.31  42.45) =  99.997%  kept
        T HB3   ASP-  62 - HA    ASP-  86  26.40 +/- 4.55   0.202% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HA    ASP-  86  13.21 +/- 2.11   1.012% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  16.54 +/- 4.25   0.877% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  27.83 +/- 8.89   0.247% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  21.44 +/- 2.41   0.233% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  19.97 +/- 2.95   0.346% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  31.65 +/- 5.89   0.105% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.54, residual support = 42.2:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.89 +/- 0.21  83.347% * 94.7259% (1.00  10.0 10.00   3.55  42.45) =  99.295%  kept
          HA    SER   85 - HB2   ASP-  86   5.75 +/- 0.31  11.479% *  4.8664% (0.38   1.0  1.00   2.74  13.43) =   0.703%  kept
          HB    THR   77 - HB2   ASP-  86  10.83 +/- 1.97   2.453% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ASP-  86  14.26 +/- 2.26   0.943% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   ASP-  86  29.88 +/- 7.57   0.277% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  22.08 +/- 5.01   0.332% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  32.36 +/- 7.71   0.205% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  19.61 +/- 5.42   0.691% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  33.49 +/- 8.32   0.273% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  98.642% * 99.6638% (1.00  10.0 10.00   2.84  42.45) =  99.999%  kept
          HB3   PHE   45 - HB2   ASP-  86  11.31 +/- 2.44   0.493% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  14.75 +/- 4.70   0.471% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  26.06 +/- 8.26   0.086% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  24.15 +/- 4.11   0.065% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  19.91 +/- 2.58   0.080% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  18.20 +/- 3.46   0.132% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  29.88 +/- 5.51   0.032% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 2.31, residual support = 42.3:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.74 +/- 0.23  86.340% * 94.7257% (1.00  10.0 10.00   2.31  42.45) =  99.439%  kept
          HA    SER   85 - HB3   ASP-  86   5.94 +/- 0.34   9.440% *  4.8666% (0.38   1.0  1.00   2.74  13.43) =   0.559%  kept
          HB    THR   77 - HB3   ASP-  86  11.30 +/- 2.01   1.686% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB3   ASP-  86  30.31 +/- 7.90   0.407% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  32.76 +/- 8.23   0.304% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  14.80 +/- 1.97   0.650% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  22.44 +/- 5.20   0.295% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  33.88 +/- 8.82   0.400% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  19.98 +/- 5.58   0.477% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 42.5:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.195% * 99.6568% (1.00  10.0 10.00   2.84  42.45) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  23.16 +/- 9.17   0.252% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  22.49 +/- 5.34   0.141% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  12.96 +/- 1.66   0.296% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  25.48 +/- 5.86   0.065% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  27.91 +/- 6.51   0.051% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.33 +/- 0.08  99.765% * 99.9010% (1.00  10.0 10.00   4.31  74.38) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.77 +/- 2.77   0.235% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.99 +/- 0.03  99.496% * 99.8563% (1.00  10.0 10.00   4.31  74.38) = 100.000%  kept
          HG3   GLN  116 - HA    TRP   87  25.57 +/- 2.54   0.173% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    TRP   87  26.46 +/- 7.83   0.330% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.33 +/- 0.08  99.418% * 99.8808% (1.00  10.0 10.00   4.31  74.38) = 100.000%  kept
          HA    PHE   59 - HB2   TRP   87  21.69 +/- 2.89   0.177% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   TRP   87  20.62 +/- 4.48   0.226% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  31.06 +/- 6.92   0.178% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.888% * 99.8563% (1.00  10.0 10.00   4.00  74.38) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  23.72 +/- 2.62   0.045% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  25.90 +/- 7.10   0.066% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.99 +/- 0.03  98.887% * 99.3033% (1.00  10.0 10.00   4.31  74.38) =  99.997%  kept
        T HA    PHE   59 - HB3   TRP   87  21.02 +/- 2.93   0.405% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  104 - HB3   TRP   87  20.91 +/- 3.95   0.413% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  30.50 +/- 6.60   0.295% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.851% * 99.9010% (1.00  10.0 10.00   4.00  74.38) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  17.18 +/- 2.55   0.149% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.33, residual support = 12.1:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  97.552% * 99.6403% (1.00  10.0 10.00   2.33  12.09) =  99.999%  kept
          QG2   THR   77 - HA    ALA   88  10.10 +/- 1.68   1.187% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ALA   88  10.98 +/- 1.39   0.820% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  19.86 +/- 2.98   0.148% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  26.15 +/- 6.51   0.110% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  28.27 +/- 3.53   0.050% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  31.70 +/- 3.70   0.036% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  23.55 +/- 3.44   0.099% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.33, residual support = 12.1:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  88.674% * 97.3461% (1.00  10.0 10.00   2.33  12.09) =  99.958%  kept
        T HA    SER   48 - QB    ALA   88  13.78 +/- 3.92   2.945% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.031%
        T HB2   SER   82 - QB    ALA   88  10.33 +/- 0.56   0.797% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   52 - QB    ALA   88  15.06 +/- 3.11   0.365% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   85 - QB    ALA   88   5.25 +/- 0.45   6.299% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QB    ALA   88  22.02 +/- 4.43   0.471% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  25.43 +/- 5.28   0.088% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  23.63 +/- 6.04   0.118% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  24.85 +/- 5.52   0.091% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  27.96 +/- 7.01   0.093% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  26.84 +/- 4.26   0.059% *  0.0300% (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 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 = 216.9:
    * O T HB    ILE   89 - HA    ILE   89   2.79 +/- 0.26  95.044% * 99.6008% (0.80  10.0 10.00   5.44 216.93) =  99.995%  kept
        T HB    VAL   43 - HA    ILE   89  13.80 +/- 3.41   1.536% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  81 - HA    ILE   89  10.88 +/- 1.17   1.952% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  14.69 +/- 2.36   1.093% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  25.00 +/- 3.25   0.179% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  24.32 +/- 3.34   0.196% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 216.9:
    * O T QG2   ILE   89 - HA    ILE   89   2.54 +/- 0.34  96.358% * 99.9320% (1.00  10.0 10.00   6.45 216.93) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   8.47 +/- 1.04   3.359% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    ILE   89  20.14 +/- 3.16   0.283% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 216.9:
    * O T HG12  ILE   89 - HA    ILE   89   2.96 +/- 0.62  96.129% * 99.3078% (1.00  10.0 10.00   5.89 216.93) =  99.997%  kept
        T HG3   LYS+  99 - HA    ILE   89  26.40 +/- 3.54   0.213% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HA    ILE   89  16.47 +/- 2.68   0.836% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  17.24 +/- 2.25   0.759% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  17.64 +/- 3.20   0.774% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  23.40 +/- 4.72   0.566% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  24.19 +/- 4.74   0.393% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  25.29 +/- 5.68   0.330% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.9:
    * O T HA    ILE   89 - HB    ILE   89   2.79 +/- 0.26  88.853% * 99.2091% (0.80  10.0 10.00   5.44 216.93) =  99.993%  kept
        T HA    ILE   89 - HB    VAL   43  13.80 +/- 3.41   1.436% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.004%
          HB3   SER   82 - HB    ILE   89  10.80 +/- 1.15   1.946% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - HB    ILE   89  19.32 +/- 2.50   0.373% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.65 +/- 2.61   1.384% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.49 +/- 3.73   1.052% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.74 +/- 4.32   1.323% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  14.18 +/- 0.99   0.750% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  25.86 +/- 3.86   0.156% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  28.13 +/- 4.97   0.155% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  28.54 +/- 3.52   0.110% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.56 +/- 1.53   0.498% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.35 +/- 4.59   0.480% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  14.90 +/- 3.60   0.961% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  25.46 +/- 4.81   0.190% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.57 +/- 1.34   0.332% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 216.9:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  87.842% * 99.5317% (0.80  10.0 10.00   5.92 216.93) =  99.992%  kept
        T QG2   ILE   89 - HB    VAL   43   9.93 +/- 2.74   1.675% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB    ILE   89   7.20 +/- 1.16   2.824% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - HB    VAL   43  10.78 +/- 2.30   2.938% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL   43   9.66 +/- 4.30   4.565% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB    ILE   89  19.50 +/- 3.34   0.156% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.2, residual support = 216.9:
    * O T HG12  ILE   89 - HB    ILE   89   2.68 +/- 0.23  86.148% * 98.9436% (0.80  10.0 10.00   5.20 216.93) =  99.992%  kept
        T HG12  ILE   89 - HB    VAL   43  13.25 +/- 3.22   1.693% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HB    ILE   89  16.38 +/- 3.09   0.594% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  14.46 +/- 1.55   0.653% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   89  25.53 +/- 3.52   0.128% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB    VAL   43  11.99 +/- 3.03   2.744% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  16.25 +/- 2.22   0.508% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43  10.41 +/- 2.12   2.154% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  17.32 +/- 3.28   0.549% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  11.24 +/- 2.39   1.691% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  16.65 +/- 2.54   0.517% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  23.31 +/- 4.20   0.171% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  22.56 +/- 4.16   0.204% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  15.07 +/- 5.69   1.363% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  24.20 +/- 6.15   0.223% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  16.49 +/- 3.57   0.658% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 216.9:
    * O T HA    ILE   89 - QG2   ILE   89   2.54 +/- 0.34  93.757% * 99.5272% (1.00  10.0 10.00   6.45 216.93) =  99.996%  kept
          HB3   SER   82 - QG2   ILE   89   9.04 +/- 0.92   2.970% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  15.27 +/- 2.07   0.638% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QG2   ILE   89  11.36 +/- 2.56   1.820% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  20.80 +/- 3.04   0.212% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  22.78 +/- 3.92   0.193% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  23.00 +/- 2.66   0.150% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  20.50 +/- 3.74   0.259% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 216.9:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  95.183% * 99.0138% (0.80  10.0 10.00   5.92 216.93) =  99.993%  kept
        T HB    VAL   43 - QG2   ILE   89   9.93 +/- 2.74   1.815% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+  99 - QG2   ILE   89  19.56 +/- 2.58   0.143% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   8.44 +/- 1.02   1.787% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  11.00 +/- 1.81   0.915% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  18.98 +/- 2.62   0.157% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.39, residual support = 216.9:
    * O T HG12  ILE   89 - QG2   ILE   89   2.95 +/- 0.37  91.928% * 99.3078% (1.00  10.0 10.00   6.39 216.93) =  99.994%  kept
          HG3   LYS+ 111 - QG2   ILE   89  13.12 +/- 2.71   1.633% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - QG2   ILE   89  20.72 +/- 2.72   0.333% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QG2   ILE   89  13.58 +/- 3.08   2.523% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   89  12.46 +/- 1.87   1.626% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  18.51 +/- 3.56   0.597% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  17.86 +/- 3.41   0.642% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  19.33 +/- 4.99   0.718% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 216.9:
    * O T HA    ILE   89 - HG12  ILE   89   2.96 +/- 0.62  70.662% * 98.5945% (1.00  10.0 10.00   5.89 216.93) =  99.966%  kept
        T HB    THR   39 - HG3   LYS+  99  10.30 +/- 2.74   3.241% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.018%
          HB3   SER   37 - HG3   LYS+  99  10.42 +/- 4.08  17.106% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.010%
          HB3   SER   82 - HG12  ILE   89  10.89 +/- 1.52   2.523% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE   89 - HG3   LYS+  99  26.40 +/- 3.54   0.144% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HG12  ILE   89  14.77 +/- 4.44   2.149% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  19.47 +/- 3.17   0.357% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  15.75 +/- 2.59   0.714% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  25.91 +/- 3.83   0.203% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  28.36 +/- 5.13   0.162% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.21 +/- 4.17   0.379% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  28.62 +/- 3.43   0.125% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  12.99 +/- 3.86   1.679% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  26.32 +/- 5.86   0.158% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  25.63 +/- 4.79   0.256% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.63 +/- 2.58   0.142% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.653, support = 5.28, residual support = 207.3:
    * O T HB    ILE   89 - HG12  ILE   89   2.68 +/- 0.23  31.301% * 78.0851% (0.80  10.0 10.00   5.20 216.93) =  78.153%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.74 +/- 0.32  31.575% * 14.8429% (0.15  10.0  1.00   5.18 173.11) =  14.986%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.59 +/- 0.22  35.135% *  6.1021% (0.06  10.0 10.00   6.44 173.11) =   6.855%  kept
        T HB    VAL   43 - HG12  ILE   89  13.25 +/- 3.22   0.525% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   43 - HG3   LYS+  99  14.46 +/- 1.55   0.221% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  25.53 +/- 3.52   0.043% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.33 +/- 1.62   0.665% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.57 +/- 1.62   0.082% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  23.65 +/- 3.45   0.056% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.50 +/- 2.90   0.309% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  24.32 +/- 3.43   0.051% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.77 +/- 3.62   0.037% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.38, residual support = 216.2:
    * O T QG2   ILE   89 - HG12  ILE   89   2.95 +/- 0.37  55.371% * 98.9386% (1.00  10.0 10.00   6.39 216.93) =  99.638%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.14 +/- 1.74  33.776% *  0.5717% (0.06   1.0  1.00   1.85  18.46) =   0.351%  kept
          QG1   VAL   83 - HG12  ILE   89   7.19 +/- 1.68   9.879% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   ILE   89 - HG3   LYS+  99  20.72 +/- 2.72   0.205% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HG3   LYS+  99  19.69 +/- 5.05   0.481% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  19.65 +/- 3.07   0.287% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.95, residual support = 94.7:
    * O T HB2   GLN   90 - HA    GLN   90   2.56 +/- 0.19  90.224% * 98.5005% (0.78  10.0 10.00   3.96  94.81) =  99.877%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.15 +/- 2.85   9.345% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.122%  kept
          HB3   GLU-  29 - HA    GLN   90  28.36 +/- 6.16   0.129% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  28.14 +/- 6.58   0.161% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  28.71 +/- 3.00   0.085% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  31.86 +/- 2.49   0.056% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 94.8:
    * O T HB3   GLN   90 - HA    GLN   90   2.87 +/- 0.28  84.258% * 99.0333% (0.82  10.0 10.00   3.96  94.81) =  99.985%  kept
          QB    LYS+  81 - HA    GLN   90   8.40 +/- 2.11   5.833% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.007%
          HB2   MET   92 - HA    GLN   90   7.38 +/- 0.97   5.933% *  0.0577% (0.48   1.0  1.00   0.02   0.19) =   0.004%
          HG2   ARG+  54 - HA    GLN   90  17.19 +/- 3.97   1.204% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  16.66 +/- 2.65   0.614% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    GLN   90  15.85 +/- 1.61   0.573% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    GLN   90  26.82 +/- 4.06   0.306% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  24.25 +/- 5.09   0.211% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  21.82 +/- 2.98   0.238% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  22.10 +/- 4.14   0.428% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.38 +/- 1.95   0.193% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  26.46 +/- 3.91   0.133% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  30.93 +/- 2.52   0.076% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 94.8:
    * O T QG    GLN   90 - HA    GLN   90   2.63 +/- 0.39  93.799% * 99.3855% (0.88  10.0 10.00   3.59  94.81) =  99.997%  kept
          HB2   ASP-  44 - HA    GLN   90  14.70 +/- 2.09   0.992% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    GLN   90   8.10 +/- 1.30   4.139% *  0.0171% (0.15   1.0  1.00   0.02   0.19) =   0.001%
          HB3   PHE   72 - HA    GLN   90  20.83 +/- 2.63   0.264% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  27.72 +/- 7.03   0.175% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  28.33 +/- 5.84   0.139% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  22.08 +/- 1.89   0.195% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  30.90 +/- 6.45   0.132% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  27.39 +/- 6.04   0.165% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.784, support = 3.96, residual support = 94.7:
    * O T HA    GLN   90 - HB2   GLN   90   2.56 +/- 0.19  88.346% * 98.8405% (0.78  10.0 10.00   3.96  94.81) =  99.923%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.15 +/- 2.85   9.151% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.075%
          HA    ALA  110 - HB2   GLN   90  15.28 +/- 2.00   0.456% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.61 +/- 2.97   0.338% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.64 +/- 2.61   0.300% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  19.55 +/- 3.10   0.257% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.75 +/- 2.40   0.484% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  20.36 +/- 2.01   0.242% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.86 +/- 0.95   0.233% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.76 +/- 2.35   0.193% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 94.8:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  93.841% * 96.7995% (0.67  10.0 10.00   3.98  94.81) =  99.991%  kept
        T HB3   GLN   90 - HB3   GLU-  79  13.68 +/- 2.99   0.548% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  81 - HB3   GLU-  79   7.50 +/- 1.11   1.498% *  0.0752% (0.52   1.0  1.00   0.02   1.24) =   0.001%
          QB    LYS+  81 - HB2   GLN   90   9.54 +/- 1.87   0.933% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.10 +/- 1.14   1.161% *  0.0564% (0.39   1.0  1.00   0.02   0.19) =   0.001%
        T HB3   LYS+  38 - HB2   GLN   90  32.49 +/- 2.93   0.016% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  17.47 +/- 2.72   0.115% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  17.74 +/- 4.10   0.176% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  16.92 +/- 1.44   0.113% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  14.56 +/- 3.74   0.282% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  17.78 +/- 5.83   0.211% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  18.47 +/- 2.41   0.103% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.99 +/- 2.78   0.106% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  28.12 +/- 4.71   0.102% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  19.00 +/- 2.80   0.116% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  20.84 +/- 4.53   0.088% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  25.77 +/- 5.37   0.053% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.43 +/- 4.10   0.089% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  23.21 +/- 2.87   0.048% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  23.71 +/- 1.88   0.042% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.09 +/- 4.18   0.113% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.69 +/- 3.17   0.060% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  27.84 +/- 4.16   0.032% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  22.62 +/- 2.03   0.048% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  24.96 +/- 2.95   0.036% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.97 +/- 4.33   0.069% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 94.8:
    * O T QG    GLN   90 - HB2   GLN   90   2.39 +/- 0.14  88.982% * 96.7466% (0.72  10.0 10.00   3.92  94.81) =  99.971%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.77 +/- 2.50   2.689% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.022%
        T QB    MET   11 - HB3   GLU-  79  24.49 +/- 6.97   0.201% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  15.94 +/- 2.57   0.658% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.12 +/- 2.39   0.860% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   GLN   90  32.02 +/- 6.54   0.086% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HB3   GLU-  79  21.56 +/- 8.03   0.805% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   GLN   90   8.61 +/- 1.71   3.096% *  0.0166% (0.12   1.0  1.00   0.02   0.19) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  20.76 +/- 6.76   0.296% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HB3   GLU-  79  21.72 +/- 6.63   0.413% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.69 +/- 1.78   0.360% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  28.89 +/- 6.27   0.086% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.28 +/- 2.88   0.150% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  29.02 +/- 7.17   0.121% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  14.95 +/- 4.35   0.849% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  29.51 +/- 6.10   0.096% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  20.77 +/- 1.79   0.146% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  23.21 +/- 1.96   0.105% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 94.8:
    * O T HA    GLN   90 - HB3   GLN   90   2.87 +/- 0.28  97.856% * 99.7400% (0.82  10.0 10.00   3.96  94.81) =  99.998%  kept
          HA    ALA  110 - HB3   GLN   90  14.98 +/- 2.25   0.875% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  18.55 +/- 3.01   0.512% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   90  19.99 +/- 1.85   0.336% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  18.34 +/- 1.16   0.421% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 94.8:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.307% * 98.2851% (0.67  10.0 10.00   3.98  94.81) =  99.993%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.68 +/- 2.99   0.580% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LYS+  38 - HB3   GLN   90  33.11 +/- 2.60   0.016% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  29.83 +/- 6.09   0.033% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  29.64 +/- 6.53   0.040% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  29.87 +/- 2.99   0.023% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.92, residual support = 94.8:
    * O T QG    GLN   90 - HB3   GLN   90   2.37 +/- 0.14  90.961% * 99.3855% (0.75  10.0 10.00   3.92  94.81) =  99.997%  kept
          HG3   MET   92 - HB3   GLN   90   8.44 +/- 2.00   7.803% *  0.0171% (0.13   1.0  1.00   0.02   0.19) =   0.001%
          HB2   ASP-  44 - HB3   GLN   90  15.74 +/- 2.37   0.565% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   GLN   90  22.12 +/- 2.76   0.154% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  28.95 +/- 7.07   0.123% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  29.54 +/- 6.00   0.092% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  23.00 +/- 1.90   0.111% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  32.05 +/- 6.54   0.088% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  28.86 +/- 6.03   0.101% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 94.8:
    * O T HA    GLN   90 - QG    GLN   90   2.63 +/- 0.39  97.373% * 99.7400% (0.88  10.0 10.00   3.59  94.81) =  99.998%  kept
          HA    ALA  110 - QG    GLN   90  14.18 +/- 1.83   1.059% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QG    GLN   90  16.97 +/- 2.63   0.600% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   90  18.09 +/- 2.06   0.417% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  17.09 +/- 1.28   0.552% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 94.8:
    * O T HB2   GLN   90 - QG    GLN   90   2.39 +/- 0.14  96.632% * 97.8434% (0.72  10.0 10.00   3.92  94.81) =  99.963%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.77 +/- 2.50   2.924% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.036%
        T HG3   GLU-  29 - QG    GLN   90  26.42 +/- 6.17   0.170% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  26.60 +/- 5.80   0.132% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  26.71 +/- 3.11   0.085% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  29.59 +/- 2.80   0.058% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.745, support = 3.88, residual support = 93.7:
    * O T HB3   GLN   90 - QG    GLN   90   2.37 +/- 0.14  87.195% * 86.3214% (0.75  10.0 10.00   3.92  94.81) =  98.822%  kept
        T HB2   MET   92 - QG    GLN   90   7.82 +/- 1.68   6.924% * 12.8863% (0.44   1.0 10.00   0.51   0.19) =   1.172%  kept
          QB    LYS+  81 - QG    GLN   90   8.26 +/- 1.79   3.284% *  0.0927% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+ 106 - QG    GLN   90  15.20 +/- 1.75   0.431% *  0.0954% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  15.95 +/- 2.40   0.370% *  0.0978% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  16.04 +/- 3.71   0.563% *  0.0627% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  22.92 +/- 4.89   0.241% *  0.0669% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  20.61 +/- 3.28   0.202% *  0.0585% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  21.26 +/- 2.22   0.163% *  0.0669% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  25.06 +/- 3.89   0.196% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  24.76 +/- 3.85   0.130% *  0.0790% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.87 +/- 3.73   0.242% *  0.0319% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  28.74 +/- 2.83   0.059% *  0.0863% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.4:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.01  97.541% * 98.3255% (1.00  10.0 10.00   2.24  14.42) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  21.17 +/- 2.09   0.115% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  10.82 +/- 2.38   1.128% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  19.49 +/- 5.10   0.304% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ALA   91  15.09 +/- 2.99   0.409% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  23.52 +/- 6.27   0.158% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.83 +/- 3.31   0.161% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  22.91 +/- 2.71   0.092% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.03 +/- 1.47   0.055% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.52 +/- 2.85   0.038% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.4:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.01  89.508% * 99.0540% (1.00  10.0 10.00   2.24  14.42) =  99.996%  kept
          HA    PRO   52 - QB    ALA   91  10.97 +/- 3.56   2.183% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  11.21 +/- 2.45   1.218% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  21.17 +/- 2.09   0.105% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QB    ALA   91  12.80 +/- 1.60   0.503% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QB    ALA   91  18.41 +/- 4.72   0.467% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.76 +/- 0.98   3.461% *  0.0096% (0.10   1.0  1.00   0.02   1.19) =   0.000%
        T HA    ALA   91 - QG2   THR   23  19.49 +/- 5.10   0.279% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91   9.99 +/- 2.26   1.235% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.57 +/- 1.11   0.199% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.27 +/- 4.20   0.408% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.39 +/- 1.73   0.111% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.85 +/- 1.63   0.067% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  22.81 +/- 4.07   0.101% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.20 +/- 3.42   0.154% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD2   PRO   93   3.96 +/- 0.06 100.000% *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   3.98 +/- 0.13  61.726% * 99.2584% (0.73  10.0 10.00   5.40 132.34) =  99.964%  kept
          HB2   ARG+  54 - HD2   PRO   93  11.40 +/- 2.96   9.151% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.013%
          HB    VAL  108 - HD2   PRO   93   9.45 +/- 2.24   6.601% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.009%
          HG3   PRO   52 - HD2   PRO   93   9.82 +/- 3.99  16.317% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   GLN   30 - HD2   PRO   93  22.88 +/- 3.52   0.719% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   58 - HD2   PRO   93  13.31 +/- 3.37   3.116% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD2   PRO   93  15.76 +/- 1.38   1.099% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.10 +/- 3.16   0.694% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HD2   PRO   93  26.70 +/- 1.03   0.212% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.63 +/- 4.14   0.217% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  32.60 +/- 4.97   0.147% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HG2   PRO   93 - HD2   PRO   93   2.33 +/- 0.12  92.369% * 99.4388% (0.73  10.0 10.00   4.00 132.34) =  99.997%  kept
          HB3   PRO   52 - HD2   PRO   93   9.02 +/- 3.61   5.651% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HD2   PRO   93  15.42 +/- 2.62   0.627% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  17.50 +/- 2.44   0.278% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  18.38 +/- 1.95   0.242% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.19 +/- 3.35   0.196% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.56 +/- 1.01   0.145% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  18.06 +/- 1.45   0.225% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.88 +/- 1.74   0.144% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  24.60 +/- 5.16   0.123% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  81.248% * 98.6805% (0.65  10.0 10.00   4.00 132.34) =  99.974%  kept
          HB3   CYS   53 - HD2   PRO   93   8.69 +/- 3.70  16.499% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.022%
          QB    PHE   55 - HD2   PRO   93   8.70 +/- 2.78   1.473% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HD2   PRO   93  20.16 +/- 2.89   0.067% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HD2   PRO   93  12.36 +/- 2.98   0.416% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  12.72 +/- 2.48   0.297% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD3   PRO   93   3.81 +/- 0.06  98.509% * 99.8223% (0.90  10.0 10.00   5.31 132.34) =  99.997%  kept
        T HA    PRO   93 - HD3   PRO   68  17.47 +/- 2.82   1.491% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.894, support = 5.37, residual support = 131.6:
    * O T HB2   PRO   93 - HD3   PRO   93   3.69 +/- 0.25  55.531% * 96.2362% (0.90  10.0 10.00   5.40 132.34) =  99.475%  kept
          HG3   PRO   52 - HD3   PRO   93   9.37 +/- 4.41  19.037% *  1.0879% (0.28   1.0  1.00   0.73   0.02) =   0.385%  kept
        T HB2   ARG+  54 - HD3   PRO   93  11.07 +/- 2.79   7.758% *  0.8348% (0.78   1.0 10.00   0.02   0.02) =   0.121%  kept
          HB    VAL  108 - HD3   PRO   93  10.53 +/- 1.97   2.992% *  0.0771% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HD3   PRO   93  22.85 +/- 3.73   0.496% *  0.2676% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   PRO   93 - HD3   PRO   68  17.06 +/- 2.68   0.752% *  0.1713% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ARG+  54 - HD3   PRO   68  19.38 +/- 3.43   0.660% *  0.1486% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - HD3   PRO   93  13.38 +/- 3.61   2.574% *  0.0297% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   93  28.49 +/- 4.27   0.169% *  0.3612% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  16.76 +/- 3.29   1.247% *  0.0476% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   68  18.14 +/- 4.63   0.721% *  0.0643% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  32.34 +/- 5.26   0.102% *  0.3956% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   93  16.32 +/- 1.52   0.707% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   68  22.91 +/- 5.59   0.426% *  0.0704% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   93  22.07 +/- 3.41   0.495% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   68  13.20 +/- 3.78   2.182% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.37 +/- 3.11   1.555% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.19 +/- 1.24   0.146% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  14.53 +/- 1.86   1.147% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.90 +/- 2.77   0.396% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  19.50 +/- 3.33   0.601% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  22.18 +/- 2.31   0.304% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.885, support = 3.95, residual support = 130.1:
    * O T HG2   PRO   93 - HD3   PRO   93   2.88 +/- 0.13  46.965% * 92.9800% (0.90  10.0 10.00   4.00 132.34) =  98.330%  kept
        T HB3   PRO   52 - HD3   PRO   93   8.75 +/- 3.94   7.477% *  5.1805% (0.28   1.0 10.00   0.36   0.02) =   0.872%  kept
          QB    LYS+  66 - HD3   PRO   68   3.91 +/- 1.46  33.380% *  1.0534% (0.14   1.0  1.00   1.42   0.02) =   0.792%  kept
          QB    LYS+  65 - HD3   PRO   68   6.94 +/- 1.27   4.153% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   93  15.20 +/- 2.55   0.502% *  0.0777% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  18.68 +/- 2.83   0.218% *  0.1655% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  17.50 +/- 2.39   0.267% *  0.0834% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  10.54 +/- 1.09   1.114% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  13.45 +/- 5.00   2.675% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  18.67 +/- 2.09   0.199% *  0.0675% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.31 +/- 3.33   0.177% *  0.0745% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.15 +/- 1.05   0.120% *  0.0858% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.64 +/- 1.60   0.177% *  0.0526% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.67 +/- 2.22   0.687% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  21.24 +/- 2.53   0.121% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  18.56 +/- 3.70   0.310% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  14.70 +/- 6.52   0.840% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.36 +/- 1.87   0.134% *  0.0287% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  17.54 +/- 3.56   0.360% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  24.51 +/- 5.35   0.125% *  0.0259% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  94.698% * 99.5607% (0.65  10.0 10.00   4.00 132.34) =  99.993%  kept
          HA    THR   77 - HD3   PRO   93   9.98 +/- 4.01   4.631% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB2   TRP   27 - HD3   PRO   93  20.00 +/- 4.45   0.258% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  20.16 +/- 2.89   0.080% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  17.79 +/- 3.57   0.225% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  18.51 +/- 2.42   0.109% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.41 +/- 0.19  91.317% * 99.2584% (1.00  10.0 10.00   5.98 132.34) =  99.994%  kept
          HB    VAL  108 - HA    PRO   93   9.17 +/- 1.91   2.264% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HA    PRO   93  12.42 +/- 2.05   0.935% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    PRO   93  11.16 +/- 3.38   2.478% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  20.07 +/- 3.27   0.258% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  13.04 +/- 3.57   1.658% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  14.83 +/- 1.81   0.508% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  19.15 +/- 3.06   0.290% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.88 +/- 1.13   0.099% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.04 +/- 4.44   0.110% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  30.27 +/- 5.08   0.083% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  79.378% * 99.4388% (1.00  10.0 10.00   5.31 132.34) =  99.985%  kept
          QB    LYS+  65 - HA    PRO   93  13.53 +/- 2.72   4.247% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HA    PRO   93  10.55 +/- 2.87   7.293% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    PRO   93  15.42 +/- 2.51   1.797% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    PRO   93  15.23 +/- 1.85   2.005% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HA    PRO   93  16.93 +/- 3.02   1.522% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HA    PRO   93  15.55 +/- 1.63   1.464% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.45 +/- 1.15   0.820% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  19.75 +/- 1.93   0.724% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  22.07 +/- 5.69   0.750% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HD2   PRO   93 - HA    PRO   93   3.96 +/- 0.06  76.496% * 99.7770% (0.73  10.0 10.00   5.31 132.34) =  99.963%  kept
          HA    THR   77 - HA    PRO   93   8.25 +/- 3.27  21.669% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.035%
          HB2   TRP   27 - HA    PRO   93  17.59 +/- 3.90   1.834% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.19 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   3.81 +/- 0.06  72.407% * 98.6805% (0.90  10.0 10.00   5.31 132.34) =  99.950%  kept
          HB3   CYS   53 - HA    PRO   93   8.53 +/- 2.50  14.261% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.022%
        T HD3   PRO   68 - HA    PRO   93  17.47 +/- 2.82   1.073% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.014%
          QB    PHE   55 - HA    PRO   93   9.96 +/- 2.22   6.228% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HD2   ARG+  54 - HA    PRO   93  13.28 +/- 2.17   2.245% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HA    PRO   93  11.69 +/- 2.79   3.786% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HG2   PRO   93 - HB2   PRO   93   2.81 +/- 0.26  72.266% * 99.0260% (1.00  10.0 10.00   5.40 132.34) =  99.977%  kept
        T HB3   PRO   52 - HB2   PRO   93   9.70 +/- 3.22   3.695% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.016%
          QB    LYS+  65 - HB2   PRO   93  12.79 +/- 2.42   1.468% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB2   PRO   93  14.77 +/- 2.34   0.689% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   PRO   93  16.09 +/- 2.11   0.788% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   GLN   30  10.45 +/- 3.03   8.568% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HG3   GLN   30  22.03 +/- 3.75   0.553% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   PRO   93  17.27 +/- 3.24   0.511% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  11.74 +/- 3.05   1.716% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HB2   PRO   93  16.61 +/- 1.62   0.409% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.38 +/- 1.11   0.244% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30  11.48 +/- 3.02   2.117% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  18.71 +/- 2.09   0.303% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  20.43 +/- 6.83   3.614% *  0.0024% (0.02   1.0  1.00   0.02   0.52) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  21.94 +/- 5.58   0.280% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  15.64 +/- 3.18   0.785% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  15.90 +/- 3.24   0.763% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  16.40 +/- 2.66   0.541% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.80 +/- 2.87   0.599% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  27.32 +/- 2.82   0.092% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HD2   PRO   93 - HB2   PRO   93   3.98 +/- 0.13  67.062% * 99.6822% (0.73  10.0 10.00   5.40 132.34) =  99.974%  kept
          HA    THR   77 - HB2   PRO   93   9.49 +/- 2.89  10.089% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.019%
          HB2   TRP   27 - HB2   PRO   93  18.14 +/- 3.90   3.025% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HB2   TRP   27 - HG3   GLN   30   6.40 +/- 0.66  18.106% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   93 - HG3   GLN   30  22.88 +/- 3.52   0.737% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   77 - HG3   GLN   30  18.85 +/- 4.39   0.982% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.69 +/- 0.25  61.108% * 97.4649% (0.90  10.0 10.00   5.40 132.34) =  99.884%  kept
        T HD2   ARG+  54 - HB2   PRO   93  12.13 +/- 2.27   2.679% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.049%
          HB3   CYS   53 - HB2   PRO   93   7.75 +/- 2.74  19.048% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.034%
        T HD3   PRO   68 - HB2   PRO   93  17.06 +/- 2.68   0.868% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.014%
          QB    PHE   55 - HB2   PRO   93   8.68 +/- 2.54   8.410% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.012%
          HB2   PHE   59 - HB2   PRO   93  10.47 +/- 2.94   4.976% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   PRO   68 - HG3   GLN   30  16.76 +/- 3.29   1.000% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.85 +/- 3.73   0.544% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HG3   GLN   30  27.61 +/- 3.43   0.169% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.85 +/- 3.91   0.659% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  23.32 +/- 2.85   0.283% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.88 +/- 2.71   0.255% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.3:
    * 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 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.81 +/- 0.26  82.378% * 98.7141% (1.00  10.0 10.00   5.40 132.34) =  99.957%  kept
        T HG3   PRO   52 - HG2   PRO   93  10.11 +/- 4.07   5.668% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.021%
        T HG2   PRO   58 - HG2   PRO   93  11.57 +/- 3.80   3.047% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.011%
          HB2   ARG+  54 - HG2   PRO   93  10.69 +/- 2.59   3.770% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HG2   PRO   93   9.90 +/- 2.21   2.789% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLN   30 - HG2   PRO   93  22.03 +/- 3.75   0.628% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG2   PRO   93  14.04 +/- 1.77   0.823% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  21.18 +/- 3.27   0.584% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.09 +/- 1.32   0.115% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.49 +/- 3.87   0.120% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  31.41 +/- 4.84   0.078% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HG2   PRO   93   2.33 +/- 0.12  95.286% * 99.7770% (0.73  10.0 10.00   4.00 132.34) =  99.994%  kept
          HA    THR   77 - HG2   PRO   93  10.98 +/- 3.60   4.069% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   TRP   27 - HG2   PRO   93  19.58 +/- 4.04   0.646% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.88 +/- 0.13  67.258% * 98.6805% (0.90  10.0 10.00   4.00 132.34) =  99.948%  kept
          HB3   CYS   53 - HG2   PRO   93   8.18 +/- 3.44  16.927% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.028%
          QB    PHE   55 - HG2   PRO   93   7.74 +/- 3.22  11.485% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.015%
        T HD3   PRO   68 - HG2   PRO   93  18.68 +/- 2.83   0.318% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HD2   ARG+  54 - HG2   PRO   93  11.71 +/- 2.68   1.706% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG2   PRO   93  10.93 +/- 2.94   2.305% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.9:
    * O T HB    THR   94 - HA    THR   94   3.00 +/- 0.13  90.725% * 99.2375% (0.84  10.0 10.00   2.43  24.92) =  99.992%  kept
          QB    SER   48 - HA    THR   94  13.19 +/- 1.44   1.278% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  10.93 +/- 1.11   2.204% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    THR   94  14.88 +/- 1.84   0.873% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    THR   94  16.21 +/- 2.34   0.780% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  15.54 +/- 2.40   0.868% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  16.72 +/- 1.47   0.571% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  16.48 +/- 1.97   0.623% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    THR   94  23.61 +/- 6.24   0.481% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  13.04 +/- 2.36   1.596% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 24.9:
    * O T QG2   THR   94 - HA    THR   94   2.56 +/- 0.25  85.347% * 99.7175% (1.00  10.0 10.00   2.92  24.92) =  99.986%  kept
          HD2   LYS+ 112 - HA    THR   94  10.56 +/- 3.02  10.595% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.010%
          HB3   LYS+ 112 - HA    THR   94  10.76 +/- 1.73   2.427% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   71 - HA    THR   94  16.29 +/- 3.14   0.699% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    THR   94  12.22 +/- 1.60   0.931% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.9:
    * O T HA    THR   94 - HB    THR   94   3.00 +/- 0.13  98.078% * 99.9751% (0.84  10.0 10.00   2.43  24.92) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94  11.64 +/- 1.43   1.922% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.9:
    * O T QG2   THR   94 - HB    THR   94   2.17 +/- 0.01  96.384% * 99.7175% (0.84  10.0 10.00   2.43  24.92) =  99.997%  kept
          HD2   LYS+ 112 - HB    THR   94  12.86 +/- 3.29   1.913% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HB    THR   94  13.17 +/- 1.70   0.592% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB    THR   94  16.36 +/- 2.77   0.344% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    THR   94  11.81 +/- 1.81   0.768% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 24.9:
    * O T HA    THR   94 - QG2   THR   94   2.56 +/- 0.25  98.225% * 99.9751% (1.00  10.0 10.00   2.92  24.92) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.53 +/- 1.22   1.775% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.9:
    * O T HB    THR   94 - QG2   THR   94   2.17 +/- 0.01  94.046% * 99.2375% (0.84  10.0 10.00   2.43  24.92) =  99.995%  kept
          QB    SER   48 - QG2   THR   94  11.39 +/- 1.53   0.891% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QG2   THR   94  11.71 +/- 1.85   0.756% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   THR   94  19.83 +/- 5.54   0.657% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QG2   THR   94  14.52 +/- 2.60   0.673% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.04 +/- 1.13   1.104% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QG2   THR   94  15.08 +/- 1.64   0.308% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  14.60 +/- 1.93   0.398% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.34 +/- 2.17   0.383% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  12.31 +/- 2.38   0.785% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.05 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.48) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.49 +/- 0.10  98.999% * 99.8670% (1.00  10.0 10.00   4.00  73.48) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  12.71 +/- 1.17   0.814% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  21.44 +/- 2.85   0.187% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.05 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.48) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.463% * 99.8670% (1.00  10.0 10.00   3.31  73.48) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.87 +/- 1.32   0.474% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.84 +/- 3.19   0.062% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.49 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.48) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.48) = 100.000%  kept
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.974, support = 4.97, residual support = 114.2:
    * O T HB2   MET   96 - HA    MET   96   2.97 +/- 0.09  76.461% * 95.8525% (0.98  10.0 10.00   5.00 115.38) =  99.006%  kept
          HB2   ASP- 105 - HA    MET   96   6.20 +/- 1.20  19.169% *  3.8225% (0.40   1.0  1.00   1.94   0.02) =   0.990%  kept
          HB    VAL   70 - HA    MET   96  11.97 +/- 2.15   1.861% *  0.0733% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   17 - HA    MET   96  18.14 +/- 4.26   0.891% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.21 +/- 0.87   0.729% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  15.56 +/- 2.11   0.610% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    MET   96  20.97 +/- 3.06   0.279% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HA    MET   96   2.76 +/- 0.18  97.506% * 99.7402% (0.98  10.0 10.00   5.00 115.38) =  99.998%  kept
          HB2   LEU   40 - HA    MET   96  11.71 +/- 1.38   1.500% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  23.25 +/- 3.97   0.381% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.29 +/- 3.06   0.492% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  29.07 +/- 4.60   0.121% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   3.12 +/- 0.47  99.357% * 99.6261% (0.98  10.0 10.00   4.44 115.38) =  99.998%  kept
        T HB2   PRO   52 - HA    MET   96  18.26 +/- 2.66   0.643% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   2.49 +/- 0.41  97.458% * 99.7437% (0.59  10.0 10.00   4.44 115.38) =  99.999%  kept
          HB3   TRP   87 - HA    MET   96  13.93 +/- 3.62   1.109% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.91 +/- 2.11   0.253% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  15.71 +/- 1.31   0.559% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  15.52 +/- 1.97   0.621% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB2   MET   96   2.97 +/- 0.09  95.331% * 99.9773% (0.98  10.0 10.00   5.00 115.38) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96   9.09 +/- 1.78   4.669% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.193% * 99.7402% (1.00  10.0 10.00   5.00 115.38) =  99.999%  kept
          HB2   LEU   40 - HB2   MET   96  10.80 +/- 1.44   0.542% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  22.04 +/- 4.72   0.131% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  27.97 +/- 4.93   0.036% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.51 +/- 2.92   0.098% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB2   MET   96   2.59 +/- 0.30  99.641% * 99.6261% (1.00  10.0 10.00   4.44 115.38) =  99.999%  kept
        T HB2   PRO   52 - HB2   MET   96  18.74 +/- 2.29   0.359% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.78 +/- 0.21  96.298% * 99.7437% (0.61  10.0 10.00   4.44 115.38) =  99.998%  kept
          HB3   TRP   87 - HB2   MET   96  13.20 +/- 3.46   2.287% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  19.81 +/- 2.02   0.315% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.63 +/- 1.79   0.637% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  17.24 +/- 1.30   0.463% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.76 +/- 0.18  96.649% * 99.9773% (0.98  10.0 10.00   5.00 115.38) =  99.999%  kept
          HA    PHE   72 - HB3   MET   96   9.73 +/- 1.75   3.351% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  96.039% * 99.6213% (1.00  10.0 10.00   5.00 115.38) =  99.998%  kept
          HB2   ASP- 105 - HB3   MET   96   8.70 +/- 1.28   2.584% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HB3   MET   96  11.71 +/- 2.24   0.484% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.66 +/- 4.89   0.362% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.74 +/- 2.64   0.249% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  14.42 +/- 1.46   0.197% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  19.85 +/- 3.41   0.084% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB3   MET   96   2.69 +/- 0.27  99.630% * 99.6261% (1.00  10.0 10.00   4.44 115.38) =  99.999%  kept
        T HB2   PRO   52 - HB3   MET   96  18.48 +/- 2.49   0.370% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.86 +/- 0.20  95.290% * 99.7437% (0.61  10.0 10.00   4.44 115.38) =  99.998%  kept
          HB3   TRP   87 - HB3   MET   96  12.91 +/- 4.25   3.264% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  20.42 +/- 2.70   0.308% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.90 +/- 1.78   0.685% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.25 +/- 1.10   0.452% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   3.12 +/- 0.47  95.507% * 99.6779% (0.98  10.0 10.00   4.44 115.38) =  99.997%  kept
        T HA    MET   96 - HB2   PRO   52  18.26 +/- 2.66   0.618% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   72 - HG2   MET   96  11.03 +/- 1.86   3.498% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  21.09 +/- 2.74   0.376% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.43, residual support = 115.1:
    * O T HB2   MET   96 - HG2   MET   96   2.59 +/- 0.30  86.150% * 96.9187% (1.00  10.0 10.00   4.44 115.38) =  99.763%  kept
          HB2   ASP- 105 - HG2   MET   96   8.56 +/- 1.37   8.254% *  2.3598% (0.41   1.0  1.00   1.18   0.02) =   0.233%  kept
        T HB2   MET   96 - HB2   PRO   52  18.74 +/- 2.29   0.310% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  13.00 +/- 2.23   1.141% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  18.57 +/- 5.00   1.074% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.79 +/- 1.25   0.634% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  14.98 +/- 2.46   0.563% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  20.23 +/- 3.96   0.261% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  17.39 +/- 4.58   0.572% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  20.25 +/- 3.81   0.532% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  20.93 +/- 2.06   0.212% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  25.20 +/- 5.62   0.145% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.60 +/- 2.61   0.069% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  29.67 +/- 5.12   0.083% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG2   MET   96   2.69 +/- 0.27  90.519% * 99.3732% (1.00  10.0 10.00   4.44 115.38) =  99.996%  kept
          HB2   LEU   40 - HG2   MET   96  12.12 +/- 1.94   1.632% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   MET   96 - HB2   PRO   52  18.48 +/- 2.49   0.336% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG2   MET   96  23.50 +/- 5.11   0.730% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.17 +/- 1.00   6.117% *  0.0073% (0.07   1.0  1.00   0.02   1.93) =   0.000%
          HG3   MET   11 - HG2   MET   96  29.40 +/- 5.26   0.113% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.76 +/- 3.22   0.271% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.88 +/- 1.71   0.125% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  35.59 +/- 7.89   0.090% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  31.60 +/- 4.44   0.065% *  0.0253% (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 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  98.313% * 99.2819% (0.61  10.0 10.00   4.00 115.38) =  99.999%  kept
          HB3   TRP   87 - HG2   MET   96  12.86 +/- 3.86   0.708% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  19.79 +/- 2.84   0.082% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  16.39 +/- 2.28   0.168% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.39 +/- 2.12   0.070% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.45 +/- 1.91   0.115% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.42 +/- 1.52   0.091% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.89 +/- 3.34   0.252% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  17.47 +/- 4.24   0.188% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  35.34 +/- 2.26   0.013% *  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   2.49 +/- 0.41  98.318% * 99.9773% (0.59  10.0 10.00   4.44 115.38) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  11.09 +/- 1.87   1.682% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.605, support = 4.43, residual support = 114.9:
    * O T HB2   MET   96 - HG3   MET   96   2.78 +/- 0.21  78.393% * 97.7065% (0.61  10.0 10.00   4.44 115.38) =  99.544%  kept
          HB2   ASP- 105 - HG3   MET   96   7.55 +/- 1.44  17.764% *  1.9622% (0.25   1.0  1.00   0.98   0.02) =   0.453%  kept
          HB    VAL   70 - HG3   MET   96  12.75 +/- 2.41   1.315% *  0.0747% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  18.57 +/- 4.50   1.032% *  0.0671% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.31 +/- 1.07   0.762% *  0.0709% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  15.81 +/- 2.34   0.492% *  0.0632% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  20.51 +/- 3.72   0.243% *  0.0553% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG3   MET   96   2.86 +/- 0.20  97.161% * 99.7402% (0.61  10.0 10.00   4.44 115.38) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  11.74 +/- 1.86   1.700% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  23.44 +/- 4.67   0.595% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HG3   MET   96  20.93 +/- 3.12   0.403% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  29.36 +/- 4.94   0.141% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00  99.916% * 99.6261% (0.61  10.0 10.00   4.00 115.38) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.79 +/- 2.84   0.084% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HB2   PHE   97 - HA    PHE   97   2.80 +/- 0.27  77.844% * 99.7149% (1.00  10.0 10.00   2.89  62.25) =  99.982%  kept
          QE    LYS+ 106 - HA    PHE   97   7.54 +/- 1.38  12.301% *  0.0724% (0.73   1.0  1.00   0.02  10.99) =   0.011%
          HB3   TRP   27 - HA    PHE   97  12.87 +/- 2.90   2.497% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  99 - HA    PHE   97   7.61 +/- 0.83   4.736% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - HA    PHE   97  11.89 +/- 1.97   1.518% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  13.22 +/- 2.26   1.104% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HB3   PHE   97 - HA    PHE   97   2.80 +/- 0.24  96.637% * 99.7224% (0.95  10.0 10.00   3.44  62.25) =  99.997%  kept
          HB2   GLU- 100 - HA    PHE   97  11.46 +/- 0.65   1.564% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  14.99 +/- 1.48   0.699% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PHE   97  17.16 +/- 2.41   0.545% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  17.19 +/- 2.46   0.556% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HA    PHE   97 - HB2   PHE   97   2.80 +/- 0.27 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.25) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.2:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.188% * 99.7224% (0.95  10.0 10.00   3.31  62.25) =  99.999%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.62 +/- 0.82   0.360% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.32 +/- 1.96   0.214% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.48 +/- 3.16   0.149% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.08 +/- 2.24   0.090% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HA    PHE   97 - HB3   PHE   97   2.80 +/- 0.24 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.25) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 3.3, residual support = 61.9:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  84.074% * 95.7284% (0.95  10.0 10.00   3.31  62.25) =  99.314%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.42 +/- 1.35  13.642% *  4.0675% (0.69   1.0  1.00   1.17  10.99) =   0.685%  kept
          HB3   TRP   27 - HB3   PHE   97  14.60 +/- 3.49   0.676% *  0.0955% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB3   PHE   97   8.04 +/- 1.16   1.054% *  0.0394% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   PHE   97  12.53 +/- 2.34   0.332% *  0.0504% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.47 +/- 2.58   0.221% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 76.3:
    * O T QB    LEU   98 - HA    LEU   98   2.23 +/- 0.12  92.430% * 99.2568% (0.87  10.0 10.00   4.97  76.30) =  99.995%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.85 +/- 5.53   1.757% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LEU   98   8.60 +/- 1.01   1.898% *  0.0226% (0.20   1.0  1.00   0.02   0.33) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.86 +/- 2.24   0.272% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  19.95 +/- 5.15   0.227% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.59 +/- 4.38   0.301% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.71 +/- 2.21   0.260% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  15.96 +/- 1.50   0.297% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  20.10 +/- 6.63   0.317% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  14.87 +/- 3.45   0.665% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  13.62 +/- 1.82   0.487% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.13 +/- 2.17   0.650% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.28 +/- 1.68   0.287% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.97 +/- 1.81   0.150% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.954, support = 4.91, residual support = 72.0:
    *   T QD1   LEU   98 - HA    LEU   98   3.00 +/- 0.54  51.081% * 92.8705% (1.00 10.00   4.91  76.30) =  93.370%  kept
          QD2   LEU  104 - HA    LEU   98   3.43 +/- 1.64  47.600% *  7.0763% (0.31  1.00   4.94  11.38) =   6.630%  kept
          QG2   ILE   19 - HA    LEU   98  14.53 +/- 1.94   0.563% *  0.0349% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.90 +/- 1.85   0.756% *  0.0184% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 4.14, residual support = 74.3:
    *   T QD2   LEU   98 - HA    LEU   98   3.78 +/- 0.30  68.074% * 88.9462% (1.00 10.00   4.22  76.30) =  95.934%  kept
          QG2   VAL   41 - HA    LEU   98   5.82 +/- 1.21  25.134% * 10.1278% (0.95  1.00   2.41  27.01) =   4.033%  kept
        T QD1   LEU   80 - HA    LEU   98  17.39 +/- 5.48   2.107% *  0.8895% (1.00 10.00   0.02   0.02) =   0.030%
          QD2   LEU   63 - HA    LEU   98  11.62 +/- 2.87   4.685% *  0.0366% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 76.3:
    * O T HA    LEU   98 - QB    LEU   98   2.23 +/- 0.12 100.000% *100.0000% (0.87  10.0 10.00   4.97  76.30) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 3.93, residual support = 75.6:
    * O T QD1   LEU   98 - QB    LEU   98   2.15 +/- 0.13  81.678% * 94.8046% (0.87  10.0 10.00   3.94  76.30) =  98.985%  kept
          QD2   LEU  104 - QB    LEU   98   4.51 +/- 1.39  16.996% *  4.6519% (0.27   1.0  1.00   3.18  11.38) =   1.011%  kept
        T QG2   ILE   19 - QB    LEU   98  12.42 +/- 2.37   0.672% *  0.3558% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE   19 - QB    LEU   98  11.93 +/- 2.04   0.654% *  0.1876% (0.17   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.855, support = 3.13, residual support = 63.5:
    * O T QD2   LEU   98 - QB    LEU   98   2.07 +/- 0.11  71.494% * 51.1151% (0.87  10.0 10.00   3.27  76.30) =  74.064%  kept
        T QG2   VAL   41 - QB    LEU   98   3.74 +/- 1.36  26.458% * 48.3528% (0.82   1.0 10.00   2.73  27.01) =  25.928%  kept
        T QD1   LEU   80 - QB    LEU   98  14.34 +/- 4.88   0.736% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - QB    LEU   98  10.37 +/- 2.34   1.312% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.91, residual support = 76.3:
    *   T HA    LEU   98 - QD1   LEU   98   3.00 +/- 0.54 100.000% *100.0000% (1.00 10.00   4.91  76.30) = 100.000%  kept
    Distance limit 3.39 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 = 3.93, residual support = 76.3:
    * O T QB    LEU   98 - QD1   LEU   98   2.15 +/- 0.13  86.442% * 98.1517% (0.87  10.0 10.00   3.94  76.30) =  99.982%  kept
          HD3   LYS+ 121 - QD1   LEU   98  11.56 +/- 4.96   4.369% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.006%
        T HG    LEU   80 - QD1   LEU   98  16.02 +/- 6.08   0.754% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HG12  ILE   19 - QD1   LEU   98  14.15 +/- 2.56   0.446% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QD1   LEU   98   7.99 +/- 1.60   3.091% *  0.0224% (0.20   1.0  1.00   0.02   0.33) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  15.93 +/- 5.00   0.510% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  14.36 +/- 2.05   0.415% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   98  18.08 +/- 4.25   0.432% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  12.16 +/- 2.26   1.392% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.93 +/- 1.52   0.373% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.74 +/- 1.46   0.636% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.40 +/- 1.99   0.382% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.40 +/- 2.85   0.574% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.65 +/- 1.89   0.185% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 2.6, residual support = 75.7:
    * O T QD2   LEU   98 - QD1   LEU   98   2.03 +/- 0.06  79.851% * 94.2443% (1.00  10.0 10.00   2.62  76.30) =  98.838%  kept
          QG2   VAL   41 - QD1   LEU   98   4.69 +/- 1.58  18.358% *  4.7745% (0.95   1.0  1.00   1.07  27.01) =   1.151%  kept
        T QD1   LEU   80 - QD1   LEU   98  13.84 +/- 5.10   0.808% *  0.9424% (1.00   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - QD1   LEU   98  10.74 +/- 2.58   0.982% *  0.0387% (0.41   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 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 76.3:
    *   T HA    LEU   98 - QD2   LEU   98   3.78 +/- 0.30  97.088% * 99.4301% (1.00 10.00   4.22  76.30) =  99.983%  kept
        T HA    LEU   98 - QD1   LEU   80  17.39 +/- 5.48   2.912% *  0.5699% (0.57 10.00   0.02   0.02) =   0.017%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.7, support = 3.81, residual support = 79.8:
    * O T QB    LEU   98 - QD2   LEU   98   2.07 +/- 0.11  38.116% * 50.3539% (0.87  10.0 10.00   3.27  76.30) =  63.403%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  35.929% * 16.1964% (0.28  10.0  1.00   4.55  86.01) =  19.224%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.99 +/- 0.41  16.364% * 32.1120% (0.55  10.0 10.00   4.95  86.01) =  17.359%  kept
        T HB2   LEU   80 - QD2   LEU   98  14.98 +/- 5.06   0.292% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LEU   98 - QD1   LEU   80  14.34 +/- 4.88   0.382% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QD2   LEU   98  12.04 +/- 4.78   0.556% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   80  11.78 +/- 3.50   0.893% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD2   LEU   98   7.01 +/- 1.42   1.787% *  0.0115% (0.20   1.0  1.00   0.02   0.33) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  13.11 +/- 2.48   0.213% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  15.09 +/- 6.12   0.431% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  16.99 +/- 8.45   0.440% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  13.53 +/- 3.17   0.229% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  12.50 +/- 4.29   1.150% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.96 +/- 2.06   0.348% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.58 +/- 3.97   0.137% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.05 +/- 2.62   0.393% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.07 +/- 1.81   0.145% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98  11.02 +/- 2.32   0.449% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  13.40 +/- 3.43   0.352% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  20.23 +/- 6.76   0.164% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.36 +/- 3.00   0.182% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.61 +/- 1.80   0.173% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  17.20 +/- 4.96   0.280% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  21.92 +/- 4.59   0.051% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  14.71 +/- 3.87   0.211% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  19.76 +/- 7.19   0.134% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.43 +/- 1.85   0.094% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  16.31 +/- 3.14   0.105% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.99, support = 2.59, residual support = 75.4:
    * O T QD1   LEU   98 - QD2   LEU   98   2.03 +/- 0.06  83.812% * 89.5218% (1.00  10.0 10.00   2.62  76.30) =  98.612%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.25 +/- 1.35  10.801% *  9.7259% (0.31   1.0 10.00   0.70  11.38) =   1.381%  kept
        T QD1   LEU   98 - QD1   LEU   80  13.84 +/- 5.10   0.835% *  0.5131% (0.57   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU  104 - QD1   LEU   80  16.52 +/- 4.89   0.365% *  0.1584% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD1   LEU   80  14.09 +/- 7.19   1.524% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98  11.74 +/- 2.84   0.867% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  11.22 +/- 2.43   0.759% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  14.22 +/- 6.84   1.036% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 172.9:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.25 +/- 0.45  70.239% * 98.5138% (1.00  10.0 10.00   6.44 173.11) =  99.884%  kept
          QG2   THR   39 - HA    LYS+  99   6.96 +/- 2.13  18.931% *  0.3030% (0.65   1.0  1.00   0.10   0.02) =   0.083%
        T HG3   LYS+  38 - HA    LYS+  99  10.72 +/- 2.39   4.593% *  0.3697% (0.38   1.0 10.00   0.02   0.02) =   0.025%
          HG    LEU   71 - HA    LYS+  99  11.04 +/- 3.05   3.491% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HG12  ILE   89 - HA    LYS+  99  23.49 +/- 3.67   0.260% *  0.4050% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  99  15.56 +/- 1.99   0.873% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    LYS+  99  18.28 +/- 2.10   0.480% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  20.10 +/- 1.88   0.386% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  18.30 +/- 1.72   0.501% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  22.68 +/- 1.71   0.244% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 5.89, residual support = 173.1:
    *   T QD    LYS+  99 - HA    LYS+  99   3.70 +/- 0.75  35.675% * 69.7607% (1.00   1.0 10.00   5.82 173.11) =  59.645%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.83 +/- 0.32  58.676% * 28.6795% (0.41  10.0 10.00   6.00 173.11) =  40.330%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.10 +/- 1.08   1.147% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.019%
        T HB2   LEU  123 - HA    LYS+  99  18.47 +/- 5.23   0.361% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HA    LYS+  99  18.35 +/- 1.54   0.226% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+  99   8.39 +/- 1.02   3.036% *  0.0155% (0.22   1.0  1.00   0.02   1.54) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  15.22 +/- 2.49   0.495% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+  99  22.03 +/- 0.83   0.128% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.52 +/- 1.30   0.109% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.81 +/- 1.40   0.146% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.986, support = 7.0, residual support = 170.4:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.92 +/- 0.42  61.031% * 95.0065% (1.00  10.0 10.00   7.07 173.11) =  98.269%  kept
          HG    LEU   98 - HA    LYS+  99   4.65 +/- 1.24  27.679% *  3.5907% (0.22   1.0  1.00   3.40  18.60) =   1.684%  kept
        T HG2   LYS+  38 - HA    LYS+  99  10.10 +/- 2.16   2.290% *  0.9313% (0.98   1.0 10.00   0.02   0.02) =   0.036%
          HB2   LEU   31 - HA    LYS+  99  10.63 +/- 3.06   6.024% *  0.0794% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU   63 - HA    LYS+  99  15.53 +/- 2.32   0.598% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+  99  15.63 +/- 1.64   0.478% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  16.64 +/- 5.79   0.645% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  22.33 +/- 5.44   0.263% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  21.87 +/- 3.43   0.203% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.47 +/- 1.67   0.407% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.17 +/- 1.51   0.154% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  20.40 +/- 2.66   0.229% *  0.0147% (0.15   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 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.994, support = 5.17, residual support = 165.2:
    *   T QE    LYS+  99 - HA    LYS+  99   3.56 +/- 0.86  61.877% * 81.0798% (1.00 10.00   5.40 173.11) =  95.443%  kept
        T QE    LYS+  38 - HA    LYS+  99   9.54 +/- 2.29  16.042% * 12.3070% (0.90 10.00   0.34   0.02) =   3.756%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.50 +/- 0.62   6.355% *  6.5435% (0.69 10.00   0.23   1.54) =   0.791%  kept
          HB2   PHE   97 - HA    LYS+  99   7.37 +/- 0.81  10.380% *  0.0333% (0.41  1.00   0.02   0.02) =   0.007%
          HB3   TRP   27 - HA    LYS+  99  13.88 +/- 3.42   5.347% *  0.0364% (0.45  1.00   0.02   0.02) =   0.004%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.99, residual support = 172.8:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.57 +/- 0.22  85.947% * 98.1250% (1.00  10.0 10.00   7.00 173.11) =  99.837%  kept
          HA    LEU   40 - HB2   LYS+  99   6.93 +/- 2.57   9.244% *  1.4543% (0.25   1.0  1.00   1.19   7.33) =   0.159%  kept
          HA    ASN   35 - HB2   LYS+  99  10.72 +/- 3.19   2.396% *  0.0947% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB2   LYS+  99  16.94 +/- 6.25   0.810% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LYS+  99  20.88 +/- 2.02   0.199% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.06 +/- 2.45   0.172% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.98 +/- 2.60   0.347% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  21.44 +/- 4.13   0.392% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.18 +/- 2.91   0.310% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.21 +/- 2.11   0.183% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.43, residual support = 173.0:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.59 +/- 0.22  89.208% * 97.9782% (1.00  10.0 10.00   6.44 173.11) =  99.939%  kept
          QG2   THR   39 - HB2   LYS+  99   8.36 +/- 2.26   5.061% *  0.8451% (0.65   1.0  1.00   0.27   0.02) =   0.049%
        T HG3   LYS+  38 - HB2   LYS+  99  12.04 +/- 3.14   1.774% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   71 - HB2   LYS+  99  11.62 +/- 3.61   2.302% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - HB2   LYS+  99  23.65 +/- 3.45   0.151% *  0.4028% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  99  15.98 +/- 1.84   0.475% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  18.73 +/- 2.21   0.303% *  0.0978% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  20.16 +/- 1.66   0.217% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.82 +/- 1.77   0.325% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  21.62 +/- 1.88   0.184% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.704, support = 5.22, residual support = 173.1:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  69.839% * 29.0322% (0.41  10.0   4.75 173.11) =  50.341%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.51 +/- 0.39  28.322% * 70.6187% (1.00  10.0   5.69 173.11) =  49.658%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.36 +/- 1.39   0.437% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   8.62 +/- 1.26   0.901% *  0.0157% (0.22   1.0   0.02   1.54) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  15.71 +/- 2.67   0.172% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  17.17 +/- 5.37   0.143% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.75 +/- 1.61   0.073% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  21.69 +/- 0.91   0.037% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.40 +/- 1.49   0.035% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.45 +/- 1.16   0.040% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 7.02, residual support = 172.2:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.97 +/- 0.12  77.766% * 96.1404% (1.00  10.0   7.04 173.11) =  99.433%  kept
          HG    LEU   98 - HB2   LYS+  99   5.74 +/- 0.82  12.766% *  3.2881% (0.22   1.0   3.07  18.60) =   0.558%  kept
          HG2   LYS+  38 - HB2   LYS+  99  11.49 +/- 2.80   2.410% *  0.0942% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HB2   LYS+  99  11.78 +/- 2.91   2.753% *  0.0803% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HB2   LYS+  99  15.19 +/- 2.59   0.869% *  0.0544% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  99  15.61 +/- 5.87   1.269% *  0.0297% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+  99  15.65 +/- 1.72   0.606% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.10 +/- 1.70   0.234% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  23.02 +/- 5.25   0.287% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  22.07 +/- 3.11   0.249% *  0.0698% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  16.70 +/- 1.63   0.514% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  20.76 +/- 2.51   0.277% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.12, residual support = 170.7:
    *     QE    LYS+  99 - HB2   LYS+  99   3.05 +/- 0.63  64.632% * 93.8295% (1.00   5.19 173.11) =  98.631%  kept
          QE    LYS+  38 - HB2   LYS+  99  10.69 +/- 2.88  14.370% *  5.6115% (0.90   0.35   0.02) =   1.311%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.25 +/- 0.75  11.719% *  0.1486% (0.41   0.02   0.02) =   0.028%
          HB3   TRP   27 - HB2   LYS+  99  14.48 +/- 4.08   5.919% *  0.1621% (0.45   0.02   0.02) =   0.016%
          QE    LYS+ 102 - HB2   LYS+  99   8.75 +/- 0.97   3.360% *  0.2483% (0.69   0.02   1.54) =   0.014%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.0:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.25 +/- 0.45  47.344% * 97.9094% (1.00  10.0 10.00   6.44 173.11) =  99.963%  kept
          HA    ASN   35 - HG3   LYS+  99   9.89 +/- 3.69   5.968% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.012%
        T HA    LYS+  99 - HG3   LYS+  38  10.72 +/- 2.39   3.065% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASN   35 - HG3   LYS+  38   4.82 +/- 1.61  24.293% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU   40 - HG3   LYS+  99   7.71 +/- 2.81   8.905% *  0.0244% (0.25   1.0  1.00   0.02   7.33) =   0.005%
        T HA    ILE   56 - HG3   LYS+  99  24.07 +/- 2.45   0.169% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - HG12  ILE   89  23.49 +/- 3.67   0.174% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG3   LYS+  99  17.88 +/- 6.58   0.540% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG12  ILE   89  17.12 +/- 3.58   0.492% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  22.81 +/- 2.22   0.159% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.42 +/- 8.68   1.070% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  28.22 +/- 2.54   0.094% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.93 +/- 1.00   3.035% *  0.0025% (0.03   1.0  1.00   0.02   0.99) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  20.86 +/- 2.53   0.231% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.75 +/- 2.62   0.289% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.46 +/- 4.61   0.403% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  18.31 +/- 3.09   0.365% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  28.44 +/- 4.36   0.117% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.28 +/- 4.79   0.563% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  20.18 +/- 3.62   0.296% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  28.69 +/- 3.47   0.077% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.96 +/- 2.16   0.169% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  22.74 +/- 3.41   0.198% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  29.07 +/- 7.27   0.310% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.22 +/- 3.81   0.699% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  28.45 +/- 3.85   0.101% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  23.11 +/- 3.62   0.258% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  31.25 +/- 6.07   0.109% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  18.41 +/- 3.77   0.346% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  25.74 +/- 3.63   0.160% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.924, support = 4.71, residual support = 176.6:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.86 +/- 0.55  37.019% * 89.0505% (1.00  10.0 10.00   4.75 173.11) =  91.349%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.87 +/- 0.51  36.162% *  8.3338% (0.09  10.0 10.00   4.39 220.94) =   8.351%  kept
        T QE    LYS+  38 - HG3   LYS+  99   9.95 +/- 3.37  11.083% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.245%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   9.29 +/- 1.51   1.981% *  0.6117% (0.69   1.0 10.00   0.02   1.54) =   0.034%
        T QE    LYS+  99 - HG3   LYS+  38   9.31 +/- 3.47   3.250% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.008%
          HB3   TRP   27 - HG3   LYS+  99  15.40 +/- 4.66   7.381% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.008%
          HB2   PHE   97 - HG3   LYS+  99   8.52 +/- 0.78   1.464% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG12  ILE   89  22.64 +/- 3.02   0.097% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG12  ILE   89  20.74 +/- 3.28   0.124% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  38  15.19 +/- 3.71   0.453% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  25.98 +/- 4.05   0.076% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG12  ILE   89  20.41 +/- 5.19   0.288% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  19.33 +/- 2.80   0.153% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  16.66 +/- 2.22   0.243% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.32 +/- 2.22   0.227% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.997, support = 5.8, residual support = 172.7:
    *   T HA    LYS+  99 - QD    LYS+  99   3.70 +/- 0.75  47.203% * 95.4380% (1.00 10.00   5.82 173.11) =  99.742%  kept
          HA    LEU   40 - QD    LYS+  99   6.92 +/- 3.21  19.454% *  0.2240% (0.25  1.00   0.19   7.33) =   0.096%
        T HA    LEU  123 - QD    LYS+  99  15.03 +/- 5.87   2.469% *  0.8279% (0.87 10.00   0.02   0.02) =   0.045%
        T HA    LYS+  99 - QD    LYS+ 106  11.10 +/- 1.08   2.630% *  0.7684% (0.81 10.00   0.02   0.02) =   0.045%
          HA    ASN   35 - QD    LYS+  99   9.22 +/- 3.26  10.689% *  0.0921% (0.97  1.00   0.02   0.02) =   0.022%
        T HA    ILE   56 - QD    LYS+ 106  16.25 +/- 3.10   1.120% *  0.7269% (0.76 10.00   0.02   0.02) =   0.018%
        T HA    LEU  123 - QD    LYS+ 106  18.76 +/- 4.15   1.115% *  0.6665% (0.70 10.00   0.02   0.02) =   0.016%
        T HA    ILE   56 - QD    LYS+  99  20.86 +/- 2.39   0.349% *  0.9028% (0.95 10.00   0.02   0.02) =   0.007%
          HA    PHE   59 - QD    LYS+ 106  15.46 +/- 3.47   6.990% *  0.0192% (0.20  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD    LYS+ 106  14.76 +/- 1.60   1.178% *  0.0642% (0.67  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QD    LYS+ 106  18.24 +/- 2.42   0.664% *  0.0742% (0.78  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  19.53 +/- 2.14   0.472% *  0.0797% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.00 +/- 1.68   1.641% *  0.0192% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  16.90 +/- 2.68   0.737% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  18.05 +/- 2.99   1.162% *  0.0119% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  16.37 +/- 3.12   0.703% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.76 +/- 2.43   0.406% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.31 +/- 3.91   0.406% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.87 +/- 3.98   0.384% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  24.71 +/- 4.26   0.229% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.85, residual support = 172.9:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.36 +/- 0.15  78.239% * 94.9894% (1.00  10.0  1.00   5.85 173.11) =  99.848%  kept
          HG    LEU   98 - QD    LYS+  99   7.06 +/- 0.98   3.918% *  2.5139% (0.22   1.0  1.00   2.38  18.60) =   0.132%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  12.20 +/- 2.04   0.777% *  0.6859% (0.72   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+  38 - QD    LYS+  99   9.69 +/- 3.30   2.608% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - QD    LYS+  99  10.97 +/- 2.89   1.585% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  99  20.13 +/- 1.74   0.147% *  0.8519% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    LYS+ 106  14.57 +/- 3.60   1.915% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.45 +/- 1.30   0.614% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+ 106  11.38 +/- 2.18   1.291% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+ 106  11.19 +/- 2.58   1.440% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    LYS+ 106  13.43 +/- 2.77   0.671% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  99  13.50 +/- 5.56   1.175% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.89 +/- 1.49   2.017% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  14.42 +/- 2.82   0.588% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.78 +/- 5.37   0.577% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.21 +/- 3.67   0.403% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.52 +/- 2.03   0.340% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.92 +/- 1.68   0.170% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.27 +/- 1.73   0.278% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  22.22 +/- 4.46   0.137% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  21.23 +/- 2.63   0.127% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  13.79 +/- 2.34   0.565% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  17.70 +/- 3.82   0.271% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  20.01 +/- 2.15   0.146% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.27, residual support = 173.0:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.33 +/- 0.15  78.418% * 94.6730% (1.00  10.0 10.00   5.27 173.11) =  99.944%  kept
        T HG3   LYS+  38 - QD    LYS+  99  10.08 +/- 3.63   4.339% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.021%
        T HG3   LYS+  99 - QD    LYS+ 106  12.20 +/- 1.43   0.720% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.007%
          QG2   THR   39 - QD    LYS+  99   7.76 +/- 2.65   8.156% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.007%
        T HG12  ILE   89 - QD    LYS+ 106  14.17 +/- 3.37   0.797% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  99  17.94 +/- 2.65   0.253% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+ 106  16.64 +/- 2.34   0.268% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QD    LYS+  99  10.93 +/- 4.09   1.918% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+ 106  12.66 +/- 2.01   0.619% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   ILE   56 - QD    LYS+ 106  12.56 +/- 2.49   0.851% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QD    LYS+ 106  12.36 +/- 2.59   1.199% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  17.01 +/- 1.85   0.227% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.41 +/- 2.04   0.157% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  20.58 +/- 1.89   0.136% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+ 106  15.64 +/- 3.77   0.541% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+  99  22.91 +/- 2.88   0.103% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  14.81 +/- 2.56   0.424% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+ 106  13.15 +/- 1.79   0.527% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.52 +/- 2.46   0.203% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.50 +/- 1.62   0.145% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.39, residual support = 171.6:
    * O T QE    LYS+  99 - QD    LYS+  99   2.08 +/- 0.03  77.764% * 84.9707% (1.00  10.0 10.00   4.42 173.11) =  99.107%  kept
        T QE    LYS+  38 - QD    LYS+  99   9.14 +/- 2.87   3.416% * 10.3698% (0.90   1.0 10.00   0.27   0.02) =   0.531%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.54 +/- 1.28   9.754% *  2.2044% (0.33   1.0  1.00   1.57  10.99) =   0.322%  kept
        T QE    LYS+ 102 - QD    LYS+  99   8.97 +/- 1.40   1.597% *  0.5837% (0.69   1.0 10.00   0.02   1.54) =   0.014%
        T QE    LYS+ 102 - QD    LYS+ 106   8.57 +/- 2.07   1.893% *  0.4699% (0.55   1.0 10.00   0.02   0.02) =   0.013%
        T QE    LYS+  99 - QD    LYS+ 106  11.03 +/- 1.82   0.771% *  0.6841% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  38 - QD    LYS+ 106  16.99 +/- 1.86   0.164% *  0.6136% (0.72   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.29 +/- 0.94   2.321% *  0.0349% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  13.87 +/- 4.11   2.057% *  0.0381% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+ 106  15.95 +/- 3.24   0.264% *  0.0307% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.979, support = 5.25, residual support = 167.8:
    *   T HA    LYS+  99 - QE    LYS+  99   3.56 +/- 0.86  26.503% * 86.4916% (1.00 10.00   5.40 173.11) =  96.855%  kept
        T HA    LYS+  99 - QE    LYS+  38   9.54 +/- 2.29   7.626% *  3.9493% (0.27 10.00   0.34   0.02) =   1.273%  kept
          HA    LEU   40 - QE    LYS+  99   6.14 +/- 3.27  15.371% *  1.6054% (0.25  1.00   1.49   7.33) =   1.043%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.50 +/- 0.62   2.342% *  6.9302% (0.68 10.00   0.23   1.54) =   0.686%  kept
          HA    LEU   40 - QE    LYS+  38   7.68 +/- 1.67   6.262% *  0.2850% (0.07  1.00   0.98   0.99) =   0.075%
          HA    ASN   35 - QE    LYS+  99   8.34 +/- 3.41  10.154% *  0.0835% (0.97  1.00   0.02   0.02) =   0.036%
          HA    ASN   35 - QE    LYS+  38   5.33 +/- 1.44  12.400% *  0.0225% (0.26  1.00   0.02   0.02) =   0.012%
          HA    ASN   35 - QE    LYS+ 102  14.40 +/- 3.45   2.475% *  0.0569% (0.66  1.00   0.02   0.02) =   0.006%
          HA    LEU  123 - QE    LYS+  99  15.09 +/- 6.09   1.501% *  0.0750% (0.87  1.00   0.02   0.02) =   0.005%
          HA    LEU   40 - QE    LYS+ 102  11.40 +/- 3.28   6.695% *  0.0147% (0.17  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - QE    LYS+  38  18.01 +/- 8.27   2.204% *  0.0202% (0.23  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+ 102  20.89 +/- 5.97   0.445% *  0.0512% (0.59  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  19.63 +/- 2.40   0.210% *  0.0722% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - QE    LYS+  99  20.79 +/- 2.09   0.152% *  0.0818% (0.95  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QE    LYS+ 102  23.47 +/- 6.78   1.462% *  0.0080% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.80 +/- 2.50   0.348% *  0.0216% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.76 +/- 2.29   0.150% *  0.0493% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.12 +/- 2.66   0.118% *  0.0558% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  15.85 +/- 3.48   0.343% *  0.0117% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.44 +/- 3.47   0.138% *  0.0221% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  20.79 +/- 2.97   0.202% *  0.0147% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.03 +/- 4.83   0.369% *  0.0080% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  14.31 +/- 3.69   0.928% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.61 +/- 2.27   0.189% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  24.77 +/- 4.15   0.125% *  0.0195% (0.23  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.75 +/- 3.74   0.200% *  0.0117% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  19.91 +/- 4.22   0.307% *  0.0058% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  16.28 +/- 3.74   0.441% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.56 +/- 2.15   0.116% *  0.0091% (0.11  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  22.23 +/- 4.30   0.223% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.528, support = 4.59, residual support = 173.0:
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.03  64.621% * 59.4491% (0.41  10.0 10.00   4.42 173.11) =  80.091%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.39 +/- 0.78  24.920% * 38.2330% (1.00   1.0  1.00   5.29 173.11) =  19.864%  kept
        T QD    LYS+ 106 - QE    LYS+ 102   8.57 +/- 2.07   1.623% *  0.3701% (0.26   1.0 10.00   0.02   0.02) =   0.013%
        T QD    LYS+  99 - QE    LYS+ 102   8.97 +/- 1.40   1.318% *  0.4054% (0.28   1.0 10.00   0.02   1.54) =   0.011%
        T QD    LYS+  99 - QE    LYS+  38   9.14 +/- 2.87   2.600% *  0.1604% (0.11   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 106 - QE    LYS+  99  11.03 +/- 1.82   0.657% *  0.5427% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+  99 - QE    LYS+ 102   8.55 +/- 0.96   1.104% *  0.0986% (0.68   1.0  1.00   0.02   1.54) =   0.002%
          HB3   LYS+  99 - QE    LYS+  38  10.73 +/- 2.58   1.806% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  38  16.99 +/- 1.86   0.133% *  0.1464% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  16.86 +/- 1.56   0.135% *  0.1417% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.96 +/- 2.37   0.102% *  0.0967% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.67 +/- 2.47   0.283% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  22.54 +/- 2.89   0.059% *  0.1105% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  20.73 +/- 3.59   0.085% *  0.0754% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.17 +/- 3.30   0.104% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.88 +/- 2.87   0.145% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.71 +/- 3.35   0.263% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  25.92 +/- 3.83   0.043% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.913, support = 4.69, residual support = 175.8:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.86 +/- 0.55  32.306% * 84.2555% (1.00  10.0 10.00   4.75 173.11) =  90.107%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.87 +/- 0.51  31.589% *  8.5311% (0.10  10.0 10.00   4.39 220.94) =   8.921%  kept
          QG2   THR   39 - QE    LYS+  38   5.92 +/- 1.20   5.892% *  2.6469% (0.17   1.0  1.00   3.60  29.75) =   0.516%  kept
          QG2   THR   39 - QE    LYS+  99   7.00 +/- 2.67   4.967% *  1.8378% (0.65   1.0  1.00   0.67   0.02) =   0.302%  kept
        T HG3   LYS+  99 - QE    LYS+  38   9.95 +/- 3.37   9.749% *  0.2273% (0.27   1.0 10.00   0.02   0.02) =   0.073%
        T HG3   LYS+  99 - QE    LYS+ 102   9.29 +/- 1.51   1.705% *  0.5746% (0.68   1.0 10.00   0.02   1.54) =   0.032%
        T HG3   LYS+  38 - QE    LYS+  99   9.31 +/- 3.47   2.837% *  0.3162% (0.38   1.0 10.00   0.02   0.02) =   0.030%
          HG    LEU   71 - QE    LYS+  99  10.07 +/- 4.07   1.793% *  0.0835% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   71 - QE    LYS+  38   9.97 +/- 2.67   4.102% *  0.0225% (0.27   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  38 - QE    LYS+ 102  15.19 +/- 3.71   0.396% *  0.2157% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - QE    LYS+ 102  10.86 +/- 3.33   1.452% *  0.0372% (0.44   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  99  22.64 +/- 3.02   0.084% *  0.3464% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QE    LYS+ 102  20.74 +/- 3.28   0.107% *  0.2362% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  99  14.36 +/- 2.42   0.310% *  0.0797% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  38  14.44 +/- 3.46   0.757% *  0.0215% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 102  15.47 +/- 3.87   0.282% *  0.0570% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  17.33 +/- 2.66   0.153% *  0.0841% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  18.89 +/- 3.26   0.134% *  0.0544% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.33 +/- 1.61   0.122% *  0.0545% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  25.98 +/- 4.05   0.065% *  0.0934% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  18.21 +/- 2.40   0.150% *  0.0372% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.59 +/- 2.46   0.084% *  0.0573% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  18.16 +/- 3.47   0.192% *  0.0227% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.88 +/- 1.67   0.171% *  0.0188% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  20.74 +/- 2.19   0.101% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  20.97 +/- 2.33   0.100% *  0.0196% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.50 +/- 2.41   0.127% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  22.23 +/- 2.41   0.087% *  0.0147% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  19.89 +/- 3.01   0.133% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  26.20 +/- 2.95   0.053% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.76 +/- 0.24  70.383% * 99.1823% (1.00  10.0 10.00   4.26  75.74) =  99.987%  kept
          QG    GLN   32 - HA    GLU- 100  11.16 +/- 4.13  19.922% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   GLU- 100 - HA    LYS+  38   9.47 +/- 2.15   3.252% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HA    GLU- 100  11.76 +/- 0.73   0.963% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  26.41 +/- 2.35   0.094% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  22.11 +/- 3.56   0.200% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  24.60 +/- 2.10   0.107% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.80 +/- 1.04   4.051% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  24.48 +/- 2.83   0.120% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  14.36 +/- 1.92   0.592% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  24.20 +/- 3.76   0.126% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.56 +/- 2.78   0.189% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.53 +/- 0.26  80.421% * 99.2716% (1.00  10.0 10.00   4.26  75.74) =  99.989%  kept
          HG3   GLN   30 - HA    GLU- 100  14.06 +/- 4.07   4.196% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLN   30 - HA    GLU- 100  12.89 +/- 3.32   2.023% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   GLU- 100 - HA    LYS+  38   9.09 +/- 2.01   3.041% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HA    LYS+  38   9.92 +/- 2.06   3.285% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.93 +/- 3.56   0.169% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  18.87 +/- 3.44   0.284% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.38 +/- 0.77   0.175% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  11.69 +/- 2.25   1.841% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.46 +/- 4.45   0.444% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  17.41 +/- 3.52   0.356% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.49 +/- 1.59   0.117% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.05 +/- 3.14   0.054% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  14.83 +/- 2.61   0.803% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.98 +/- 1.63   0.086% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  20.83 +/- 5.02   0.397% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.95 +/- 3.60   1.194% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  16.04 +/- 3.60   0.715% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.56 +/- 1.68   0.120% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  23.71 +/- 2.31   0.132% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  30.12 +/- 3.52   0.069% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  27.25 +/- 2.21   0.079% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   3.00 +/- 0.52  75.367% * 99.4988% (1.00  10.0 10.00   4.72  75.74) =  99.987%  kept
        T HG2   GLU- 100 - HA    LYS+  38   8.35 +/- 2.64  11.219% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          HB2   MET   96 - HA    GLU- 100  13.30 +/- 1.02   1.153% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.44 +/- 1.20   0.802% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU- 100  15.67 +/- 4.04   1.552% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU- 100  14.99 +/- 2.81   1.274% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    GLU- 100  18.43 +/- 4.08   1.198% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  23.30 +/- 2.96   0.269% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.62 +/- 4.22   0.554% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.31 +/- 1.24   0.136% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.87 +/- 1.79   1.642% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  15.51 +/- 1.40   0.653% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  14.44 +/- 3.40   1.856% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.44 +/- 2.39   0.482% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  13.43 +/- 1.78   1.075% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  22.11 +/- 2.03   0.266% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  18.69 +/- 1.59   0.389% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  27.81 +/- 2.07   0.114% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.76 +/- 0.24  95.103% * 98.6741% (1.00  10.0 10.00   4.26  75.74) =  99.988%  kept
        T HA    LYS+  38 - HB2   GLU- 100   9.47 +/- 2.15   4.449% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   PRO   58 - HB2   GLU- 100  27.52 +/- 2.02   0.108% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB2   GLU- 100  25.67 +/- 5.82   0.242% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.68 +/- 2.55   0.099% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  96.878% * 99.3690% (1.00  10.0 10.00   2.00  75.74) =  99.997%  kept
          HG3   GLN   30 - HB2   GLU- 100  14.98 +/- 4.02   1.969% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HB2   GLU- 100  13.87 +/- 3.21   0.597% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HB2   GLU- 100  19.53 +/- 3.80   0.111% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  22.12 +/- 3.68   0.060% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.95 +/- 1.02   0.058% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.84 +/- 3.44   0.127% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  21.03 +/- 4.15   0.113% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.51 +/- 1.54   0.038% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.01 +/- 2.82   0.018% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.34 +/- 1.97   0.030% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.97 +/- 0.16  93.862% * 99.5837% (1.00  10.0 10.00   3.24  75.74) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  14.53 +/- 1.47   1.023% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.39 +/- 1.05   0.877% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU- 100  16.56 +/- 3.83   1.231% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  15.88 +/- 2.88   1.266% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  18.88 +/- 3.85   1.023% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  24.79 +/- 2.63   0.176% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  21.61 +/- 4.13   0.415% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.34 +/- 1.53   0.127% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.53 +/- 0.26  96.027% * 99.5406% (1.00  10.0 10.00   4.26  75.74) =  99.991%  kept
        T HA    LYS+  38 - HB3   GLU- 100   9.09 +/- 2.01   3.627% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   83 - HB3   GLU- 100  25.59 +/- 5.59   0.180% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  27.80 +/- 2.03   0.084% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.87 +/- 2.52   0.081% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  95.963% * 99.6840% (1.00  10.0 10.00   2.00  75.74) =  99.999%  kept
          QG    GLN   32 - HB3   GLU- 100  11.16 +/- 3.84   3.637% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HB3   GLU- 100  12.52 +/- 0.98   0.283% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.26 +/- 2.43   0.035% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  23.42 +/- 3.49   0.055% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  27.26 +/- 2.30   0.027% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.66 +/- 0.15  95.334% * 99.0882% (1.00  10.0 10.00   3.24  75.74) =  99.994%  kept
        T HB    VAL   70 - HB3   GLU- 100  16.03 +/- 2.74   0.827% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QG    GLN   17 - HB3   GLU- 100  18.73 +/- 3.67   0.512% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB3   GLU- 100  16.00 +/- 4.14   1.467% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   GLU- 100  14.99 +/- 1.40   0.617% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.57 +/- 0.86   0.609% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  24.70 +/- 2.82   0.139% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.03 +/- 4.49   0.402% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  27.50 +/- 1.65   0.093% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.16 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   3.00 +/- 0.52  86.499% * 99.5406% (1.00  10.0 10.00   4.72  75.74) =  99.966%  kept
        T HA    LYS+  38 - HG2   GLU- 100   8.35 +/- 2.64  12.873% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.033%
          HA    VAL   83 - HG2   GLU- 100  25.58 +/- 5.12   0.260% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  26.38 +/- 2.48   0.173% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.75 +/- 2.85   0.195% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 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   2.97 +/- 0.16  89.624% * 99.6840% (1.00  10.0 10.00   3.24  75.74) =  99.995%  kept
          QG    GLN   32 - HG2   GLU- 100  11.14 +/- 3.55   8.057% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG2   GLU- 100  11.48 +/- 1.07   1.720% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - HG2   GLU- 100  23.85 +/- 2.58   0.199% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.08 +/- 3.08   0.242% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  25.76 +/- 2.60   0.159% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.66 +/- 0.15  84.752% * 98.4783% (1.00  10.0 10.00   3.24  75.74) =  99.980%  kept
          HG3   GLN   30 - HG2   GLU- 100  13.92 +/- 4.26   9.353% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.010%
          HB2   GLN   30 - HG2   GLU- 100  12.80 +/- 3.55   3.963% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   PRO   68 - HG2   GLU- 100  18.44 +/- 4.05   0.423% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T QB    GLU-  15 - HG2   GLU- 100  16.96 +/- 3.23   0.484% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   17 - HG2   GLU- 100  20.00 +/- 3.52   0.311% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   GLU- 100  21.03 +/- 3.75   0.221% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  20.65 +/- 1.29   0.198% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  23.79 +/- 1.33   0.126% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  30.99 +/- 3.11   0.064% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  25.73 +/- 2.01   0.104% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00  99.931% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  21.47 +/- 3.16   0.069% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  98.568% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ASN   28 - HA2   GLY  101  15.33 +/- 4.77   0.627% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HA2   GLY  101  12.12 +/- 1.95   0.436% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.08 +/- 4.86   0.164% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  20.90 +/- 1.56   0.061% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.99 +/- 2.29   0.048% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  23.18 +/- 6.94   0.071% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.84 +/- 3.41   0.026% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 6.31, residual support = 156.4:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.38 +/- 0.14  82.281% * 90.1374% (1.00  10.0 10.00   6.31 158.66) =  98.350%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.85 +/- 0.68  13.645% *  9.0317% (0.34   1.0  1.00   5.87  23.51) =   1.634%  kept
        T HB    VAL   41 - HA    LYS+ 102   8.83 +/- 2.09   2.466% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.014%
          HB2   LEU   71 - HA    LYS+ 102  14.57 +/- 3.24   0.517% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+ 102  22.49 +/- 4.77   0.501% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.53 +/- 2.11   0.122% *  0.0884% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  20.19 +/- 2.77   0.163% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.09 +/- 1.07   0.108% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  22.67 +/- 5.07   0.136% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  27.49 +/- 2.88   0.062% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 158.6:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.11 +/- 0.59  90.309% * 99.3298% (1.00  10.0 10.00   5.75 158.66) =  99.993%  kept
          HG    LEU   40 - HA    LYS+ 102  12.43 +/- 2.84   2.632% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    LYS+ 102  17.46 +/- 2.71   0.843% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  19.14 +/- 3.76   0.931% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 102  18.98 +/- 3.65   0.772% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    LYS+ 102  21.25 +/- 3.15   0.506% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.28 +/- 1.30   0.513% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.05 +/- 1.80   0.487% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.38 +/- 3.98   1.017% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  22.49 +/- 7.20   0.497% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  18.92 +/- 1.41   0.532% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.50 +/- 3.05   0.526% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.23 +/- 1.92   0.435% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.995, support = 5.02, residual support = 157.4:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.08 +/- 0.72  53.992% * 94.8395% (1.00  10.0 10.00   5.05 158.66) =  99.224%  kept
          QB    LEU   98 - HA    LYS+ 102   4.74 +/- 0.73  18.711% *  1.9631% (0.34   1.0  1.00   1.21   2.15) =   0.712%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.69 +/- 1.25   2.038% *  0.8971% (0.95   1.0 10.00   0.02   0.02) =   0.035%
        T HG3   LYS+  33 - HA    LYS+ 102  15.50 +/- 2.05   0.657% *  0.8971% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   98 - HA    LYS+ 102   5.48 +/- 1.41  20.171% *  0.0264% (0.28   1.0  1.00   0.02   2.15) =   0.010%
        T HG3   LYS+  65 - HA    LYS+ 102  24.41 +/- 1.94   0.137% *  0.9296% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+ 102  12.78 +/- 1.43   1.075% *  0.0930% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+ 102  23.02 +/- 6.43   1.168% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    LYS+ 102  17.80 +/- 2.35   0.391% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+ 102  19.78 +/- 6.15   0.812% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  24.43 +/- 0.93   0.137% *  0.0940% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  20.02 +/- 3.14   0.262% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.57 +/- 1.32   0.214% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  20.66 +/- 2.32   0.235% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.6:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.29 +/- 0.81  77.309% * 98.2489% (1.00 10.00   5.05 158.66) =  99.983%  kept
          QD    LYS+  38 - HA    LYS+ 102  13.55 +/- 3.22   4.163% *  0.0787% (0.80  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HA    LYS+ 102  22.91 +/- 2.23   0.363% *  0.5562% (0.57 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.64 +/- 1.47   0.277% *  0.6749% (0.69 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HA    LYS+ 102   8.14 +/- 0.99   8.105% *  0.0219% (0.22  1.00   0.02   1.54) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   9.32 +/- 1.67   5.484% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LYS+ 102  16.45 +/- 5.54   1.525% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  22.02 +/- 5.53   0.498% *  0.0907% (0.92  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 102  21.52 +/- 5.57   0.677% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 102  18.29 +/- 2.52   0.870% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.73 +/- 1.29   0.346% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.84 +/- 1.50   0.384% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 158.3:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.47 +/- 0.47  76.958% * 98.4155% (1.00 10.00   5.05 158.66) =  99.760%  kept
        T QE    LYS+  38 - HA    LYS+ 102  13.33 +/- 3.27  11.319% *  0.9085% (0.92 10.00   0.02   0.02) =   0.135%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.19 +/- 1.58  11.723% *  0.6760% (0.69 10.00   0.02   1.54) =   0.104%  kept
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 158.6:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.38 +/- 0.14  93.564% * 99.1785% (1.00  10.0 10.00   6.31 158.66) =  99.985%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.83 +/- 2.09   2.792% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.013%
          HA    CYS   21 - QB    LYS+ 102  19.26 +/- 4.17   0.977% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB    VAL   41  15.03 +/- 2.95   0.686% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.28 +/- 3.95   0.158% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  18.88 +/- 0.98   0.200% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.43 +/- 3.61   0.446% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  25.15 +/- 3.90   0.176% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  15.11 +/- 3.11   0.568% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.57 +/- 1.60   0.188% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  23.39 +/- 2.72   0.122% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.34 +/- 2.11   0.123% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 0.997, support = 5.3, residual support = 158.0:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.35 +/- 0.13  78.597% * 89.5046% (1.00  10.0 10.00   5.31 158.66) =  99.534%  kept
          HG    LEU   40 - HB    VAL   41   6.66 +/- 0.78   4.301% *  6.2297% (0.36   1.0  1.00   3.87  21.05) =   0.379%  kept
          HG    LEU   73 - HB    VAL   41  10.51 +/- 3.27   3.594% *  1.2453% (0.44   1.0  1.00   0.63   0.02) =   0.063%
        T HG2   LYS+ 102 - HB    VAL   41  11.03 +/- 2.03   1.573% *  0.4022% (0.45   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU   67 - HB    VAL   41  12.33 +/- 2.22   0.723% *  0.2763% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   67 - QB    LYS+ 102  17.75 +/- 3.66   0.323% *  0.6148% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   40 - QB    LYS+ 102  11.74 +/- 2.99   2.582% *  0.0717% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - QB    LYS+ 102  19.47 +/- 3.11   0.188% *  0.7764% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HB    VAL   41  15.40 +/- 1.75   0.341% *  0.3489% (0.39   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QB    LYS+ 102  16.54 +/- 2.39   0.297% *  0.0877% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  13.54 +/- 4.72   2.292% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.03 +/- 2.28   0.800% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  17.68 +/- 3.75   0.357% *  0.0615% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.49 +/- 1.39   0.210% *  0.0717% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  15.34 +/- 3.67   0.512% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  15.43 +/- 1.62   0.315% *  0.0322% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.42 +/- 1.72   0.188% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.70 +/- 0.98   0.348% *  0.0212% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  21.25 +/- 6.22   0.230% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  17.56 +/- 6.29   0.482% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.09 +/- 1.67   0.239% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.11 +/- 3.28   0.273% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  15.13 +/- 3.57   0.488% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.32 +/- 1.89   0.193% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  16.17 +/- 2.26   0.314% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  16.60 +/- 1.27   0.240% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.893, support = 4.59, residual support = 140.7:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.17  36.536% * 58.8514% (1.00  10.0 10.00   4.75 158.66) =  86.441%  kept
        T QB    LEU   98 - HB    VAL   41   3.63 +/- 1.86  28.602% *  9.0201% (0.15   1.0 10.00   3.61  27.01) =  10.372%  kept
        T HB    VAL   42 - HB    VAL   41   5.83 +/- 0.46   2.456% * 25.9200% (0.44   1.0 10.00   4.15  27.48) =   2.559%  kept
          QB    LEU   98 - QB    LYS+ 102   5.23 +/- 0.84   6.560% *  1.3106% (0.34   1.0  1.00   1.31   2.15) =   0.346%  kept
          HG    LEU   98 - HB    VAL   41   5.15 +/- 1.98  10.557% *  0.5110% (0.12   1.0  1.00   1.39  27.01) =   0.217%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   8.83 +/- 1.16   0.795% *  0.5567% (0.95   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+  33 - HB    VAL   41  10.96 +/- 3.09   0.911% *  0.2501% (0.43   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 102 - HB    VAL   41  10.78 +/- 2.75   0.842% *  0.2644% (0.45   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   42 - QB    LYS+ 102  12.23 +/- 1.71   0.309% *  0.5769% (0.98   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 106 - HB    VAL   41  10.14 +/- 2.11   0.585% *  0.2501% (0.43   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   98 - QB    LYS+ 102   5.89 +/- 1.64   7.279% *  0.0164% (0.28   1.0  1.00   0.02   2.15) =   0.005%
        T HG3   LYS+  33 - QB    LYS+ 102  14.44 +/- 2.30   0.190% *  0.5567% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QB    LYS+ 102  21.06 +/- 6.00   1.374% *  0.0357% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HB    VAL   41  17.45 +/- 1.42   0.105% *  0.2592% (0.44   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.09 +/- 1.03   0.044% *  0.5833% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HB    VAL   41  10.69 +/- 2.76   0.961% *  0.0264% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QB    LYS+ 102  22.51 +/- 2.15   0.043% *  0.5769% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  20.58 +/- 1.67   0.060% *  0.2621% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  16.88 +/- 2.17   0.109% *  0.0587% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  15.77 +/- 2.17   0.336% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  19.06 +/- 5.12   0.187% *  0.0160% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  18.72 +/- 2.48   0.099% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  17.38 +/- 5.67   0.185% *  0.0116% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.00 +/- 1.31   0.076% *  0.0242% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.14 +/- 2.61   0.430% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  16.87 +/- 2.20   0.135% *  0.0099% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.48 +/- 5.47   0.166% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.48 +/- 2.01   0.072% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 158.6:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.30 +/- 0.28  73.964% * 94.6216% (1.00  10.0 10.00   4.75 158.66) =  99.936%  kept
        T QD    LYS+  38 - QB    LYS+ 102  12.59 +/- 3.57   3.398% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.037%
        T QD    LYS+ 102 - HB    VAL   41  10.30 +/- 2.18   1.598% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HB    VAL   41  11.07 +/- 1.32   0.822% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  99 - QB    LYS+ 102   7.24 +/- 1.73   7.181% *  0.0211% (0.22   1.0  1.00   0.02   1.54) =   0.002%
        T HG3   PRO   93 - QB    LYS+ 102  20.93 +/- 1.13   0.110% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  18.48 +/- 5.19   0.228% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HB    VAL   41  18.12 +/- 2.26   0.212% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.16 +/- 1.35   0.113% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QB    LYS+ 102  21.09 +/- 2.15   0.120% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB    VAL   41  16.62 +/- 1.63   0.241% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.45 +/- 1.44   2.110% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+ 102  14.51 +/- 5.15   0.805% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB    VAL   41  13.63 +/- 5.45   1.610% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB    VAL   41  21.70 +/- 1.69   0.113% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41  11.18 +/- 2.93   1.716% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.25 +/- 1.97   2.967% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  19.52 +/- 5.13   0.225% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  10.24 +/- 2.15   1.381% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  20.33 +/- 4.64   0.179% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  17.36 +/- 4.21   0.381% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.31 +/- 2.26   0.214% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.11 +/- 1.30   0.129% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.43 +/- 1.74   0.181% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.69, residual support = 156.5:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.53 +/- 0.48  70.662% * 81.8039% (1.00 10.00   4.75 158.66) =  98.632%  kept
        T QE    LYS+  99 - HB    VAL   41   7.84 +/- 1.44   4.569% * 13.0716% (0.31 10.00   1.04   0.02) =   1.019%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.45 +/- 2.17  15.433% *  0.5619% (0.69 10.00   0.02   1.54) =   0.148%  kept
        T QE    LYS+  38 - HB    VAL   41  10.59 +/- 1.92   2.207% *  3.4398% (0.41 10.00   0.20   0.02) =   0.130%  kept
        T QE    LYS+  38 - QB    LYS+ 102  12.45 +/- 3.67   3.975% *  0.7551% (0.92 10.00   0.02   0.02) =   0.051%
        T QE    LYS+ 102 - HB    VAL   41   9.82 +/- 2.57   3.153% *  0.3676% (0.45 10.00   0.02   0.02) =   0.020%
    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 = 158.7:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.11 +/- 0.59  96.291% * 99.7392% (1.00  10.0 10.00   5.75 158.66) =  99.998%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.23 +/- 4.64   1.260% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG2   LYS+ 102  30.55 +/- 4.84   0.611% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  29.35 +/- 4.97   0.844% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.55 +/- 1.18   0.337% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.44 +/- 3.94   0.657% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 158.2:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.35 +/- 0.13  92.944% * 91.7065% (1.00  10.0 10.00   5.31 158.66) =  99.666%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.31 +/- 0.90   4.002% *  6.8811% (0.34   1.0  1.00   4.40  23.51) =   0.322%  kept
        T HB    VAL   41 - HG2   LYS+ 102  11.03 +/- 2.03   1.859% *  0.4464% (0.49   1.0 10.00   0.02   0.02) =   0.010%
        T QB    LYS+  66 - HG2   LYS+ 102  21.83 +/- 2.99   0.149% *  0.6299% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  16.39 +/- 3.15   0.394% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  23.81 +/- 4.91   0.226% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  23.28 +/- 2.20   0.112% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.15 +/- 1.27   0.090% *  0.0847% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  24.01 +/- 5.19   0.129% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.43 +/- 4.03   0.095% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 158.6:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  91.067% * 96.7067% (1.00  10.0 10.00   4.42 158.66) =  99.990%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.28 +/- 1.33   0.398% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - HG2   LYS+ 102  23.90 +/- 7.06   2.858% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.54 +/- 2.55   0.145% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HG2   LYS+ 102   7.55 +/- 1.86   3.098% *  0.0269% (0.28   1.0  1.00   0.02   2.15) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.80 +/- 0.76   1.854% *  0.0330% (0.34   1.0  1.00   0.02   2.15) =   0.001%
        T HG3   LYS+  65 - HG2   LYS+ 102  26.36 +/- 2.09   0.029% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  15.01 +/- 1.70   0.174% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.88 +/- 2.52   0.076% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.29 +/- 1.51   0.028% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  20.46 +/- 6.27   0.124% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  21.79 +/- 3.24   0.061% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.68 +/- 1.42   0.044% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.84 +/- 2.23   0.045% *  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 = 158.6:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.21 +/- 0.08  89.892% * 98.2489% (1.00  10.0 10.00   4.42 158.66) =  99.993%  kept
          QD    LYS+  38 - HG2   LYS+ 102  14.36 +/- 4.22   5.089% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  99 - HG2   LYS+ 102   8.85 +/- 1.62   2.997% *  0.0219% (0.22   1.0  1.00   0.02   1.54) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.22 +/- 1.87   0.066% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  24.67 +/- 2.24   0.071% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.69 +/- 1.67   1.018% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  17.73 +/- 5.56   0.326% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  23.22 +/- 5.64   0.117% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  23.70 +/- 5.50   0.140% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.79 +/- 1.50   0.067% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  20.35 +/- 2.61   0.140% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.76 +/- 1.59   0.077% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.41, residual support = 158.3:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.23 +/- 0.29  74.561% * 98.4155% (1.00  10.0 10.00   4.42 158.66) =  99.742%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.12 +/- 2.29  17.787% *  0.6760% (0.69   1.0 10.00   0.02   1.54) =   0.163%  kept
        T QE    LYS+  38 - HG2   LYS+ 102  14.18 +/- 4.29   7.651% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.094%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.6:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.08 +/- 0.72  73.824% * 97.9004% (1.00  10.0 10.00   5.05 158.66) =  99.975%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.69 +/- 1.25   3.157% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+ 102 - HG3   LYS+  33  15.50 +/- 2.05   0.949% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+ 102 - HG3   LYS+  65  24.41 +/- 1.94   0.216% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HA    TRP   49 - HG3   LYS+  65  17.05 +/- 6.04   2.172% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  12.21 +/- 2.61   2.315% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+  65  17.02 +/- 4.31   1.097% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HG3   LYS+  65  15.84 +/- 3.73   1.567% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG3   LYS+ 102  30.03 +/- 4.81   0.716% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HG3   LYS+ 102  28.84 +/- 4.73   0.857% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+ 102  22.02 +/- 4.62   0.440% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.42 +/- 4.47   3.759% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  15.36 +/- 5.76   1.613% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  22.17 +/- 3.69   1.634% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.82 +/- 0.47   1.802% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.45 +/- 1.39   1.605% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.94 +/- 3.07   0.385% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.07 +/- 1.21   0.282% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  19.92 +/- 3.07   0.436% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.29 +/- 3.87   0.333% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.36 +/- 4.33   0.127% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  27.64 +/- 1.86   0.146% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  28.43 +/- 2.92   0.143% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.73 +/- 2.55   0.426% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.902, support = 5.21, residual support = 156.4:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.37 +/- 0.17  36.391% * 49.7554% (1.00  10.0 10.00   4.75 158.66) =  53.923%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.35 +/- 0.15  37.334% * 39.6888% (0.80  10.0  1.00   5.82 159.15) =  44.127%  kept
          QB    LYS+  66 - HG3   LYS+  65   4.84 +/- 1.40  10.962% *  5.4448% (0.56   1.0  1.00   3.92  30.19) =   1.777%  kept
          HG12  ILE  103 - HG3   LYS+ 102   7.13 +/- 0.75   1.544% *  3.2672% (0.34   1.0  1.00   3.85  23.51) =   0.150%  kept
        T HB    VAL   41 - HG3   LYS+ 102  10.78 +/- 2.75   1.345% *  0.2422% (0.49   1.0 10.00   0.02   0.02) =   0.010%
        T HB    VAL   41 - HG3   LYS+  33  10.96 +/- 3.09   0.796% *  0.1203% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.83 +/- 1.16   0.852% *  0.0907% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+  33  14.44 +/- 2.30   0.202% *  0.2472% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  33   9.84 +/- 3.50   1.565% *  0.0239% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  10.14 +/- 2.11   0.772% *  0.0441% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  17.45 +/- 1.42   0.098% *  0.1971% (0.40   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  22.51 +/- 2.15   0.047% *  0.4049% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  65  15.02 +/- 7.52   0.937% *  0.0197% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG3   LYS+ 106   6.33 +/- 1.98   3.560% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  16.26 +/- 3.70   0.181% *  0.0480% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.12 +/- 1.44   0.191% *  0.0391% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  16.35 +/- 3.23   0.193% *  0.0374% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  13.34 +/- 2.64   0.425% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.35 +/- 3.27   0.164% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  23.76 +/- 5.06   0.131% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.89 +/- 3.68   0.351% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.88 +/- 2.85   0.153% *  0.0170% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  23.05 +/- 2.50   0.044% *  0.0488% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  21.71 +/- 3.19   0.060% *  0.0342% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.68 +/- 1.55   0.039% *  0.0459% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.17 +/- 1.08   0.180% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.19 +/- 3.15   0.232% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.64 +/- 2.06   0.158% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  24.74 +/- 3.27   0.053% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  20.92 +/- 6.00   0.240% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  18.09 +/- 2.43   0.099% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.14 +/- 2.81   0.131% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  17.70 +/- 3.11   0.129% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.22 +/- 2.08   0.056% *  0.0138% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.90 +/- 5.37   0.052% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.43 +/- 3.68   0.074% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.87 +/- 3.74   0.029% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.76 +/- 3.93   0.122% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.60 +/- 3.25   0.089% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.01 +/- 2.55   0.019% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.987, support = 4.41, residual support = 153.3:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  59.131% * 84.8650% (1.00  10.0 10.00   4.42 158.66) =  95.832%  kept
          QG    LYS+  66 - HG3   LYS+  65   4.90 +/- 2.11  17.431% * 12.2766% (0.71   1.0  1.00   4.10  30.19) =   4.087%  kept
          QB    ALA   61 - HG3   LYS+  65   4.97 +/- 1.78  15.162% *  0.2605% (0.43   1.0  1.00   0.14   0.02) =   0.075%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.28 +/- 1.33   0.263% *  0.1546% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.54 +/- 2.55   0.094% *  0.4216% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   7.81 +/- 1.06   0.788% *  0.0474% (0.56   1.0  1.00   0.02   0.14) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.85 +/- 0.91   0.509% *  0.0474% (0.56   1.0  1.00   0.02   0.14) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  10.17 +/- 2.61   0.688% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  14.16 +/- 3.27   0.259% *  0.0680% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33  12.29 +/- 4.75   0.370% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  26.36 +/- 2.09   0.019% *  0.6906% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  13.67 +/- 1.52   0.157% *  0.0677% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   9.63 +/- 3.89   0.818% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.50 +/- 1.96   0.139% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.51 +/- 1.53   0.114% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  19.84 +/- 5.36   0.231% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.40 +/- 4.29   0.187% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.52 +/- 4.11   0.176% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  19.16 +/- 2.93   0.058% *  0.0832% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  20.79 +/- 4.36   0.064% *  0.0583% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  20.72 +/- 4.21   0.062% *  0.0583% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.58 +/- 1.70   0.263% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.67 +/- 3.13   0.089% *  0.0366% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  13.95 +/- 2.31   0.183% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  22.74 +/- 3.41   0.036% *  0.0736% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.50 +/- 2.40   0.154% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  20.73 +/- 1.79   0.038% *  0.0680% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  16.22 +/- 5.08   0.151% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  13.20 +/- 2.36   0.203% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  15.07 +/- 3.07   0.148% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.11 +/- 2.64   0.100% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  18.30 +/- 4.14   0.078% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.41 +/- 2.13   0.037% *  0.0446% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  24.27 +/- 7.41   0.051% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.95 +/- 2.34   0.066% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.98 +/- 3.86   0.120% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.60 +/- 3.71   0.120% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  18.17 +/- 4.05   0.116% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  19.95 +/- 2.02   0.045% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.37 +/- 2.47   0.145% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  18.67 +/- 3.56   0.083% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  20.78 +/- 3.73   0.052% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  22.12 +/- 1.71   0.032% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.59 +/- 1.09   0.221% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  23.02 +/- 7.96   0.070% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.81 +/- 2.13   0.219% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  21.68 +/- 2.15   0.035% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  19.21 +/- 6.50   0.137% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  13.57 +/- 2.95   0.173% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  22.53 +/- 1.56   0.029% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  22.43 +/- 2.59   0.032% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.70 +/- 2.62   0.050% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.779, support = 4.15, residual support = 158.0:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.47 +/- 0.09  26.004% * 63.6907% (1.00  10.0 10.00   4.00 158.66) =  61.554%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.30 +/- 0.12  32.211% * 29.3443% (0.46  10.0 10.00   4.36 159.15) =  35.130%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.35 +/- 0.16  30.636% *  2.8935% (0.05  10.0  1.00   4.62 135.64) =   3.295%  kept
          QD    LYS+  38 - HG3   LYS+ 102  14.55 +/- 4.03   2.396% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.71 +/- 1.72   0.578% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  15.76 +/- 2.67   0.161% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  33  13.25 +/- 4.66   0.345% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  65  13.36 +/- 1.57   0.184% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  65  20.31 +/- 5.22   0.537% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  18.21 +/- 3.03   0.096% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  20.07 +/- 2.93   0.063% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  23.92 +/- 2.21   0.032% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.88 +/- 1.97   0.041% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 102   8.97 +/- 1.56   1.011% *  0.0142% (0.22   1.0  1.00   0.02   1.54) =   0.001%
          QD    LYS+  38 - HG3   LYS+  33  10.14 +/- 1.53   0.505% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.75 +/- 1.72   0.027% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.46 +/- 2.59   0.031% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.90 +/- 1.56   0.136% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  10.78 +/- 3.57   1.347% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.66 +/- 3.20   0.171% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  16.01 +/- 3.20   0.148% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.26 +/- 1.51   0.425% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  16.46 +/- 2.83   0.119% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  17.53 +/- 5.79   0.153% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  20.58 +/- 6.23   0.161% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.63 +/- 2.56   0.064% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  19.36 +/- 3.70   0.096% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  29.12 +/- 2.65   0.018% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  23.15 +/- 5.81   0.051% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.45 +/- 2.26   0.109% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  19.34 +/- 3.62   0.087% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  18.07 +/- 5.20   0.143% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  12.61 +/- 4.66   0.362% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  23.23 +/- 5.57   0.051% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.32 +/- 1.74   0.029% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.64 +/- 3.04   0.106% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.03 +/- 1.34   0.124% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  24.94 +/- 3.56   0.044% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  17.55 +/- 4.98   0.161% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.25 +/- 1.58   0.033% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  23.77 +/- 6.31   0.058% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  18.59 +/- 4.14   0.104% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.55 +/- 3.64   0.097% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.81 +/- 1.37   0.408% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.86 +/- 1.23   0.156% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  18.07 +/- 2.02   0.078% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  18.09 +/- 2.16   0.077% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.07 +/- 2.88   0.026% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 158.4:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.29 +/- 0.25  75.136% * 94.7812% (1.00  10.0 10.00   4.00 158.66) =  99.826%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.22 +/- 2.20   9.734% *  0.6511% (0.69   1.0 10.00   0.02   1.54) =   0.089%
        T QE    LYS+  99 - HG3   LYS+  33  10.24 +/- 3.46   6.824% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.031%
        T QE    LYS+  38 - HG3   LYS+ 102  14.37 +/- 4.10   2.462% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.030%
        T QE    LYS+  38 - HG3   LYS+  33   9.89 +/- 1.98   1.501% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.23 +/- 1.94   2.135% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+ 102 - HG3   LYS+  33  15.65 +/- 2.64   0.435% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  38 - HG3   LYS+  65  18.85 +/- 3.93   0.257% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+ 106  11.06 +/- 1.68   0.992% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+  65  18.06 +/- 3.76   0.222% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  23.39 +/- 2.67   0.094% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  17.74 +/- 2.14   0.209% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.6:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.29 +/- 0.81  66.202% * 98.9625% (1.00 10.00   5.05 158.66) =  99.957%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.60 +/- 1.61  15.205% *  0.1493% (0.13  1.00   0.24   0.02) =   0.035%
          HA    CYS   21 - QD    LYS+ 102  20.40 +/- 4.25   1.315% *  0.0827% (0.84  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - QD    LYS+  65  15.44 +/- 5.78   4.946% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - QD    LYS+  65  22.91 +/- 2.23   0.310% *  0.2501% (0.25 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.64 +/- 1.47   0.234% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+ 102  27.18 +/- 4.10   0.500% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.08 +/- 4.45   0.700% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  15.77 +/- 4.21   1.433% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  14.43 +/- 3.57   1.879% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.58 +/- 1.51   0.429% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  17.06 +/- 4.05   1.553% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  20.57 +/- 3.66   0.837% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  14.18 +/- 5.57   2.358% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.25 +/- 5.06   0.493% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  19.75 +/- 3.51   0.615% *  0.0167% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.43 +/- 2.71   0.487% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.53 +/- 4.65   0.504% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.831, support = 4.83, residual support = 156.4:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.30 +/- 0.28  34.369% * 70.3031% (1.00  10.0 10.00   4.75 158.66) =  77.511%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.21 +/- 0.17  37.293% * 17.4175% (0.25  10.0 10.00   5.34 159.15) =  20.837%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.83 +/- 3.65  10.791% *  1.9427% (0.24   1.0 10.00   0.23   0.02) =   0.673%  kept
          QB    LYS+  66 - QD    LYS+  65   4.96 +/- 1.12   6.331% *  2.6992% (0.17   1.0  1.00   4.42  30.19) =   0.548%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.43 +/- 1.18   2.786% *  4.6671% (0.34   1.0  1.00   3.89  23.51) =   0.417%  kept
        T HB    VAL   41 - QD    LYS+ 102  10.30 +/- 2.18   0.668% *  0.3422% (0.49   1.0 10.00   0.02   0.02) =   0.007%
        T QB    LYS+  65 - QD    LYS+ 102  21.08 +/- 2.19   0.047% *  0.6891% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.29 +/- 1.40   0.045% *  0.6490% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+  65  15.38 +/- 2.48   0.158% *  0.1640% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HD2   LYS+ 111  12.83 +/- 4.30   4.978% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.13 +/- 3.37   0.176% *  0.0678% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.81 +/- 1.58   0.066% *  0.1802% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65  13.92 +/- 6.93   1.002% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.62 +/- 1.63   0.098% *  0.0865% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.16 +/- 1.35   0.045% *  0.1838% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  21.09 +/- 2.15   0.046% *  0.1777% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  21.65 +/- 4.77   0.058% *  0.1085% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  14.11 +/- 2.77   0.203% *  0.0274% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  21.70 +/- 1.69   0.043% *  0.0895% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.47 +/- 1.64   0.204% *  0.0171% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.84 +/- 2.98   0.064% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.79 +/- 4.56   0.075% *  0.0342% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  18.41 +/- 1.66   0.071% *  0.0284% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  23.67 +/- 4.04   0.045% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  19.70 +/- 2.28   0.059% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  26.01 +/- 3.59   0.034% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.85 +/- 1.85   0.054% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.05 +/- 2.33   0.055% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.69 +/- 2.40   0.115% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.34 +/- 3.72   0.023% *  0.0089% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.978, support = 4.42, residual support = 155.0:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.08  42.597% * 92.7963% (1.00  10.0 10.00   4.42 158.66) =  97.168%  kept
          QG    LYS+  66 - QD    LYS+  65   4.57 +/- 1.93  22.329% *  4.6653% (0.22   1.0  1.00   4.59  30.19) =   2.561%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.60 +/- 1.34   9.334% *  1.1411% (0.08   1.0  1.00   3.05   9.08) =   0.262%  kept
          QB    ALA   61 - QD    LYS+  65   4.80 +/- 1.66  17.185% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   40 - QD    LYS+ 102  13.30 +/- 3.06   0.457% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    LYS+  65   7.89 +/- 0.85   1.078% *  0.0161% (0.17   1.0  1.00   0.02   0.14) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   9.06 +/- 1.19   0.810% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.73 +/- 0.78   0.763% *  0.0161% (0.17   1.0  1.00   0.02   0.14) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  17.74 +/- 2.91   0.113% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.67 +/- 2.24   0.037% *  0.2345% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  19.10 +/- 3.92   0.124% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.22 +/- 1.87   0.032% *  0.2426% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  19.07 +/- 3.84   0.122% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.84 +/- 1.48   0.274% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.83 +/- 2.05   0.328% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  20.76 +/- 3.25   0.076% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.60 +/- 1.89   0.922% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.75 +/- 1.62   0.073% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  16.53 +/- 3.75   0.172% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.00 +/- 1.36   0.206% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  14.26 +/- 2.01   0.285% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.51 +/- 1.92   0.074% *  0.0488% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  18.33 +/- 4.95   0.416% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  21.97 +/- 6.05   0.101% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  21.12 +/- 5.89   0.112% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.31 +/- 2.19   0.413% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.91 +/- 1.95   0.083% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.29 +/- 3.52   0.099% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  15.21 +/- 4.81   0.273% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.93 +/- 1.29   0.260% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  19.58 +/- 1.98   0.067% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.51 +/- 2.12   0.246% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.00 +/- 2.32   0.189% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  20.25 +/- 2.25   0.063% *  0.0210% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  23.85 +/- 5.09   0.106% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.35 +/- 2.23   0.045% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.08 +/- 2.42   0.052% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  23.09 +/- 2.51   0.044% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.72 +/- 4.08   0.037% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.822, support = 4.08, residual support = 158.3:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.47 +/- 0.09  34.850% * 72.7026% (1.00  10.0 10.00   4.00 158.66) =  76.401%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.30 +/- 0.12  42.746% * 18.0120% (0.25  10.0 10.00   4.36 159.15) =  23.217%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   6.99 +/- 1.08   2.500% *  4.4677% (0.26   1.0  1.00   4.74  28.51) =   0.337%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.71 +/- 1.72   0.747% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          QB    ALA   12 - QD    LYS+ 102  21.70 +/- 6.87   4.766% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   PRO   93 - HD2   LYS+ 111  10.97 +/- 3.07   2.670% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - QD    LYS+ 102  15.76 +/- 2.67   0.217% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU   73 - QD    LYS+ 102  18.03 +/- 2.55   0.120% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD    LYS+ 102   6.46 +/- 0.95   2.822% *  0.0248% (0.34   1.0  1.00   0.02   2.15) =   0.002%
          HG    LEU   98 - QD    LYS+ 102   7.36 +/- 1.52   2.707% *  0.0202% (0.28   1.0  1.00   0.02   2.15) =   0.002%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.90 +/- 1.56   0.180% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QD    LYS+ 102  23.92 +/- 2.21   0.044% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  18.21 +/- 3.03   0.131% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HD2   LYS+ 111  21.20 +/- 5.24   0.113% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  13.67 +/- 1.67   0.265% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  19.63 +/- 2.56   0.086% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.88 +/- 1.97   0.055% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.46 +/- 2.59   0.043% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  15.27 +/- 2.48   0.399% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.75 +/- 1.72   0.036% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  12.52 +/- 1.61   0.330% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.58 +/- 1.46   0.319% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.73 +/- 4.35   0.817% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.60 +/- 5.79   0.320% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  29.12 +/- 2.65   0.023% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.25 +/- 1.42   0.044% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  19.21 +/- 2.56   0.087% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  17.02 +/- 4.37   0.206% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  10.09 +/- 2.25   0.790% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.06 +/- 1.54   0.069% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.07 +/- 2.41   0.263% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  18.89 +/- 2.13   0.086% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.14 +/- 3.07   0.174% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.56 +/- 1.69   0.138% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.08 +/- 2.64   0.228% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.72 +/- 2.21   0.066% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.85 +/- 2.43   0.120% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.62 +/- 1.04   0.083% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  21.97 +/- 4.42   0.180% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  29.40 +/- 4.81   0.030% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.54 +/- 2.08   0.060% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.01 +/- 1.56   0.070% *  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 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 158.5:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.09 +/- 0.03  88.580% * 97.1326% (1.00  10.0 10.00   4.00 158.66) =  99.898%  kept
        T QE    LYS+  38 - QD    LYS+ 102  13.42 +/- 4.00   6.827% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.071%
        T QE    LYS+  99 - QD    LYS+ 102   9.04 +/- 2.14   3.751% *  0.6672% (0.69   1.0 10.00   0.02   1.54) =   0.029%
        T QE    LYS+  38 - QD    LYS+  65  17.56 +/- 3.53   0.281% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - QD    LYS+  65  17.10 +/- 3.58   0.242% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.44 +/- 1.94   0.091% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  21.89 +/- 2.58   0.092% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.44 +/- 1.97   0.090% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  26.95 +/- 2.93   0.047% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 158.4:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.47 +/- 0.47  69.937% * 98.6090% (1.00 10.00   5.05 158.66) =  99.858%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.19 +/- 1.58  10.650% *  0.6725% (0.68 10.00   0.02   1.54) =   0.104%  kept
        T HA    LYS+ 102 - QE    LYS+  38  13.33 +/- 3.27  10.288% *  0.2257% (0.23 10.00   0.02   0.02) =   0.034%
          HA    CYS   21 - QE    LYS+  99  16.65 +/- 3.83   1.725% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+ 102  19.86 +/- 4.19   0.943% *  0.0824% (0.84  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QE    LYS+ 102  18.96 +/- 1.78   0.529% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  26.43 +/- 3.90   0.398% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.36 +/- 4.04   0.479% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.47 +/- 3.30   1.282% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  17.51 +/- 2.84   0.816% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.18 +/- 1.47   0.433% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.10 +/- 3.53   0.643% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  25.47 +/- 3.66   0.239% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.18 +/- 2.89   0.309% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  17.67 +/- 2.99   0.768% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  27.89 +/- 4.45   0.194% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.07 +/- 2.35   0.190% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  27.10 +/- 2.87   0.178% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.987, support = 4.69, residual support = 155.6:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.53 +/- 0.48  53.780% * 78.6690% (1.00 10.00   4.75 158.66) =  97.972%  kept
        T HB    VAL   41 - QE    LYS+  99   7.84 +/- 1.44   3.395% * 13.5199% (0.33 10.00   1.04   0.02) =   1.063%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.20 +/- 1.06   5.885% *  5.2848% (0.34  1.00   3.94  23.51) =   0.720%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.45 +/- 2.17  11.805% *  0.5365% (0.68 10.00   0.02   1.54) =   0.147%  kept
          HG12  ILE  103 - QE    LYS+  99   8.77 +/- 1.76   3.167% *  0.6790% (0.23  1.00   0.74   0.71) =   0.050%
        T HB    VAL   41 - QE    LYS+ 102   9.82 +/- 2.57   2.398% *  0.3829% (0.49 10.00   0.02   0.02) =   0.021%
        T QB    LYS+ 102 - QE    LYS+  38  12.45 +/- 3.67   3.056% *  0.1801% (0.23 10.00   0.02   0.02) =   0.013%
          HB2   LEU   71 - QE    LYS+  99   9.46 +/- 4.02   4.887% *  0.0518% (0.66  1.00   0.02   0.02) =   0.006%
        T HB    VAL   41 - QE    LYS+  38  10.59 +/- 1.92   1.682% *  0.0877% (0.11 10.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QE    LYS+  38   9.97 +/- 2.45   2.397% *  0.0174% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+ 102  14.74 +/- 3.76   0.508% *  0.0759% (0.97  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  99  14.41 +/- 3.90   0.750% *  0.0369% (0.47  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  16.05 +/- 3.25   0.389% *  0.0526% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  21.42 +/- 4.71   0.326% *  0.0383% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  15.02 +/- 3.56   0.807% *  0.0124% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.59 +/- 2.57   0.129% *  0.0771% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.62 +/- 3.65   0.367% *  0.0261% (0.33  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.59 +/- 1.73   0.131% *  0.0726% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  19.49 +/- 3.25   0.161% *  0.0540% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  16.86 +/- 3.05   0.425% *  0.0177% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  16.08 +/- 4.35   0.767% *  0.0088% (0.11  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.14 +/- 1.30   0.134% *  0.0495% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  16.11 +/- 5.12   0.601% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.06 +/- 2.95   0.589% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  19.34 +/- 7.36   1.021% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  24.15 +/- 3.16   0.105% *  0.0166% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  21.37 +/- 5.09   0.143% *  0.0121% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.25 +/- 3.22   0.067% *  0.0121% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.44 +/- 2.07   0.071% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  28.20 +/- 3.17   0.059% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.994, support = 4.37, residual support = 156.5:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.23 +/- 0.29  38.260% * 95.6176% (1.00  10.0 10.00   4.42 158.66) =  98.611%  kept
          HG    LEU   40 - QE    LYS+  99   6.90 +/- 3.89  18.368% *  2.3309% (0.55   1.0  1.00   0.89   7.33) =   1.154%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.12 +/- 2.29  10.246% *  0.6521% (0.68   1.0 10.00   0.02   1.54) =   0.180%  kept
        T HG2   LYS+ 102 - QE    LYS+  38  14.18 +/- 4.29   4.278% *  0.2189% (0.23   1.0 10.00   0.02   0.02) =   0.025%
          HG    LEU   40 - QE    LYS+ 102  12.95 +/- 3.53   3.138% *  0.0766% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   67 - QE    LYS+  99  13.50 +/- 4.72   4.835% *  0.0448% (0.47   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   67 - QE    LYS+  99  13.38 +/- 4.54   1.721% *  0.0448% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QE    LYS+  38   8.66 +/- 2.23   4.294% *  0.0175% (0.18   1.0  1.00   0.02   0.99) =   0.002%
          HG    LEU   73 - QE    LYS+  99  13.64 +/- 2.71   0.993% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QE    LYS+  99  15.23 +/- 4.21   0.936% *  0.0566% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  17.19 +/- 2.88   0.399% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+ 102  18.64 +/- 4.20   0.550% *  0.0657% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+ 102  18.73 +/- 4.28   0.500% *  0.0657% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  38  14.80 +/- 3.55   1.017% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+ 102  18.14 +/- 2.14   0.269% *  0.0766% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+ 102  20.38 +/- 3.36   0.243% *  0.0829% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  99  15.96 +/- 1.62   0.365% *  0.0522% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  38  15.73 +/- 3.44   0.819% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.30 +/- 4.01   0.647% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.84 +/- 3.41   0.910% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  14.24 +/- 2.97   0.955% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  21.23 +/- 6.20   0.430% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  15.77 +/- 2.21   0.404% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.03 +/- 2.03   0.235% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.34 +/- 2.26   0.350% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  14.24 +/- 2.17   0.644% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.52 +/- 2.48   0.571% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  18.86 +/- 3.59   0.364% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.40 +/- 2.25   0.390% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.29 +/- 1.78   0.312% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  18.97 +/- 2.36   0.240% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.28 +/- 5.30   0.217% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  17.54 +/- 2.88   0.368% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  20.95 +/- 3.28   0.189% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  14.55 +/- 3.37   0.584% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  16.78 +/- 5.29   0.474% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.67 +/- 4.79   0.153% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  21.60 +/- 2.42   0.150% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  21.29 +/- 3.73   0.184% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.995, support = 3.99, residual support = 157.8:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.29 +/- 0.25  54.780% * 87.1793% (1.00  10.0 10.00   4.00 158.66) =  99.384%  kept
          QB    LEU   98 - QE    LYS+  99   6.40 +/- 0.77   3.013% *  4.2609% (0.23   1.0  1.00   4.20  18.60) =   0.267%  kept
          HG    LEU   98 - QE    LYS+  99   6.93 +/- 1.21   2.972% *  2.1293% (0.19   1.0  1.00   2.58  18.60) =   0.132%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   9.22 +/- 2.20   7.141% *  0.5945% (0.68   1.0 10.00   0.02   1.54) =   0.088%
        T HG3   LYS+  33 - QE    LYS+  99  10.24 +/- 3.46   5.016% *  0.5624% (0.65   1.0 10.00   0.02   0.02) =   0.059%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.23 +/- 1.94   1.563% *  0.8247% (0.95   1.0 10.00   0.02   0.02) =   0.027%
        T HG3   LYS+ 106 - QE    LYS+  99  11.06 +/- 1.68   0.717% *  0.5624% (0.65   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 102 - QE    LYS+  38  14.37 +/- 4.10   1.759% *  0.1996% (0.23   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QE    LYS+ 102  15.65 +/- 2.64   0.309% *  0.8247% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QE    LYS+  38   9.89 +/- 1.98   1.095% *  0.1888% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QE    LYS+ 102  21.59 +/- 6.87   3.190% *  0.0529% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QE    LYS+ 102   7.14 +/- 1.54   4.661% *  0.0242% (0.28   1.0  1.00   0.02   2.15) =   0.002%
          QB    LEU   98 - QE    LYS+ 102   6.13 +/- 0.90   3.609% *  0.0297% (0.34   1.0  1.00   0.02   2.15) =   0.002%
        T HG3   LYS+  65 - QE    LYS+  99  18.06 +/- 3.76   0.162% *  0.5828% (0.67   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+  99   9.33 +/- 1.96   1.053% *  0.0583% (0.67   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QE    LYS+ 102  23.39 +/- 2.67   0.068% *  0.8545% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  13.12 +/- 2.20   0.557% *  0.0855% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QE    LYS+  38  18.85 +/- 3.93   0.188% *  0.1956% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  17.74 +/- 2.14   0.152% *  0.1888% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  14.31 +/- 2.50   0.338% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  17.43 +/- 2.72   0.173% *  0.0870% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  11.98 +/- 2.12   0.707% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  18.53 +/- 5.96   0.733% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  13.70 +/- 5.68   0.817% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  15.20 +/- 3.11   0.396% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  22.59 +/- 1.69   0.064% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.84 +/- 1.99   0.789% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  20.60 +/- 2.04   0.089% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  18.05 +/- 3.19   0.143% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  11.86 +/- 2.55   0.914% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  15.98 +/- 7.62   1.246% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  18.52 +/- 2.45   0.142% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.69 +/- 3.21   0.360% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.36 +/- 1.93   0.100% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.58 +/- 1.36   0.110% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  19.68 +/- 2.03   0.114% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.58 +/- 3.24   0.209% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.11 +/- 2.62   0.100% *  0.0135% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  25.20 +/- 3.69   0.067% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  17.20 +/- 3.63   0.217% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  22.41 +/- 3.10   0.081% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.78 +/- 2.57   0.085% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.79, support = 4.01, residual support = 168.8:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.09 +/- 0.03  29.704% * 72.2175% (1.00  10.0 10.00   4.00 158.66) =  74.693%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  29.717% * 13.2369% (0.18  10.0  1.00   3.74 220.94) =  13.697%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.03  30.267% * 10.9650% (0.15  10.0 10.00   4.42 173.11) =  11.556%  kept
        T QD    LYS+ 102 - QE    LYS+  99   9.04 +/- 2.14   1.318% *  0.4925% (0.68   1.0 10.00   0.02   1.54) =   0.023%
        T QD    LYS+ 102 - QE    LYS+  38  13.42 +/- 4.00   2.421% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.014%
        T QD    LYS+ 106 - QE    LYS+ 102   8.57 +/- 2.07   0.747% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  99 - QE    LYS+ 102   8.97 +/- 1.40   0.609% *  0.1608% (0.22   1.0 10.00   0.02   1.54) =   0.003%
        T QD    LYS+  99 - QE    LYS+  38   9.14 +/- 2.87   1.299% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - QE    LYS+  99   8.44 +/- 2.75   0.976% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  99  11.03 +/- 1.82   0.298% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QE    LYS+ 102  13.76 +/- 3.38   0.504% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  17.10 +/- 3.58   0.080% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.44 +/- 1.94   0.030% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  21.89 +/- 2.58   0.031% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.44 +/- 1.97   0.031% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  17.56 +/- 3.53   0.094% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  15.71 +/- 5.48   0.212% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  12.02 +/- 4.29   0.299% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  15.51 +/- 5.20   0.164% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  20.75 +/- 5.49   0.066% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  18.97 +/- 7.62   0.261% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  20.18 +/- 4.52   0.057% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.67 +/- 2.47   0.129% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.99 +/- 1.86   0.063% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.18 +/- 1.65   0.031% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.88 +/- 2.87   0.067% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  26.95 +/- 2.93   0.016% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  17.03 +/- 6.37   0.177% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.61 +/- 1.36   0.033% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.09 +/- 1.75   0.037% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  21.12 +/- 3.89   0.038% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.71 +/- 3.35   0.126% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.09 +/- 1.02   0.030% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  24.41 +/- 3.26   0.024% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  23.07 +/- 3.97   0.028% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  25.47 +/- 2.42   0.018% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.02, 3.02, 42.50 ppm):
    3 diagonal assignments:
    *     QE    LYS+ 102 - QE    LYS+ 102  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.21)  kept
 
    Peak 1250 (4.28, 4.28, 62.30 ppm):
    2 diagonal assignments:
    *     HA    ILE  103 - HA    ILE  103  (1.00)  kept
          HA    THR   39 - HA    THR   39  (0.24)  kept
 
    Peak 1251 (1.86, 4.28, 62.30 ppm):
    26 chemical-shift based assignments, quality = 0.79, support = 5.72, residual support = 137.7:
    * O T HB    ILE  103 - HA    ILE  103   2.96 +/- 0.05  28.635% * 79.0094% (1.00  10.0 10.00   5.66 138.50) =  73.580%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.42 +/- 0.48  50.668% * 15.6359% (0.20  10.0 10.00   5.98 138.50) =  25.765%  kept
          HB3   ASP- 105 - HA    ILE  103   6.46 +/- 0.81   3.435% *  2.8434% (0.99   1.0  1.00   0.73   3.18) =   0.318%  kept
          HB3   LYS+  38 - HA    THR   39   4.83 +/- 0.24   6.990% *  1.2805% (0.08   1.0  1.00   3.93  29.75) =   0.291%  kept
          QB    LYS+ 106 - HA    ILE  103   7.30 +/- 1.19   2.747% *  0.2810% (0.80   1.0  1.00   0.09   0.02) =   0.025%
        T HB    ILE  103 - HA    THR   39  14.12 +/- 3.43   1.834% *  0.2610% (0.33   1.0 10.00   0.02   0.02) =   0.016%
          QB    LYS+  33 - HA    ILE  103  13.98 +/- 1.55   0.334% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    THR   39   9.37 +/- 1.15   0.978% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    THR   39  12.30 +/- 2.30   0.842% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  17.85 +/- 3.36   0.205% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    THR   39  14.96 +/- 2.06   0.303% *  0.0259% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  14.57 +/- 2.55   0.370% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  12.70 +/- 2.77   1.334% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.47 +/- 3.80   0.081% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  21.55 +/- 3.39   0.092% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  19.16 +/- 4.77   0.162% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  23.44 +/- 2.69   0.066% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.28 +/- 1.30   0.200% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.89 +/- 2.28   0.106% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  19.02 +/- 6.36   0.282% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.86 +/- 2.75   0.065% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  27.21 +/- 3.53   0.064% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  23.65 +/- 2.46   0.061% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  28.58 +/- 2.40   0.034% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.93 +/- 2.27   0.071% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.74 +/- 1.64   0.039% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.856, support = 5.38, residual support = 136.8:
    * O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.19  38.425% * 65.6636% (1.00  10.0 10.00   5.58 138.50) =  74.242%  kept
        T QD1   ILE  103 - HA    ILE  103   3.14 +/- 0.64  28.018% * 29.4391% (0.45   1.0 10.00   4.87 138.50) =  24.270%  kept
          QD2   LEU   40 - HA    THR   39   5.09 +/- 1.03  11.841% *  3.9259% (0.32   1.0  1.00   3.75  24.80) =   1.368%  kept
          QD2   LEU   71 - HA    THR   39   6.57 +/- 2.22  10.182% *  0.3252% (0.19   1.0  1.00   0.53   0.02) =   0.097%
          QD2   LEU   40 - HA    ILE  103   7.45 +/- 2.39   4.483% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.008%
        T QG2   ILE  103 - HA    THR   39  11.82 +/- 2.55   0.922% *  0.2169% (0.33   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   ILE  103 - HA    THR   39  11.39 +/- 2.50   1.324% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HA    ILE  103  13.19 +/- 3.15   1.164% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  11.00 +/- 2.20   0.809% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39   9.81 +/- 1.84   1.218% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HA    ILE  103  14.61 +/- 2.23   0.293% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.34 +/- 2.02   0.105% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.82 +/- 3.13   0.290% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.72 +/- 3.12   0.230% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.49 +/- 4.15   0.451% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  14.82 +/- 1.52   0.245% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.738, support = 5.05, residual support = 137.8:
    *   T QD1   ILE  103 - HA    ILE  103   3.14 +/- 0.64  28.170% * 77.1700% (0.92   1.0 10.00   4.87 138.50) =  72.570%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.19  38.634% * 20.8452% (0.25  10.0 10.00   5.58 138.50) =  26.884%  kept
          QD2   LEU   40 - HA    THR   39   5.09 +/- 1.03  11.905% *  0.7991% (0.05   1.0  1.00   3.75  24.80) =   0.318%  kept
          QD2   LEU   71 - HA    THR   39   6.57 +/- 2.22  10.237% *  0.6107% (0.28   1.0  1.00   0.53   0.02) =   0.209%  kept
        T QD1   ILE  103 - HA    THR   39  11.39 +/- 2.50   1.331% *  0.2550% (0.30   1.0 10.00   0.02   0.02) =   0.011%
        T QG2   ILE  103 - HA    THR   39  11.82 +/- 2.55   0.927% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    ILE  103   7.45 +/- 2.39   4.507% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  11.00 +/- 2.20   0.813% *  0.0698% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HA    ILE  103  14.82 +/- 3.13   0.292% *  0.0834% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  13.19 +/- 3.15   1.171% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    THR   39  15.49 +/- 4.15   0.453% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.81 +/- 1.84   1.225% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.34 +/- 2.02   0.105% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.72 +/- 3.12   0.231% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.4:
    * O T HA    ILE  103 - HB    ILE  103   2.96 +/- 0.05  89.972% * 98.6567% (1.00  10.0 10.00   5.66 138.50) =  99.953%  kept
        T HA    THR   39 - HB    ILE  103  14.12 +/- 3.43   5.391% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.043%
          HA    ASP-  44 - HB    ILE  103  12.98 +/- 1.19   1.172% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  19.15 +/- 2.52   0.383% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  21.78 +/- 3.80   0.338% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  29.19 +/- 7.39   0.291% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  22.38 +/- 2.85   0.245% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  20.12 +/- 5.26   0.676% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.94 +/- 3.67   0.266% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  27.89 +/- 7.02   0.444% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  24.48 +/- 5.58   0.556% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.36 +/- 2.16   0.266% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 5.05, residual support = 138.5:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  51.042% * 68.8462% (1.00  10.0 10.00   5.16 138.50) =  75.626%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.51 +/- 0.47  36.667% * 30.8659% (0.45  10.0 10.00   4.71 138.50) =  24.357%  kept
          QD2   LEU   40 - HB    ILE  103   9.21 +/- 2.99  11.196% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.016%
          QD1   LEU   67 - HB    ILE  103  14.60 +/- 3.35   0.308% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  12.45 +/- 2.55   0.398% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.42 +/- 2.39   0.158% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.36 +/- 1.99   0.065% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.11 +/- 3.23   0.166% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.739, support = 4.84, residual support = 138.5:
    * O T QD1   ILE  103 - HB    ILE  103   2.51 +/- 0.47  36.725% * 78.5650% (0.92  10.0 10.00   4.71 138.50) =  72.670%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  51.123% * 21.2220% (0.25  10.0 10.00   5.16 138.50) =  27.325%  kept
          QD2   LEU   40 - HB    ILE  103   9.21 +/- 2.99  11.214% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   71 - HB    ILE  103  12.45 +/- 2.55   0.399% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB    ILE  103  16.11 +/- 3.23   0.166% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.60 +/- 3.35   0.309% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.36 +/- 1.99   0.065% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 138.5:
    * O T HA    ILE  103 - QG2   ILE  103   2.65 +/- 0.19  90.844% * 98.6567% (1.00  10.0 10.00   5.58 138.50) =  99.971%  kept
        T HA    THR   39 - QG2   ILE  103  11.82 +/- 2.55   3.052% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.024%
          HA    ASP-  44 - QG2   ILE  103   9.57 +/- 0.80   2.160% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QG2   ILE  103  15.10 +/- 1.78   0.581% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG2   ILE  103  17.84 +/- 2.81   0.407% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.10 +/- 3.10   0.486% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  18.16 +/- 1.97   0.321% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  24.11 +/- 5.42   0.237% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  16.72 +/- 3.99   0.725% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.20 +/- 1.70   0.467% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  23.01 +/- 5.08   0.306% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  20.07 +/- 4.06   0.412% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.94, support = 5.15, residual support = 137.3:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  53.353% * 79.0566% (1.00  10.0 10.00   5.16 138.50) =  91.734%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.92 +/- 0.25  21.623% * 15.6452% (0.20  10.0 10.00   5.47 138.50) =   7.357%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.58 +/- 0.61   7.242% *  4.0303% (0.99   1.0  1.00   1.03   3.18) =   0.635%  kept
          QB    LYS+ 106 - QG2   ILE  103   4.08 +/- 1.40  15.920% *  0.7840% (0.80   1.0  1.00   0.25   0.02) =   0.271%  kept
          QB    LYS+  33 - QG2   ILE  103  12.92 +/- 1.77   0.304% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.21 +/- 3.47   0.269% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  15.71 +/- 2.99   0.213% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  17.35 +/- 2.65   0.122% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  18.04 +/- 2.27   0.102% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  14.02 +/- 2.77   0.347% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.90 +/- 3.70   0.186% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.47 +/- 2.13   0.184% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  18.55 +/- 2.71   0.136% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 138.4:
    *   T HA    ILE  103 - QD1   ILE  103   3.14 +/- 0.64  75.339% * 98.6567% (0.92 10.00   4.87 138.50) =  99.913%  kept
        T HA    THR   39 - QD1   ILE  103  11.39 +/- 2.50   7.657% *  0.7164% (0.67 10.00   0.02   0.02) =   0.074%
          HA    ASP-  44 - QD1   ILE  103   9.56 +/- 1.72   3.791% *  0.0933% (0.87  1.00   0.02   0.02) =   0.005%
          HA    SER   85 - QD1   ILE  103  16.84 +/- 3.64   1.421% *  0.0967% (0.90  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QD1   ILE  103  14.54 +/- 2.84   1.251% *  0.0967% (0.90  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - QD1   ILE  103  15.53 +/- 4.84   3.698% *  0.0274% (0.26  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   ILE  103  20.07 +/- 4.65   2.956% *  0.0220% (0.21  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   ILE  103  23.97 +/- 5.76   0.707% *  0.0911% (0.85  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QD1   ILE  103  17.23 +/- 2.96   0.755% *  0.0790% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   ILE  103  22.88 +/- 5.47   1.367% *  0.0305% (0.28  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QD1   ILE  103  21.21 +/- 2.46   0.444% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.83 +/- 1.85   0.615% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.768, support = 4.69, residual support = 138.4:
    * O T HB    ILE  103 - QD1   ILE  103   2.51 +/- 0.47  34.453% * 82.9317% (0.92  10.0 10.00   4.71 138.50) =  79.095%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  45.930% * 16.4121% (0.18  10.0 10.00   4.61 138.50) =  20.867%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.33 +/- 1.86  12.085% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.022%
          HB3   ASP- 105 - QD1   ILE  103   6.65 +/- 1.49   5.588% *  0.0822% (0.91   1.0  1.00   0.02   3.18) =   0.013%
          QB    LYS+  33 - QD1   ILE  103  12.81 +/- 1.59   0.337% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD1   ILE  103  15.78 +/- 2.53   0.175% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.59 +/- 2.65   0.622% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  16.47 +/- 3.07   0.152% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.53 +/- 3.30   0.119% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  17.54 +/- 2.93   0.115% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.21 +/- 4.56   0.211% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.14 +/- 2.50   0.133% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.89 +/- 2.21   0.081% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 215.1:
    * O T HB2   LEU  104 - HA    LEU  104   2.89 +/- 0.20  95.744% * 99.7433% (0.87  10.0 10.00   5.98 215.09) =  99.997%  kept
          QG2   VAL  108 - HA    LEU  104  10.63 +/- 0.92   2.029% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  14.54 +/- 2.59   1.012% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  19.47 +/- 1.56   0.322% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  16.12 +/- 3.31   0.894% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 215.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.41 +/- 0.16  94.934% * 99.4463% (0.76  10.0 10.00   5.31 215.09) =  99.994%  kept
          QD1   LEU   71 - HA    LEU  104  11.50 +/- 2.97   2.053% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - HA    LEU  104  12.07 +/- 2.64   1.406% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU  104  14.86 +/- 3.94   0.630% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  15.87 +/- 2.54   0.464% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  16.24 +/- 3.19   0.512% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 215.1:
    * O T HG    LEU  104 - HA    LEU  104   3.09 +/- 0.57  83.877% * 99.5259% (1.00  10.0 10.00   5.72 215.09) =  99.990%  kept
          HB3   LYS+ 121 - HA    LEU  104  11.77 +/- 5.50   3.716% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HA    LEU  104  11.46 +/- 5.33   5.202% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HA    LEU  104  16.23 +/- 3.55   1.817% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  17.53 +/- 2.48   0.676% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LEU  104  16.51 +/- 4.62   3.118% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    LEU  104  19.78 +/- 3.91   0.868% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  21.78 +/- 2.44   0.413% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  22.67 +/- 2.42   0.314% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 5.3, residual support = 215.0:
    *   T QD1   LEU  104 - HA    LEU  104   3.83 +/- 0.21  83.089% * 98.8828% (0.96 10.00   5.31 215.09) =  99.946%  kept
        T QD1   LEU   63 - HA    LEU  104  12.61 +/- 3.00   5.162% *  0.4212% (0.41 10.00   0.02   0.02) =   0.026%
        T QD1   LEU   73 - HA    LEU  104  14.19 +/- 2.89   4.034% *  0.4212% (0.41 10.00   0.02   0.02) =   0.021%
          QD2   LEU  115 - HA    LEU  104  13.49 +/- 1.93   2.603% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU  104  18.12 +/- 5.06   2.264% *  0.0889% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  19.68 +/- 5.41   1.785% *  0.0820% (0.80  1.00   0.02   0.02) =   0.002%
          QG2   ILE   89 - HA    LEU  104  17.79 +/- 2.70   1.063% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.956, support = 5.55, residual support = 202.6:
    *   T QD2   LEU  104 - HA    LEU  104   2.79 +/- 0.55  72.419% * 75.8564% (1.00 10.00   5.73 215.09) =  93.885%  kept
        T QD1   LEU   98 - HA    LEU  104   5.83 +/- 0.86  15.234% * 23.4129% (0.31 10.00   2.79  11.38) =   6.096%  kept
        T QG1   VAL   41 - HA    LEU  104   8.71 +/- 1.92   4.668% *  0.1501% (0.20 10.00   0.02   0.02) =   0.012%
        T QG2   VAL   18 - HA    LEU  104  16.50 +/- 2.56   0.525% *  0.4295% (0.56 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    LEU  104  10.02 +/- 1.86   5.928% *  0.0259% (0.34  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    LEU  104  15.94 +/- 2.59   0.583% *  0.0732% (0.96  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  16.19 +/- 1.96   0.643% *  0.0521% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 2.92 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 215.1:
    * O T HA    LEU  104 - HB2   LEU  104   2.89 +/- 0.20  98.832% * 99.7454% (0.87  10.0 10.00   5.98 215.09) =  99.999%  kept
          HA    GLU-  14 - HB2   LEU  104  22.82 +/- 3.38   0.282% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  23.70 +/- 4.94   0.296% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  22.09 +/- 4.68   0.372% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  26.47 +/- 4.82   0.218% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 215.1:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  95.467% * 99.4463% (0.66  10.0 10.00   5.40 215.09) =  99.994%  kept
          QD1   LEU   71 - HB2   LEU  104  10.29 +/- 3.31   2.375% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - HB2   LEU  104  10.64 +/- 2.60   1.234% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB2   LEU  104  13.33 +/- 4.11   0.359% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.76 +/- 2.57   0.232% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  14.38 +/- 3.19   0.333% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 215.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.71 +/- 0.27  79.661% * 99.5259% (0.87  10.0 10.00   5.95 215.09) =  99.986%  kept
          HB3   LYS+ 121 - HB2   LEU  104  10.11 +/- 5.82   6.498% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - HB2   LEU  104   9.93 +/- 5.63   6.666% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HB2   LEU  104  15.62 +/- 4.62   4.637% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB2   LEU  104  18.11 +/- 4.17   0.777% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB2   LEU  104  16.65 +/- 2.13   0.442% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HB2   LEU  104  15.36 +/- 3.70   0.803% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  20.23 +/- 3.00   0.276% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  20.89 +/- 2.66   0.241% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.4, residual support = 215.0:
    * O T QD1   LEU  104 - HB2   LEU  104   2.35 +/- 0.24  93.583% * 98.8828% (0.84  10.0 10.00   5.40 215.09) =  99.980%  kept
        T QD1   LEU   63 - HB2   LEU  104  11.12 +/- 2.85   2.682% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.012%
        T QD1   LEU   73 - HB2   LEU  104  13.11 +/- 3.05   1.367% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HB2   LEU  104  12.19 +/- 1.93   0.897% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  17.77 +/- 5.33   0.668% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  19.04 +/- 5.46   0.502% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  17.41 +/- 3.04   0.302% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 6.02, residual support = 213.2:
    * O T QD2   LEU  104 - HB2   LEU  104   2.82 +/- 0.44  70.807% * 93.1432% (0.87  10.0 10.00   6.04 215.09) =  99.056%  kept
          QD1   LEU   98 - HB2   LEU  104   6.16 +/- 0.78  10.088% *  5.9595% (0.27   1.0  1.00   4.15  11.38) =   0.903%  kept
        T QG1   VAL   41 - HB2   LEU  104   8.18 +/- 1.91  10.809% *  0.1843% (0.17   1.0 10.00   0.02   0.02) =   0.030%
        T QG2   VAL   18 - HB2   LEU  104  15.34 +/- 2.71   0.768% *  0.5273% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HB2   LEU  104   9.41 +/- 1.89   5.929% *  0.0318% (0.30   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB2   LEU  104  14.78 +/- 2.63   1.032% *  0.0899% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  15.25 +/- 1.97   0.566% *  0.0640% (0.60   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 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 215.1:
    * O T HA    LEU  104 - HB3   LEU  104   2.41 +/- 0.16  99.396% * 99.7454% (0.76  10.0 10.00   5.31 215.09) = 100.000%  kept
          HA    GLU-  14 - HB3   LEU  104  23.27 +/- 3.60   0.152% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  24.61 +/- 4.84   0.152% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  22.99 +/- 4.49   0.179% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  26.94 +/- 5.21   0.121% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 215.1:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.971% * 99.7433% (0.66  10.0 10.00   5.40 215.09) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.38 +/- 0.86   0.407% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  13.83 +/- 2.72   0.269% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.30 +/- 3.37   0.272% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.19 +/- 1.52   0.081% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 215.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.80 +/- 0.25  79.184% * 99.5259% (0.76  10.0 10.00   5.23 215.09) =  99.986%  kept
          HB3   LYS+ 121 - HB3   LEU  104  10.73 +/- 5.94   6.457% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - HB3   LEU  104  10.47 +/- 5.78   7.038% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HB3   LEU  104  16.00 +/- 4.91   4.003% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HB3   LEU  104  15.47 +/- 4.05   1.711% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  18.78 +/- 4.25   0.811% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB3   LEU  104  17.64 +/- 2.32   0.373% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  21.34 +/- 2.92   0.222% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  21.87 +/- 2.66   0.201% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 215.0:
    * O T QD1   LEU  104 - HB3   LEU  104   2.37 +/- 0.27  93.444% * 98.8828% (0.74  10.0 10.00   5.00 215.09) =  99.981%  kept
        T QD1   LEU   73 - HB3   LEU  104  13.83 +/- 3.30   2.289% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU   63 - HB3   LEU  104  11.94 +/- 2.86   1.465% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB3   LEU  104  18.65 +/- 5.21   0.807% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU  104  13.06 +/- 1.85   0.888% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  104  19.93 +/- 5.52   0.807% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HB3   LEU  104  18.33 +/- 2.87   0.301% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.762, support = 5.31, residual support = 214.3:
    * O T QD2   LEU  104 - HB3   LEU  104   2.67 +/- 0.44  74.717% * 96.2529% (0.76  10.0 10.00   5.32 215.09) =  99.618%  kept
          QD1   LEU   98 - HB3   LEU  104   6.52 +/- 1.00   9.246% *  2.8199% (0.24   1.0  1.00   1.90  11.38) =   0.361%  kept
        T QG1   VAL   41 - HB3   LEU  104   8.58 +/- 2.08   4.048% *  0.1905% (0.15   1.0 10.00   0.02   0.02) =   0.011%
          QG1   VAL   43 - HB3   LEU  104  10.25 +/- 2.09  10.254% *  0.0328% (0.26   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   VAL   18 - HB3   LEU  104  15.93 +/- 2.63   0.494% *  0.5449% (0.43   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HB3   LEU  104  15.31 +/- 2.91   0.736% *  0.0929% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  16.24 +/- 1.99   0.506% *  0.0661% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 215.1:
    * O T HA    LEU  104 - HG    LEU  104   3.09 +/- 0.57  98.140% * 99.7454% (1.00  10.0 10.00   5.72 215.09) =  99.999%  kept
          HA    GLU-  14 - HG    LEU  104  22.37 +/- 3.40   0.511% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  23.84 +/- 4.93   0.482% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.06 +/- 4.97   0.464% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  22.48 +/- 4.55   0.403% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 215.1:
    * O T HB2   LEU  104 - HG    LEU  104   2.71 +/- 0.27  96.515% * 99.7433% (0.87  10.0 10.00   5.95 215.09) =  99.997%  kept
          QG2   VAL  108 - HG    LEU  104  11.70 +/- 1.02   1.447% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HG    LEU  104  14.21 +/- 2.35   0.884% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HG    LEU  104  15.26 +/- 2.75   0.876% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  19.80 +/- 1.75   0.278% *  0.0605% (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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 215.0:
    * O T HB3   LEU  104 - HG    LEU  104   2.80 +/- 0.25  83.766% * 99.4463% (0.76  10.0 10.00   5.23 215.09) =  99.976%  kept
          QD1   LEU   71 - HG    LEU  104  10.01 +/- 2.86   9.901% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.015%
          QG1   VAL   70 - HG    LEU  104  10.76 +/- 2.56   3.412% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - HG    LEU  104  14.28 +/- 3.88   1.033% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  15.01 +/- 2.60   0.973% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  15.21 +/- 2.61   0.915% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 215.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.10 +/- 0.01  96.522% * 98.8828% (0.97  10.0 10.00   5.23 215.09) =  99.990%  kept
        T QD1   LEU   63 - HG    LEU  104  11.92 +/- 2.37   1.130% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - HG    LEU  104  13.23 +/- 2.93   0.844% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG    LEU  104  18.01 +/- 5.24   0.444% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.53 +/- 2.06   0.471% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  19.18 +/- 5.57   0.407% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  18.11 +/- 2.80   0.182% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 5.7, residual support = 213.9:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  83.485% * 93.9703% (1.00  10.0 10.00   5.71 215.09) =  99.432%  kept
          QD1   LEU   98 - HG    LEU  104   5.38 +/- 1.29   8.501% *  5.1244% (0.31   1.0  1.00   3.53  11.38) =   0.552%  kept
        T QG1   VAL   41 - HG    LEU  104   7.43 +/- 1.97   5.329% *  0.1860% (0.20   1.0 10.00   0.02   0.02) =   0.013%
        T QG2   VAL   18 - HG    LEU  104  15.55 +/- 2.73   0.341% *  0.5320% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HG    LEU  104   9.66 +/- 1.85   1.793% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HG    LEU  104  14.70 +/- 2.41   0.342% *  0.0907% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  16.11 +/- 1.70   0.209% *  0.0645% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 215.0:
    *   T HA    LEU  104 - QD1   LEU  104   3.83 +/- 0.21  71.023% * 99.2875% (0.96 10.00   5.31 215.09) =  99.973%  kept
        T HA    LEU  104 - QD1   LEU   63  12.61 +/- 3.00   4.435% *  0.1829% (0.18 10.00   0.02   0.02) =   0.011%
        T HA    LEU  104 - QD1   LEU   73  14.19 +/- 2.89   3.419% *  0.1829% (0.18 10.00   0.02   0.02) =   0.009%
          HA    ALA   12 - QD1   LEU   63  18.33 +/- 4.51   7.076% *  0.0119% (0.11  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU  104  17.94 +/- 2.86   1.069% *  0.0760% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  20.97 +/- 4.58   1.070% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU  104  21.01 +/- 3.92   0.842% *  0.0644% (0.62  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU  104  19.85 +/- 4.19   0.867% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   73  14.20 +/- 4.45   2.735% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   63  15.57 +/- 3.24   1.929% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.36 +/- 3.75   1.869% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  17.19 +/- 2.82   1.115% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  16.93 +/- 2.77   1.064% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  20.14 +/- 3.63   0.672% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  18.93 +/- 3.33   0.815% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.778, support = 5.28, residual support = 209.9:
    * O T HB2   LEU  104 - QD1   LEU  104   2.35 +/- 0.24  31.050% * 87.3520% (0.84  10.0 10.00   5.40 215.09) =  92.406%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  41.507% *  3.2482% (0.03  10.0 10.00   5.56 242.52) =   4.593%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.74 +/- 1.88  14.622% *  5.7753% (0.10   1.0 10.00   1.10   0.62) =   2.877%  kept
        T QD1   ILE  119 - QD1   LEU   73  11.00 +/- 3.47   1.300% *  2.3183% (0.10   1.0 10.00   0.44   0.02) =   0.103%  kept
        T QD1   ILE  119 - QD1   LEU  104  11.48 +/- 2.40   0.340% *  0.5701% (0.55   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LEU  104 - QD1   LEU   63  11.12 +/- 2.85   0.797% *  0.1609% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  104 - QD1   LEU   73  13.11 +/- 3.05   0.455% *  0.1609% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD1   LEU   73  14.82 +/- 6.44   7.382% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  12.35 +/- 2.71   0.374% *  0.1764% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104  10.53 +/- 1.11   0.398% *  0.0972% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  10.75 +/- 1.91   0.436% *  0.0325% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63  11.02 +/- 2.88   0.505% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.40 +/- 2.57   0.279% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.56 +/- 1.60   0.093% *  0.0530% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.71 +/- 1.81   0.463% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.68, support = 5.05, residual support = 216.7:
    * O T HB3   LEU  104 - QD1   LEU  104   2.37 +/- 0.27  30.565% * 85.6289% (0.74  10.0 10.00   5.00 215.09) =  91.360%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.49 +/- 0.36  28.079% *  8.4840% (0.07  10.0 10.00   5.81 242.52) =   8.316%  kept
          QG1   VAL   18 - QD1   LEU   73   7.92 +/- 5.47   4.476% *  1.2412% (0.16   1.0  1.00   1.34   0.58) =   0.194%  kept
        T HB3   LEU   63 - QD1   LEU   73   9.79 +/- 1.66   0.638% *  3.2990% (0.07   1.0 10.00   0.78   0.02) =   0.073%
          QD1   LEU   71 - QD1   LEU  104   8.04 +/- 2.46   3.655% *  0.1111% (0.96   1.0  1.00   0.02   0.02) =   0.014%
          QG1   VAL   70 - QD1   LEU   63   4.53 +/- 1.80  13.044% *  0.0199% (0.17   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - QD1   LEU  104   8.59 +/- 2.49   2.164% *  0.1081% (0.93   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU  123 - QD1   LEU   63   6.63 +/- 2.27   8.403% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   LEU   63 - QD1   LEU  104  12.29 +/- 2.59   0.366% *  0.4606% (0.40   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LEU  104 - QD1   LEU   73  13.83 +/- 3.30   0.583% *  0.1577% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QD1   LEU   63  11.94 +/- 2.86   0.460% *  0.1577% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   73   7.45 +/- 1.45   3.049% *  0.0205% (0.18   1.0  1.00   0.02   1.65) =   0.002%
          QD1   LEU  123 - QD1   LEU  104  11.22 +/- 3.70   0.518% *  0.1111% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU  104  12.03 +/- 2.38   0.434% *  0.1005% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU   63   8.73 +/- 3.90   1.556% *  0.0185% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   8.49 +/- 1.35   0.850% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.73 +/- 0.94   0.691% *  0.0199% (0.17   1.0  1.00   0.02   0.87) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  12.83 +/- 3.17   0.470% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.964, support = 5.23, residual support = 214.8:
    * O T HG    LEU  104 - QD1   LEU  104   2.10 +/- 0.01  56.174% * 98.4767% (0.97  10.0 10.00   5.23 215.09) =  99.877%  kept
          QG2   THR   26 - QD1   LEU  104  12.42 +/- 4.19  10.827% *  0.5382% (0.19   1.0  1.00   0.55   0.02) =   0.105%  kept
          HB3   LYS+ 121 - QD1   LEU  104   8.86 +/- 5.04   3.394% *  0.0985% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - QD1   LEU  104   8.68 +/- 4.82   4.429% *  0.0304% (0.30   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  11.92 +/- 2.37   0.665% *  0.1814% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   73  13.23 +/- 2.93   0.488% *  0.1814% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  33 - QD1   LEU  104  11.46 +/- 3.50   1.226% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU  104  14.98 +/- 3.73   0.598% *  0.0676% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   7.21 +/- 1.31   2.647% *  0.0125% (0.12   1.0  1.00   0.02   6.18) =   0.001%
          HB3   LYS+ 121 - QD1   LEU   63   8.17 +/- 2.11   1.603% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   73   6.83 +/- 4.43   7.781% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   8.25 +/- 0.69   1.023% *  0.0175% (0.17   1.0  1.00   0.02  41.69) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   9.78 +/- 2.18   0.991% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.66 +/- 1.65   0.150% *  0.0965% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  17.30 +/- 2.74   0.132% *  0.0950% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73  10.04 +/- 4.74   1.617% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  16.02 +/- 4.38   0.541% *  0.0178% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  12.11 +/- 2.61   0.407% *  0.0178% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.90 +/- 2.07   1.170% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  14.16 +/- 3.76   0.339% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.09 +/- 1.09   1.294% *  0.0045% (0.04   1.0  1.00   0.02   3.36) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  12.90 +/- 1.97   0.420% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  17.54 +/- 2.60   0.122% *  0.0246% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.02 +/- 3.00   0.802% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  13.96 +/- 2.99   0.327% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  14.29 +/- 4.07   0.393% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.87 +/- 1.81   0.441% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.961, support = 5.43, residual support = 213.9:
    * O T QD2   LEU  104 - QD1   LEU  104   2.03 +/- 0.06  42.428% * 91.9987% (0.97  10.0 10.00   5.44 215.09) =  99.420%  kept
          QD1   LEU   98 - QD1   LEU  104   5.46 +/- 0.93   2.895% *  6.3311% (0.30   1.0  1.00   4.46  11.38) =   0.467%  kept
        T QG1   VAL   41 - QD1   LEU  104   6.39 +/- 1.77   9.525% *  0.1821% (0.19   1.0 10.00   0.02   0.02) =   0.044%
          QG1   VAL   43 - QD1   LEU   73   6.27 +/- 2.60   8.148% *  0.1140% (0.06   1.0  1.00   0.39   2.81) =   0.024%
        T QG2   VAL   18 - QD1   LEU   73   8.59 +/- 5.09   9.086% *  0.0959% (0.10   1.0 10.00   0.02   0.58) =   0.022%
        T QG2   VAL   18 - QD1   LEU  104  12.43 +/- 2.56   0.271% *  0.5209% (0.55   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - QD1   LEU   63   9.90 +/- 2.83   7.583% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU  104 - QD1   LEU   63  10.26 +/- 2.28   0.654% *  0.1694% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   41 - QD1   LEU   73   7.75 +/- 2.31   2.973% *  0.0335% (0.04   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU  104 - QD1   LEU   73  11.24 +/- 2.48   0.493% *  0.1694% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   18 - QD1   LEU   63   9.06 +/- 3.72   0.829% *  0.0959% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU   73   6.77 +/- 4.21   4.514% *  0.0164% (0.17   1.0  1.00   0.02   4.66) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   8.58 +/- 1.88   1.625% *  0.0314% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   73   8.46 +/- 3.06   4.294% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU  104  11.72 +/- 2.46   0.398% *  0.0888% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   9.30 +/- 1.41   0.528% *  0.0335% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.56 +/- 2.61   1.470% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  13.68 +/- 1.73   0.159% *  0.0632% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.31 +/- 2.27   1.137% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.53 +/- 2.31   0.506% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73  10.02 +/- 2.06   0.482% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 215.1:
    *   T HA    LEU  104 - QD2   LEU  104   2.79 +/- 0.55  80.321% * 99.4871% (1.00 10.00   5.73 215.09) =  99.992%  kept
        T HA    LEU  104 - QG1   VAL   41   8.71 +/- 1.92   5.720% *  0.0534% (0.05 10.00   0.02   0.02) =   0.004%
        T HA    LEU  104 - QG2   VAL   18  16.50 +/- 2.56   0.598% *  0.1529% (0.15 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  20.01 +/- 4.49   0.582% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.68 +/- 1.52   3.162% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  18.72 +/- 3.30   0.443% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  12.88 +/- 3.03   3.049% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  18.84 +/- 4.23   0.557% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  21.73 +/- 4.23   0.349% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  15.39 +/- 4.32   1.495% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  22.28 +/- 6.26   0.430% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  18.13 +/- 3.82   0.973% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  17.65 +/- 4.17   1.167% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  21.82 +/- 5.44   0.407% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  18.23 +/- 4.53   0.747% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 215.1:
    * O T HB2   LEU  104 - QD2   LEU  104   2.82 +/- 0.44  71.383% * 99.4846% (0.87  10.0 10.00   6.04 215.09) =  99.984%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.18 +/- 1.91  10.839% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.008%
          QG2   VAL  108 - QD2   LEU  104   9.96 +/- 1.18   2.381% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU  104 - QG2   VAL   18  15.34 +/- 2.71   0.781% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QD2   LEU  104  12.19 +/- 2.12   1.167% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU  104  16.77 +/- 1.87   0.401% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18  11.00 +/- 3.09   2.177% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  13.11 +/- 2.45   1.024% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  17.54 +/- 4.60   1.565% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18  10.44 +/- 4.43   3.302% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  15.66 +/- 2.84   0.584% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.90 +/- 1.18   1.213% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.36 +/- 2.56   1.331% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.68 +/- 1.77   1.469% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  17.65 +/- 1.81   0.384% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.606, support = 4.98, residual support = 180.0:
    * O T HB3   LEU  104 - QD2   LEU  104   2.67 +/- 0.44  25.442% * 83.2932% (0.76  10.0 10.00   5.32 215.09) =  74.749%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.07  47.561% * 15.0197% (0.14  10.0 10.00   3.97  76.31) =  25.197%  kept
          QD1   LEU   71 - QG1   VAL   41   5.22 +/- 1.59  11.155% *  0.0483% (0.05   1.0  1.00   0.17   3.03) =   0.019%
          QG1   VAL   70 - QD2   LEU  104   9.12 +/- 2.47   2.598% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.010%
        T QG1   VAL   18 - QD2   LEU  104  12.62 +/- 2.07   0.272% *  0.9775% (0.90   1.0 10.00   0.02   0.02) =   0.009%
          QD1   LEU   71 - QD2   LEU  104   8.47 +/- 2.19   1.544% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   LEU  104 - QG1   VAL   41   8.58 +/- 2.08   1.294% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QG1   VAL   41  10.25 +/- 3.38   0.830% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QG2   VAL   18   9.44 +/- 4.22   2.545% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD2   LEU  104  12.21 +/- 3.24   0.326% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG2   VAL   18   9.06 +/- 3.68   1.283% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  15.93 +/- 2.63   0.133% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  104  13.02 +/- 2.64   0.338% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.86 +/- 1.50   2.359% *  0.0056% (0.05   1.0  1.00   0.02   2.62) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.44 +/- 3.07   0.537% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18  10.03 +/- 4.89   1.112% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.98 +/- 3.60   0.281% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.04 +/- 1.77   0.390% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 215.0:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  52.341% * 99.1967% (1.00  10.0 10.00   5.71 215.09) =  99.980%  kept
          HG2   LYS+  65 - QG2   VAL   18  10.49 +/- 7.34   8.909% *  0.0309% (0.04   1.0  1.00   0.16   0.02) =   0.005%
        T HG    LEU  104 - QG1   VAL   41   7.43 +/- 1.97   3.324% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+ 121 - QD2   LEU  104   9.89 +/- 4.48   1.373% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QD2   LEU  104  12.93 +/- 3.74   4.085% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD2   LEU  104   9.75 +/- 4.30   2.587% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QG2   VAL   18  10.43 +/- 7.29   4.526% *  0.0147% (0.15   1.0  1.00   0.02   1.29) =   0.001%
          HG2   LYS+  33 - QD2   LEU  104  11.87 +/- 3.15   1.520% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG2   VAL   18  11.23 +/- 5.91   3.680% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  15.55 +/- 2.73   0.218% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - QG2   VAL   18  10.69 +/- 2.58   4.094% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  15.81 +/- 3.35   0.270% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.44 +/- 2.35   5.588% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.57 +/- 1.99   0.154% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.15 +/- 3.39   0.644% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.68 +/- 2.05   0.102% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.50 +/- 3.71   1.204% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   8.56 +/- 2.51   2.143% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.43 +/- 4.54   0.505% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.54 +/- 2.36   0.481% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  18.24 +/- 2.29   0.099% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  19.03 +/- 4.13   0.147% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  12.47 +/- 4.57   0.688% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41  10.42 +/- 2.61   0.849% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.65 +/- 1.56   0.223% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  17.62 +/- 1.39   0.094% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.27 +/- 1.26   0.149% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.44, residual support = 215.0:
    * O T QD1   LEU  104 - QD2   LEU  104   2.03 +/- 0.06  60.782% * 98.4528% (0.97  10.0 10.00   5.44 215.09) =  99.957%  kept
        T QD1   LEU   73 - QG2   VAL   18   8.59 +/- 5.09  12.569% *  0.0644% (0.06   1.0 10.00   0.02   0.58) =   0.014%
        T QD1   LEU  104 - QG1   VAL   41   6.39 +/- 1.77  13.116% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.012%
        T QD1   LEU   63 - QD2   LEU  104  10.26 +/- 2.28   0.916% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   73 - QD2   LEU  104  11.24 +/- 2.48   0.727% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - QG1   VAL   41   7.75 +/- 2.31   4.253% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   9.06 +/- 3.72   1.210% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - QG2   VAL   18  12.43 +/- 2.56   0.428% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU  104  15.15 +/- 4.58   0.498% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  11.59 +/- 1.72   0.450% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD2   LEU  104  16.22 +/- 4.77   0.344% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.30 +/- 1.41   0.753% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  12.13 +/- 2.86   0.779% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  13.98 +/- 6.73   0.521% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  15.25 +/- 2.82   0.203% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  14.95 +/- 5.66   0.329% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  12.86 +/- 4.31   0.663% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  12.71 +/- 3.70   0.553% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  12.38 +/- 1.93   0.423% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  15.94 +/- 4.35   0.205% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  14.03 +/- 2.51   0.279% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.17, residual support = 41.9:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.74 +/- 0.19  90.646% * 99.5527% (0.95  10.0 10.00   3.17  41.90) =  99.994%  kept
          HB2   MET   96 - HA    ASP- 105   9.00 +/- 1.22   4.935% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HA    ASP- 105  13.26 +/- 1.24   0.922% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP- 105  17.46 +/- 1.69   0.442% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  20.82 +/- 3.80   0.450% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  13.45 +/- 2.91   1.241% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  21.67 +/- 1.98   0.215% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  15.20 +/- 2.50   0.738% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.18 +/- 3.22   0.410% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.17, residual support = 41.9:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.74 +/- 0.19  94.270% * 99.7814% (0.95  10.0 10.00   3.17  41.90) =  99.996%  kept
          HB    THR   23 - HB2   ASP- 105  22.68 +/- 5.73   2.698% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   23 - HB2   ASP- 105  21.95 +/- 5.72   2.618% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB2   ASP- 105  23.00 +/- 3.58   0.223% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  22.55 +/- 1.91   0.190% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 0.997, support = 6.27, residual support = 133.1:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.35 +/- 0.14  83.379% * 81.9236% (1.00  10.0 10.00   6.30 135.64) =  97.740%  kept
          HB3   ASP- 105 - HA    LYS+ 106   5.04 +/- 0.41   9.022% * 17.4589% (0.87   1.0  1.00   4.91  23.78) =   2.254%  kept
          HB    ILE  103 - HA    LYS+ 106   7.52 +/- 1.31   3.029% *  0.0656% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    LYS+ 106  20.00 +/- 4.10   1.550% *  0.0684% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HA    LYS+ 106  14.08 +/- 2.63   0.823% *  0.0626% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    LYS+ 106  18.32 +/- 3.00   0.269% *  0.0626% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.79 +/- 1.41   0.215% *  0.0775% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  19.25 +/- 2.75   0.193% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  18.91 +/- 1.67   0.176% *  0.0803% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.11 +/- 1.00   0.506% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.86 +/- 2.24   0.306% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.57 +/- 1.83   0.162% *  0.0497% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  17.38 +/- 2.76   0.370% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 135.6:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.30 +/- 0.48  94.046% * 98.2431% (1.00  10.0 10.00   5.09 135.64) =  99.988%  kept
        T QG    LYS+  81 - HA    LYS+ 106  19.19 +/- 2.48   0.583% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  33 - HA    LYS+ 106  18.96 +/- 2.03   0.621% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HA    LYS+ 106  11.06 +/- 2.28   3.954% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  17.81 +/- 2.27   0.796% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 135.5:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.79 +/- 0.37  74.750% * 98.5750% (1.00 10.00   4.80 135.64) =  99.933%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.25 +/- 1.29   3.865% *  0.9836% (1.00 10.00   0.02   0.02) =   0.052%
          HB2   LEU   73 - HA    LYS+ 106  14.78 +/- 3.47   3.062% *  0.0932% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HA    LYS+ 106  12.54 +/- 1.02   2.272% *  0.0823% (0.84  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HA    LYS+ 106  13.09 +/- 1.45   2.478% *  0.0716% (0.73  1.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106  11.63 +/- 2.11   3.555% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.20 +/- 0.85   3.351% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+ 106  11.36 +/- 1.28   3.411% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 106  13.27 +/- 0.86   1.930% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  16.92 +/- 3.72   1.325% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.971, support = 5.1, residual support = 122.3:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.46 +/- 0.48  52.003% * 87.0314% (1.00 10.00   5.23 135.64) =  89.333%  kept
          HB2   PHE   97 - HA    LYS+ 106   5.03 +/- 1.01  42.144% * 12.8147% (0.73  1.00   4.06  10.99) =  10.660%  kept
          HB3   PHE   60 - HA    LYS+ 106  12.37 +/- 2.00   3.079% *  0.0823% (0.95  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+ 106  16.45 +/- 3.14   2.054% *  0.0598% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    LYS+ 106  20.47 +/- 2.88   0.720% *  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 = 135.6:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.35 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   6.30 135.64) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 135.6:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.12  97.600% * 98.2431% (1.00  10.0 10.00   5.38 135.64) =  99.995%  kept
        T QG    LYS+  81 - QB    LYS+ 106  17.22 +/- 2.38   0.295% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QB    LYS+ 106  18.26 +/- 2.01   0.226% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  10.27 +/- 2.21   1.591% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  17.19 +/- 2.23   0.288% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 135.6:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.17 +/- 0.18  92.743% * 97.1433% (1.00  10.0 10.00   5.07 135.64) =  99.974%  kept
        T QD    LYS+  99 - QB    LYS+ 106  11.04 +/- 1.39   0.852% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.79 +/- 1.37   0.837% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   ILE   56 - QB    LYS+ 106  11.47 +/- 2.26   1.218% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU  123 - QB    LYS+ 106  16.91 +/- 3.21   0.279% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QB    LYS+ 106  11.00 +/- 0.95   0.797% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  14.50 +/- 3.13   0.687% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QB    LYS+ 106  10.01 +/- 1.54   1.255% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  11.04 +/- 0.95   0.767% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.29 +/- 1.12   0.565% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.969, support = 5.12, residual support = 121.6:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.92 +/- 0.55  82.334% * 57.8731% (1.00 10.00   5.50 135.64) =  88.769%  kept
        T HB2   PHE   97 - QB    LYS+ 106   6.12 +/- 1.10  14.341% * 42.0245% (0.73 10.00   2.12  10.99) =  11.228%  kept
          HB3   PHE   60 - QB    LYS+ 106  12.55 +/- 2.13   2.138% *  0.0547% (0.95  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QB    LYS+ 106  15.84 +/- 2.97   0.802% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  19.49 +/- 2.80   0.385% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 135.6:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.30 +/- 0.48  98.735% * 99.1803% (1.00  10.0 10.00   5.09 135.64) =  99.995%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  18.96 +/- 2.03   0.652% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 106 - QG    LYS+  81  19.19 +/- 2.48   0.612% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.743, support = 5.46, residual support = 137.2:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.12  25.858% * 48.9203% (1.00  10.0 10.00   5.38 135.64) =  52.125%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.09  27.606% * 28.0657% (0.57  10.0 10.00   5.62 154.56) =  31.925%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.02  34.669% * 10.7399% (0.22  10.0 10.00   5.46 111.15) =  15.342%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.34 +/- 0.74   1.448% *  9.9861% (0.87   1.0  1.00   4.71  23.78) =   0.596%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.06 +/- 1.99   2.823% *  0.0392% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG2   LYS+ 106  19.96 +/- 3.43   0.055% *  0.4881% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  18.36 +/- 1.79   0.055% *  0.4628% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.86 +/- 0.99   2.063% *  0.0122% (0.25   1.0  1.00   0.02   0.51) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.26 +/- 2.01   0.059% *  0.2967% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  33  16.72 +/- 4.78   0.639% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QG    LYS+  81  17.98 +/- 4.71   1.523% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  24.21 +/- 6.18   0.035% *  0.2960% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.29 +/- 4.50   0.246% *  0.0409% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  17.22 +/- 2.38   0.074% *  0.1076% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.11 +/- 1.75   0.425% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81  10.18 +/- 2.18   0.583% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  22.07 +/- 5.11   0.047% *  0.1018% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.68 +/- 2.66   0.097% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  16.76 +/- 2.81   0.149% *  0.0238% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  17.14 +/- 3.21   0.105% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.14 +/- 3.40   0.068% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.60 +/- 2.38   0.049% *  0.0480% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.79 +/- 3.78   0.202% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.33 +/- 1.29   0.116% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.88 +/- 2.84   0.073% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.15 +/- 2.15   0.043% *  0.0297% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.51 +/- 3.00   0.258% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.09 +/- 3.28   0.074% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.19 +/- 2.90   0.023% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.95 +/- 4.88   0.016% *  0.0291% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.24 +/- 4.17   0.047% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.87 +/- 6.18   0.087% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.16 +/- 6.04   0.229% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.28 +/- 3.64   0.015% *  0.0248% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  21.28 +/- 3.16   0.040% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.46 +/- 2.77   0.032% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.57 +/- 3.48   0.021% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.31 +/- 3.43   0.029% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.33 +/- 2.42   0.019% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.16, residual support = 135.5:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.36 +/- 0.14  80.259% * 96.6493% (1.00  10.0 10.00   4.17 135.64) =  99.933%  kept
        T QD    LYS+  99 - HG2   LYS+  33  11.05 +/- 3.95   5.023% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.038%
        T QD    LYS+  99 - HG2   LYS+ 106  11.27 +/- 1.89   1.722% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.021%
        T QD    LYS+ 106 - HG2   LYS+  33  18.11 +/- 2.38   0.222% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - QG    LYS+  81  17.36 +/- 2.85   0.288% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+  33  13.21 +/- 4.93   0.912% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG2   LYS+ 106  11.08 +/- 1.58   1.258% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG2   LYS+  33  12.32 +/- 3.83   1.958% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 106  13.97 +/- 1.42   0.455% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.88 +/- 1.81   1.416% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  16.68 +/- 3.26   0.362% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.81 +/- 1.78   0.365% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  14.07 +/- 2.23   0.530% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.63 +/- 2.68   0.108% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.85 +/- 2.89   0.788% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.33 +/- 1.25   0.324% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  19.10 +/- 4.16   0.285% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  20.55 +/- 6.38   0.426% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.09 +/- 2.45   0.462% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  15.90 +/- 3.26   0.706% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.40 +/- 3.00   0.792% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  15.94 +/- 2.76   0.420% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  21.31 +/- 4.20   0.246% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.18 +/- 2.37   0.129% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.99 +/- 3.14   0.069% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  24.85 +/- 3.95   0.114% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  29.04 +/- 3.01   0.048% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  27.03 +/- 4.66   0.097% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  24.41 +/- 3.11   0.088% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  22.35 +/- 3.28   0.124% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.995, support = 4.53, residual support = 133.4:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.62 +/- 0.45  70.892% * 92.5144% (1.00  10.0 10.00   4.58 135.64) =  98.169%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.15 +/- 1.88  19.147% *  6.3666% (0.73   1.0  1.00   1.90  10.99) =   1.825%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  18.06 +/- 2.03   0.270% *  0.5611% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HG2   LYS+  33   9.80 +/- 1.00   1.832% *  0.0385% (0.42   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 106 - QG    LYS+  81  17.89 +/- 3.39   0.312% *  0.2036% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  15.02 +/- 2.40   0.506% *  0.0875% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  33  15.27 +/- 2.77   0.684% *  0.0407% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  16.95 +/- 6.84   1.665% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.26 +/- 0.74   3.015% *  0.0076% (0.08   1.0  1.00   0.02   5.56) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.61 +/- 3.88   0.338% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  20.02 +/- 3.16   0.257% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.87 +/- 3.95   0.598% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.87 +/- 3.35   0.201% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  20.96 +/- 2.53   0.165% *  0.0148% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  26.51 +/- 4.68   0.118% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.6:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.79 +/- 0.37  95.078% * 99.1942% (0.99 10.00   4.80 135.64) =  99.958%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.25 +/- 1.29   4.922% *  0.8058% (0.81 10.00   0.02   0.02) =   0.042%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.99, support = 5.05, residual support = 134.7:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.17 +/- 0.18  66.237% * 82.9059% (0.99  10.0 10.00   5.07 135.64) =  99.151%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.82 +/- 0.79   3.144% * 14.1961% (0.86   1.0  1.00   3.95  23.78) =   0.806%  kept
          HB    ILE  103 - QD    LYS+ 106   5.72 +/- 2.22  11.134% *  0.0664% (0.79   1.0  1.00   0.02   0.02) =   0.013%
          QB    LYS+  33 - QD    LYS+  99  10.05 +/- 3.47   6.654% *  0.0637% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T QB    LYS+ 106 - QD    LYS+  99  11.04 +/- 1.39   0.610% *  0.6735% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T HB    ILE   56 - QD    LYS+ 106  15.16 +/- 2.99   0.314% *  0.6336% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  38 - QD    LYS+  99   9.61 +/- 3.48   2.667% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD    LYS+  99   8.64 +/- 1.37   1.736% *  0.0584% (0.70   1.0  1.00   0.02   0.48) =   0.002%
          HG2   ARG+  54 - QD    LYS+ 106  20.00 +/- 4.51   0.959% *  0.0692% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  99  11.85 +/- 3.91   2.333% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.28 +/- 1.21   1.075% *  0.0539% (0.64   1.0  1.00   0.02   0.71) =   0.001%
          HG3   PRO   68 - QD    LYS+  99  14.35 +/- 4.93   0.991% *  0.0515% (0.62   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - QD    LYS+  99  20.34 +/- 2.19   0.096% *  0.5147% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  16.91 +/- 2.33   0.182% *  0.0813% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  17.26 +/- 2.89   0.178% *  0.0827% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  16.83 +/- 1.76   0.184% *  0.0784% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.76 +/- 3.33   0.178% *  0.0634% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.39 +/- 1.68   0.425% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.29 +/- 2.57   0.215% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.66 +/- 1.57   0.112% *  0.0503% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.74 +/- 3.06   0.075% *  0.0672% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.10 +/- 3.52   0.064% *  0.0563% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.51 +/- 3.19   0.226% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  25.85 +/- 1.66   0.042% *  0.0660% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  21.66 +/- 1.36   0.071% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.25 +/- 2.65   0.098% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.16, residual support = 135.6:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.36 +/- 0.14  90.045% * 96.1045% (0.99  10.0 10.00   4.17 135.64) =  99.937%  kept
        T HG2   LYS+  33 - QD    LYS+  99  11.05 +/- 3.95   5.642% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.039%
        T HG2   LYS+ 106 - QD    LYS+  99  11.27 +/- 1.89   1.934% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.017%
        T QG    LYS+  81 - QD    LYS+ 106  17.36 +/- 2.85   0.323% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QD    LYS+ 106  18.11 +/- 2.38   0.249% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QD    LYS+  99  22.63 +/- 2.68   0.122% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+ 106  11.77 +/- 2.24   0.973% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  17.83 +/- 2.68   0.297% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  19.21 +/- 2.85   0.222% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.24 +/- 1.59   0.193% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 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 = 0.989, support = 3.37, residual support = 134.8:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  80.183% * 93.5601% (0.99  10.0 10.00   3.38 135.64) =  99.295%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.54 +/- 1.28   9.590% *  5.3249% (0.72   1.0  1.00   1.57  10.99) =   0.676%  kept
        T QE    LYS+ 106 - QD    LYS+  99  10.58 +/- 1.93   2.395% *  0.7600% (0.81   1.0 10.00   0.02   0.02) =   0.024%
          HB2   PHE   97 - QD    LYS+  99   7.29 +/- 0.94   2.476% *  0.0552% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    LYS+  99  13.87 +/- 4.11   2.263% *  0.0522% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - QD    LYS+ 106  13.73 +/- 2.71   0.559% *  0.0885% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  99  10.27 +/- 3.44   1.906% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.95 +/- 3.24   0.280% *  0.0643% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.58 +/- 2.58   0.209% *  0.0719% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  19.26 +/- 2.89   0.139% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.23, residual support = 135.6:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.46 +/- 0.48 100.000% *100.0000% (1.00 10.00   5.23 135.64) = 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 = 0.983, support = 5.29, residual support = 121.6:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.92 +/- 0.55  60.741% * 53.2563% (1.00 10.00   5.50 135.64) =  87.472%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.82 +/- 1.15   9.930% * 46.1960% (0.87 10.00   3.81  23.78) =  12.404%  kept
          HB    ILE  103 - QE    LYS+ 106   5.45 +/- 1.96  23.197% *  0.1889% (0.80  1.00   0.09   0.02) =   0.118%  kept
          HG2   ARG+  54 - QE    LYS+ 106  20.79 +/- 4.37   1.614% *  0.0445% (0.84  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - QE    LYS+ 106  15.95 +/- 2.81   0.775% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+ 106  17.50 +/- 2.65   0.483% *  0.0522% (0.98  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+ 106  17.75 +/- 3.49   0.413% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  16.74 +/- 1.48   0.388% *  0.0504% (0.95  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+ 106  19.13 +/- 3.36   0.355% *  0.0407% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.11 +/- 1.75   0.933% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.34 +/- 2.81   0.505% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.63 +/- 2.06   0.321% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  19.18 +/- 3.08   0.346% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 4.58, residual support = 135.6:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.62 +/- 0.45  96.487% * 98.2431% (1.00  10.0 10.00   4.58 135.64) =  99.991%  kept
        T QG    LYS+  81 - QE    LYS+ 106  17.89 +/- 3.39   0.462% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - QE    LYS+ 106  18.06 +/- 2.03   0.465% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - QE    LYS+ 106  12.45 +/- 2.33   2.016% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  18.44 +/- 3.14   0.570% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.6:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  90.959% * 98.5861% (0.99  10.0 10.00   3.38 135.64) =  99.967%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.58 +/- 1.93   2.698% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.030%
          HB3   LYS+  99 - QE    LYS+ 106  10.52 +/- 1.68   1.421% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QE    LYS+ 106   8.56 +/- 2.10   2.490% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QE    LYS+ 106  12.87 +/- 1.88   0.488% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.31 +/- 3.32   0.405% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  13.51 +/- 2.32   0.556% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  13.84 +/- 1.81   0.387% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  14.40 +/- 2.05   0.356% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  18.29 +/- 3.90   0.241% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.1:
    * O T HB    VAL  107 - HA    VAL  107   2.87 +/- 0.21  92.870% * 99.6302% (0.73  10.0 10.00   3.31  60.11) =  99.997%  kept
          QE    LYS+ 112 - HA    VAL  107  10.51 +/- 1.22   2.175% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    VAL  107  11.57 +/- 1.53   1.883% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    VAL  107  10.79 +/- 1.45   2.160% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  19.43 +/- 2.30   0.350% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  21.77 +/- 2.18   0.236% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.36 +/- 0.92   0.326% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.1:
    * O T HA    VAL  107 - HB    VAL  107   2.87 +/- 0.21  90.949% * 99.7511% (0.73  10.0 10.00   3.31  60.11) =  99.996%  kept
          HA    ALA  110 - HB    VAL  107   7.58 +/- 1.17   6.538% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  14.46 +/- 0.71   0.764% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  18.20 +/- 2.63   0.502% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  15.51 +/- 2.33   0.802% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  17.28 +/- 0.91   0.446% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 65.0:
    * O T HB    VAL  108 - HA    VAL  108   2.62 +/- 0.31  90.296% * 99.4465% (1.00  10.0 10.00   3.58  65.00) =  99.991%  kept
          HB2   PRO   93 - HA    VAL  108   8.09 +/- 2.04   5.608% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HA    VAL  108  15.92 +/- 3.34   2.516% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HA    VAL  108  13.89 +/- 2.05   0.759% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  20.90 +/- 2.25   0.216% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.18 +/- 0.95   0.168% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.88 +/- 2.70   0.193% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  21.99 +/- 2.56   0.190% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  33.22 +/- 4.78   0.053% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
    * O T QG1   VAL  108 - HA    VAL  108   2.62 +/- 0.18  97.403% * 99.8607% (1.00  10.0 10.00   3.97  65.00) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  15.31 +/- 3.06   0.724% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  14.18 +/- 1.72   0.757% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  16.97 +/- 4.07   0.609% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.26 +/- 1.94   0.508% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HA    VAL  108   2.69 +/- 0.52  94.969% * 99.7938% (1.00  10.0 10.00   3.30  65.00) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  11.71 +/- 1.76   1.756% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL  108  13.47 +/- 1.19   1.016% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  10.46 +/- 1.07   2.258% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.10 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   2.62 +/- 0.31  86.593% * 96.1481% (1.00  10.0 10.00   3.58  65.00) =  99.540%  kept
          HA1   GLY  109 - HB    VAL  108   5.64 +/- 0.32  10.348% *  3.7058% (0.31   1.0  1.00   2.50   7.50) =   0.458%  kept
          HA    ALA   47 - HB    VAL  108  14.49 +/- 3.04   1.060% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HB    VAL  108  16.99 +/- 4.41   1.281% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB    VAL  108  18.99 +/- 3.50   0.718% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 65.0:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.864% * 99.8607% (1.00  10.0 10.00   3.74  65.00) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  16.65 +/- 3.13   0.292% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.49 +/- 1.87   0.370% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  17.68 +/- 3.78   0.248% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.17 +/- 2.22   0.226% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.01  98.458% * 99.1471% (1.00  10.0 10.00   3.29  65.00) =  99.996%  kept
        T QD1   ILE  119 - HB    VAL  108  13.12 +/- 1.71   0.488% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HB    VAL  108  12.71 +/- 1.16   0.537% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB    VAL  108  12.53 +/- 0.99   0.517% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.985, support = 3.95, residual support = 63.7:
    * O T HA    VAL  108 - QG1   VAL  108   2.62 +/- 0.18  66.546% * 95.2113% (1.00  10.0 10.00   3.97  65.00) =  97.830%  kept
          HA1   GLY  109 - QG1   VAL  108   3.50 +/- 0.31  30.224% *  4.6441% (0.31   1.0  1.00   3.16   7.50) =   2.167%  kept
          HA    ALA   47 - QG1   VAL  108  11.81 +/- 2.82   1.409% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - QG1   VAL  108  13.83 +/- 3.80   1.150% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG1   VAL  108  15.45 +/- 3.20   0.672% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 65.0:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  93.705% * 99.4465% (1.00  10.0 10.00   3.74  65.00) =  99.994%  kept
          HB2   ARG+  54 - QG1   VAL  108  14.67 +/- 3.43   3.039% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - QG1   VAL  108   8.41 +/- 1.98   2.280% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QG1   VAL  108  13.85 +/- 1.60   0.391% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.19 +/- 2.14   0.146% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.53 +/- 0.96   0.125% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.96 +/- 2.40   0.131% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.55 +/- 2.44   0.134% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  29.57 +/- 4.39   0.047% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG2   VAL  108 - QG1   VAL  108   2.07 +/- 0.04  98.067% * 99.7938% (1.00  10.0 10.00   3.44  65.00) =  99.999%  kept
          HB2   LEU  104 - QG1   VAL  108  12.54 +/- 1.05   0.504% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL  108  11.76 +/- 1.38   0.615% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.57 +/- 0.90   0.815% *  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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 3.29, residual support = 64.4:
    * O T HA    VAL  108 - QG2   VAL  108   2.69 +/- 0.52  74.563% * 96.3204% (1.00  10.0 10.00   3.30  65.00) =  98.919%  kept
          HA1   GLY  109 - QG2   VAL  108   4.79 +/- 0.57  22.164% *  3.5332% (0.31   1.0  1.00   2.38   7.50) =   1.079%  kept
          HA    ALA   47 - QG2   VAL  108  12.26 +/- 2.83   1.577% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - QG2   VAL  108  14.52 +/- 3.61   1.028% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.09 +/- 3.37   0.667% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.01  94.609% * 98.6316% (1.00  10.0 10.00   3.29  65.00) =  99.991%  kept
        T HB    ILE  119 - QG2   VAL  108  13.14 +/- 2.01   0.515% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ARG+  54 - QG2   VAL  108  15.39 +/- 3.27   2.172% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - QG2   VAL  108   8.83 +/- 1.71   1.969% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   VAL  108  17.72 +/- 2.26   0.196% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.66 +/- 1.07   0.173% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.54 +/- 2.45   0.174% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.56 +/- 2.15   0.142% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  28.56 +/- 4.24   0.051% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG1   VAL  108 - QG2   VAL  108   2.07 +/- 0.04  98.268% * 99.8607% (1.00  10.0 10.00   3.44  65.00) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  14.33 +/- 2.72   0.420% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  12.33 +/- 1.62   0.565% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  14.96 +/- 3.09   0.406% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.59 +/- 1.80   0.341% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.29:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.163% * 98.9563% (1.00  10.0 10.00   2.00   9.29) =  99.998%  kept
        T HB2   TRP   49 - HA1   GLY  109  18.13 +/- 4.03   0.216% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR  118 - HA1   GLY  109  13.94 +/- 1.92   0.285% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.05 +/- 2.74   0.182% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.95 +/- 2.09   0.153% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.28:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  92.986% * 94.0056% (1.00  10.0 10.00   2.00   9.29) =  99.730%  kept
          HA    VAL  108 - HA2   GLY  109   4.44 +/- 0.06   5.723% *  3.9863% (0.31   1.0  1.00   2.75   7.50) =   0.260%  kept
        T HA    CYS   50 - HA2   GLY  109  15.18 +/- 4.26   0.668% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T HA    TRP   49 - HA2   GLY  109  17.60 +/- 3.29   0.186% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   47 - HA2   GLY  109  14.05 +/- 3.02   0.333% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  24.21 +/- 3.49   0.052% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.27 +/- 0.85   0.053% *  0.0458% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.57:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.02  96.025% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.980%  kept
        T QB    ALA   61 - HA    ALA  110  11.69 +/- 2.70   1.928% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.019%
          HG    LEU   80 - HA    ALA  110  19.87 +/- 4.63   0.208% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  17.55 +/- 3.93   0.397% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.11 +/- 4.07   0.218% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.04 +/- 3.43   0.173% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  18.22 +/- 3.36   0.202% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  16.36 +/- 1.54   0.231% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  18.08 +/- 2.75   0.238% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  23.30 +/- 3.00   0.087% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.45 +/- 1.01   0.218% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.59 +/- 1.49   0.074% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 1.31, residual support = 9.54:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  80.707% * 90.9876% (1.00  10.0 10.00   1.31   9.58) =  99.580%  kept
          HA    PHE   55 - QB    ALA   61   8.55 +/- 2.31   4.586% *  3.4177% (0.64   1.0  1.00   1.17   0.02) =   0.213%  kept
          HA    PHE   55 - QB    ALA  110   8.81 +/- 2.89   2.989% *  4.6420% (0.87   1.0  1.00   1.18   0.61) =   0.188%  kept
        T HA    ALA  110 - QB    ALA   61  11.69 +/- 2.70   1.625% *  0.6733% (0.74   1.0 10.00   0.02   0.02) =   0.015%
          HA    VAL  107 - QB    ALA  110   7.11 +/- 1.68   4.740% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    ALA  110  12.10 +/- 2.18   0.575% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  15.91 +/- 3.11   0.629% *  0.0660% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QB    ALA   61  13.19 +/- 2.46   1.460% *  0.0208% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   9.66 +/- 2.07   1.214% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.58 +/- 1.12   0.561% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.40 +/- 1.31   0.364% *  0.0253% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  13.80 +/- 3.26   0.549% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.96, residual support = 313.7:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.62 +/- 0.24  80.407% * 97.7214% (1.00  10.0 10.00   7.98 314.61) =  99.718%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.72 +/- 0.63  17.270% *  1.2783% (0.57   1.0  1.00   0.46   0.12) =   0.280%  kept
        T HG3   GLN   30 - HA    LYS+ 111  25.45 +/- 3.51   0.179% *  0.4757% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  12.10 +/- 1.23   0.904% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  26.63 +/- 4.51   0.167% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  22.90 +/- 2.44   0.149% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.82 +/- 3.41   0.125% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.03 +/- 3.91   0.247% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  29.05 +/- 4.47   0.126% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  21.84 +/- 2.77   0.181% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  24.48 +/- 2.80   0.165% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.09 +/- 1.32   0.082% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.6:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.27 +/- 0.55  73.223% * 99.2615% (1.00  10.0 10.00   7.31 314.61) =  99.985%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.47 +/- 2.69  16.797% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  44 - HA    LYS+ 111  12.79 +/- 2.75   3.008% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    LYS+ 111  15.09 +/- 1.79   0.930% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  21.14 +/- 4.08   0.592% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+ 111  12.60 +/- 2.85   2.455% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+ 111  16.21 +/- 1.47   0.734% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  15.73 +/- 2.34   0.826% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.38 +/- 1.39   0.490% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.38 +/- 3.34   0.204% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  23.95 +/- 1.37   0.216% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.29 +/- 1.96   0.392% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  29.02 +/- 2.37   0.132% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 7.27, residual support = 305.1:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.82 +/- 0.68  73.416% * 89.5925% (1.00  10.0 10.00   7.31 314.61) =  96.694%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   5.93 +/- 1.47  22.733% *  9.8572% (0.38   1.0  1.00   5.86  28.51) =   3.294%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  18.21 +/- 4.11   2.152% *  0.3363% (0.38   1.0 10.00   0.02   0.02) =   0.011%
          HG12  ILE   89 - HA    LYS+ 111  15.90 +/- 2.58   0.606% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+ 111  22.23 +/- 4.52   0.382% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  21.95 +/- 4.10   0.327% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  23.48 +/- 1.43   0.188% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.36 +/- 4.07   0.195% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.5:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.25 +/- 0.68  68.064% * 98.3525% (1.00 10.00   6.21 314.61) =  99.955%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.38 +/- 3.29  19.659% *  0.0853% (0.87  1.00   0.02   0.02) =   0.025%
          HB3   MET   92 - HA    LYS+ 111   9.81 +/- 2.16   6.086% *  0.0964% (0.98  1.00   0.02   0.02) =   0.009%
        T QD    LYS+ 102 - HA    LYS+ 111  21.64 +/- 1.55   0.332% *  0.6756% (0.69 10.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - HA    LYS+ 111  18.89 +/- 5.85   1.768% *  0.0882% (0.90  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 111  12.75 +/- 1.33   1.893% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HA    LYS+ 111  17.91 +/- 2.03   0.563% *  0.1518% (0.15 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 111  26.02 +/- 2.81   0.198% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  18.05 +/- 1.25   0.538% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  20.33 +/- 1.64   0.442% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  19.98 +/- 3.13   0.458% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.5:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.99 +/- 0.72  77.164% * 98.5544% (1.00 10.00   6.21 314.61) =  99.968%  kept
          QB    ALA   57 - HA    LYS+ 111  10.31 +/- 2.12   8.915% *  0.0983% (1.00  1.00   0.02   0.02) =   0.012%
          HD2   LYS+  74 - HA    LYS+ 111  18.62 +/- 4.24   8.656% *  0.0823% (0.84  1.00   0.02   0.02) =   0.009%
        T QD    LYS+  33 - HA    LYS+ 111  25.12 +/- 2.70   0.441% *  0.8839% (0.90 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HA    LYS+ 111  17.91 +/- 2.03   1.315% *  0.2457% (0.25 10.00   0.02   0.02) =   0.004%
          HB3   LEU  123 - HA    LYS+ 111  19.03 +/- 1.04   0.827% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.39 +/- 1.44   1.730% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  19.98 +/- 3.13   0.952% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.6:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.37 +/- 0.60  94.490% * 99.8490% (1.00 10.00   5.62 314.61) =  99.995%  kept
          HB2   PHE   45 - HA    LYS+ 111  11.75 +/- 1.82   4.378% *  0.0945% (0.95  1.00   0.02   0.02) =   0.004%
          HB2   CYS   21 - HA    LYS+ 111  22.83 +/- 4.83   1.131% *  0.0565% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 314.6:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.62 +/- 0.24  97.108% * 99.7221% (1.00  10.0 10.00   7.98 314.61) =  99.998%  kept
          HA    PRO   52 - HB2   LYS+ 111  13.35 +/- 3.25   2.581% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - HG3   GLN   30  25.45 +/- 3.51   0.218% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  27.78 +/- 2.71   0.093% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 0.996, support = 7.3, residual support = 313.2:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.86 +/- 0.17  66.408% * 94.3727% (1.00  10.0 10.00   7.31 314.61) =  99.450%  kept
          HB2   LEU   31 - HG3   GLN   30   7.24 +/- 0.85   7.385% *  4.6132% (0.20   1.0  1.00   4.91  52.29) =   0.541%  kept
          HG2   LYS+  99 - HG3   GLN   30  13.87 +/- 4.22   9.433% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HB2   LYS+ 111  10.00 +/- 2.40   3.589% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HB2   LYS+ 111  13.83 +/- 2.21   0.796% *  0.0685% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   GLN   30  18.19 +/- 6.46   3.565% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  15.76 +/- 1.91   0.446% *  0.0788% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG3   GLN   30  25.81 +/- 3.56   0.132% *  0.1897% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.17 +/- 4.30   0.239% *  0.0871% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  17.01 +/- 1.43   0.354% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.69 +/- 2.31   0.457% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.43 +/- 2.36   0.928% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.67 +/- 1.39   0.254% *  0.0534% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  13.68 +/- 2.66   0.909% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.56 +/- 3.27   0.760% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  20.52 +/- 7.80   0.670% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.63 +/- 1.71   0.127% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  25.47 +/- 3.13   0.109% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  20.21 +/- 2.12   0.213% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.64 +/- 2.78   1.056% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  15.87 +/- 2.81   0.528% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  28.96 +/- 2.47   0.069% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.26 +/- 3.40   0.525% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  19.65 +/- 4.81   0.351% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  23.15 +/- 4.31   0.182% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  16.05 +/- 2.88   0.519% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.994, support = 7.28, residual support = 312.1:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.83 +/- 0.19  57.072% * 88.3915% (1.00  10.0 10.00   7.29 314.61) =  99.128%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.49 +/- 1.24   4.236% * 10.2876% (0.38   1.0  1.00   6.20  28.51) =   0.856%  kept
        T HG2   LYS+  74 - HB2   LYS+ 111  19.32 +/- 3.87   1.234% *  0.3317% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HB3   LEU   71 - HG3   GLN   30  10.26 +/- 3.37  13.128% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   71 - HB2   LYS+ 111  22.63 +/- 4.46   0.183% *  0.3634% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   7.39 +/- 3.35  15.836% *  0.0035% (0.04   1.0  1.00   0.02  13.23) =   0.001%
        T HG2   LYS+  74 - HG3   GLN   30  14.06 +/- 3.18   0.733% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  17.07 +/- 2.62   0.353% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   GLN   30  10.98 +/- 3.75   3.447% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  26.20 +/- 3.54   0.120% *  0.1777% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  24.80 +/- 3.84   0.119% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  14.02 +/- 4.39   2.954% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  22.40 +/- 3.93   0.173% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.16 +/- 1.95   0.119% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  24.35 +/- 4.89   0.138% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  24.79 +/- 5.18   0.155% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.5:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.58 +/- 0.59  68.865% * 97.6852% (1.00  10.0 10.00   6.61 314.61) =  99.976%  kept
          HG3   PRO   93 - HB2   LYS+ 111  10.06 +/- 3.16   7.135% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   73 - HG3   GLN   30   9.79 +/- 5.23   9.612% *  0.0176% (0.18   1.0  1.00   0.02   2.63) =   0.003%
          HB3   MET   92 - HB2   LYS+ 111  11.15 +/- 2.18   1.461% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.21 +/- 2.01   0.169% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   GLN   30  16.84 +/- 3.22   0.748% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HB2   LYS+ 111  12.43 +/- 1.89   1.025% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   GLN   30  12.77 +/- 4.01   4.685% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB2   LYS+ 111  19.75 +/- 5.27   0.682% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.28 +/- 2.51   0.747% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  18.90 +/- 1.92   0.296% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HG3   GLN   30  22.11 +/- 3.87   0.246% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+ 111  25.97 +/- 2.96   0.115% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB2   LYS+ 111  17.34 +/- 1.59   0.349% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  20.39 +/- 6.98   1.573% *  0.0176% (0.18   1.0  1.00   0.02   0.52) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  27.32 +/- 3.71   0.099% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.01 +/- 1.70   0.265% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.73 +/- 3.25   0.437% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.26 +/- 2.54   0.517% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  20.96 +/- 3.36   0.190% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.24 +/- 3.03   0.136% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  20.71 +/- 6.76   0.648% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.978, support = 6.46, residual support = 306.1:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.07 +/- 0.32  64.145% * 91.4225% (1.00  10.0 10.00   6.61 314.61) =  97.304%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.94 +/- 1.01  23.296% *  6.9481% (0.18   1.0 10.00   0.84   0.51) =   2.686%  kept
          QB    ALA   57 - HB2   LYS+ 111  11.48 +/- 2.32   2.396% *  0.0912% (1.00   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  33 - HB2   LYS+ 111  25.28 +/- 2.48   0.123% *  0.8199% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB2   LYS+ 111  18.90 +/- 1.92   0.301% *  0.2280% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   GLN   30  21.09 +/- 7.24   4.062% *  0.0165% (0.18   1.0  1.00   0.02   0.52) =   0.001%
          HD2   LYS+  74 - HB2   LYS+ 111  19.76 +/- 3.93   0.638% *  0.0764% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  16.73 +/- 3.25   0.824% *  0.0458% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  18.33 +/- 1.26   0.321% *  0.0820% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  27.33 +/- 3.58   0.108% *  0.1838% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  14.64 +/- 1.98   0.699% *  0.0254% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  14.38 +/- 3.85   1.050% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  18.65 +/- 2.80   0.434% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  20.96 +/- 3.36   0.280% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  17.92 +/- 5.21   0.868% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  20.71 +/- 6.76   0.457% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 314.6:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.17 +/- 0.85  71.984% * 99.6189% (1.00 10.00   6.05 314.61) =  99.992%  kept
          HB2   CYS   21 - HG3   GLN   30   7.93 +/- 3.51  24.557% *  0.0113% (0.11  1.00   0.02   0.02) =   0.004%
          HB2   PHE   45 - HB2   LYS+ 111  12.93 +/- 1.53   1.768% *  0.0942% (0.95  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG3   GLN   30  24.85 +/- 3.18   0.349% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  23.44 +/- 4.75   0.797% *  0.0564% (0.57  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HG3   GLN   30  19.15 +/- 3.10   0.546% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.6:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.27 +/- 0.55  97.337% * 99.9354% (1.00  10.0 10.00   7.31 314.61) =  99.998%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.59 +/- 3.86   2.663% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.58 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 = 1.0, support = 7.31, residual support = 314.5:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.86 +/- 0.17  61.634% * 98.9314% (1.00  10.0 10.00   7.31 314.61) =  99.964%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.34 +/- 1.71  36.573% *  0.0560% (0.57   1.0  1.00   0.02   0.12) =   0.034%
        T HG3   GLN   30 - HG2   LYS+ 111  25.81 +/- 3.56   0.134% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   LYS+ 111  12.89 +/- 1.56   0.694% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  24.03 +/- 2.84   0.125% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  27.43 +/- 4.17   0.108% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.24 +/- 3.30   0.105% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  29.40 +/- 4.59   0.099% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.66 +/- 3.86   0.175% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  22.94 +/- 3.02   0.145% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  24.85 +/- 2.87   0.127% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  26.74 +/- 1.55   0.080% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 6.98, residual support = 314.2:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  96.901% * 89.2931% (1.00  10.0 10.00   6.98 314.61) =  99.845%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.43 +/- 1.80   1.408% *  9.0877% (0.38   1.0  1.00   5.42  28.51) =   0.148%  kept
        T HG2   LYS+  74 - HG2   LYS+ 111  19.42 +/- 4.37   1.240% *  0.3351% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T HG12  ILE   89 - HG2   LYS+ 111  16.40 +/- 3.56   0.197% *  0.8850% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.22 +/- 1.86   0.044% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  22.70 +/- 4.39   0.077% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  22.91 +/- 4.82   0.075% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.01 +/- 3.96   0.058% *  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 = 314.5:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.80 +/- 0.24  82.584% * 97.1375% (1.00  10.0 10.00   6.21 314.61) =  99.966%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  12.20 +/- 2.04   1.512% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.013%
          HG3   PRO   93 - HG2   LYS+ 111  10.01 +/- 3.06  11.070% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HB3   MET   92 - HG2   LYS+ 111  10.69 +/- 1.96   2.407% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.02 +/- 2.24   0.249% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG2   LYS+ 111  20.13 +/- 1.74   0.249% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG2   LYS+ 111  19.85 +/- 5.61   0.720% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.24 +/- 2.26   0.396% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  26.18 +/- 2.95   0.119% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.36 +/- 1.60   0.333% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.50 +/- 3.96   0.361% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.6:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.40 +/- 0.19  94.894% * 97.8296% (1.00  10.0 10.00   6.21 314.61) =  99.986%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  19.99 +/- 4.19   1.076% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA   57 - HG2   LYS+ 111  11.82 +/- 2.56   2.776% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG2   LYS+ 111  25.40 +/- 2.70   0.095% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.24 +/- 2.26   0.281% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  19.39 +/- 1.40   0.199% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  15.40 +/- 2.35   0.446% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.50 +/- 3.96   0.233% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.6:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   3.02 +/- 0.30  96.859% * 99.8490% (1.00  10.0 10.00   5.62 314.61) =  99.997%  kept
          HB2   PHE   45 - HG2   LYS+ 111  12.67 +/- 2.28   2.742% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - HG2   LYS+ 111  23.55 +/- 4.82   0.398% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.6:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.82 +/- 0.68  93.880% * 99.8218% (1.00  10.0 10.00   7.31 314.61) =  99.995%  kept
        T HA    LYS+ 111 - HG2   LYS+  74  18.21 +/- 4.11   2.641% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.003%
          HA    PRO   52 - HG3   LYS+ 111  13.17 +/- 3.56   2.597% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   52 - HG2   LYS+  74  16.71 +/- 2.94   0.882% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 314.5:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.83 +/- 0.19  61.522% * 98.2440% (1.00  10.0 10.00   7.29 314.61) =  99.968%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.84 +/- 1.28  23.561% *  0.0556% (0.57   1.0  1.00   0.02   0.12) =   0.022%
        T HB2   LYS+ 111 - HG2   LYS+  74  19.32 +/- 3.87   1.751% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T HB    ILE   19 - HG2   LYS+  74  11.49 +/- 6.09   2.501% *  0.0511% (0.05   1.0 10.00   0.02   7.89) =   0.002%
        T HB    ILE   19 - HG3   LYS+ 111  24.97 +/- 3.95   0.198% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   LYS+ 111  26.20 +/- 3.54   0.160% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   LYS+  74  14.06 +/- 3.18   0.844% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   LYS+  74  14.14 +/- 3.68   2.297% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.15 +/- 1.62   0.762% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  14.88 +/- 7.12   1.162% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  27.70 +/- 4.40   0.119% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  15.98 +/- 5.72   1.089% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  24.27 +/- 2.99   0.118% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.56 +/- 3.47   0.100% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  29.67 +/- 4.58   0.097% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  23.18 +/- 3.15   0.138% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.84 +/- 3.05   0.787% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.17 +/- 3.54   0.834% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  17.55 +/- 3.93   0.379% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.26 +/- 2.88   0.143% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  27.27 +/- 1.81   0.074% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  13.41 +/- 2.55   0.771% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  15.75 +/- 2.51   0.457% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.54 +/- 2.13   0.135% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 314.6:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  86.446% * 98.9181% (1.00  10.0 10.00   6.98 314.61) =  99.996%  kept
        T HG2   LYS+ 111 - HG2   LYS+  74  19.42 +/- 4.37   1.098% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HG3   LYS+ 111   9.97 +/- 2.56   2.237% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HG2   LYS+  74   9.10 +/- 2.66   3.694% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  14.05 +/- 2.50   0.421% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+  74   7.76 +/- 2.70   1.869% *  0.0077% (0.08   1.0  1.00   0.02   4.49) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  22.03 +/- 4.80   0.144% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.53 +/- 1.95   0.117% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.52 +/- 2.96   0.461% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.56 +/- 2.26   0.062% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  16.38 +/- 2.37   0.128% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  16.34 +/- 2.96   0.160% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.54 +/- 2.55   0.063% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.87 +/- 1.65   0.064% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  25.87 +/- 3.59   0.035% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  13.04 +/- 2.61   0.323% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.19 +/- 1.79   0.035% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.65 +/- 2.11   0.061% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  11.34 +/- 2.09   0.770% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.92 +/- 0.84   1.053% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  29.63 +/- 2.57   0.019% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.93 +/- 2.30   0.142% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  12.70 +/- 1.86   0.298% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  16.81 +/- 2.45   0.129% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  17.64 +/- 1.88   0.096% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  19.31 +/- 2.14   0.075% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 314.0:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.77 +/- 0.19  69.219% * 94.6594% (1.00  10.0 10.00   5.39 314.61) =  99.785%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.67 +/- 0.70   5.482% *  2.1610% (0.10   1.0  1.00   4.76  41.69) =   0.180%  kept
          HG3   PRO   93 - HG3   LYS+ 111   9.89 +/- 3.24   8.614% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.011%
        T QD    LYS+ 106 - HG3   LYS+ 111  12.66 +/- 2.01   0.923% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.010%
          HB3   MET   92 - HG3   LYS+ 111  10.61 +/- 2.41   2.942% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HG3   LYS+ 111  20.58 +/- 1.89   0.190% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.58 +/- 2.03   0.167% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.78 +/- 4.28   0.980% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  74   9.22 +/- 2.55   5.683% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG3   LYS+ 111  20.15 +/- 5.52   0.549% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.29 +/- 2.30   0.258% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG2   LYS+  74  17.94 +/- 2.65   0.404% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  16.64 +/- 2.34   0.380% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  26.57 +/- 2.88   0.095% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.75 +/- 1.52   0.249% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  12.54 +/- 2.64   1.433% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  21.22 +/- 1.98   0.170% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  18.74 +/- 3.13   0.335% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  15.03 +/- 2.57   0.625% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.76 +/- 3.90   0.247% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  19.46 +/- 2.87   0.335% *  0.0091% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.67 +/- 1.95   0.722% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.922, support = 5.4, residual support = 303.6:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.87 +/- 0.21  43.323% * 89.7666% (1.00  10.0 10.00   5.39 314.61) =  91.410%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.82 +/- 0.18  45.416% *  8.0133% (0.09  10.0 10.00   5.54 186.77) =   8.554%  kept
        T HD2   LYS+  74 - HG3   LYS+ 111  20.13 +/- 4.23   1.386% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.024%
          QB    ALA   57 - HG3   LYS+ 111  11.71 +/- 2.49   1.515% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HG2   LYS+  74   9.22 +/- 2.55   3.775% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.06 +/- 4.28   0.906% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 111  25.78 +/- 2.69   0.074% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.29 +/- 2.30   0.223% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  15.68 +/- 2.89   0.349% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  10.26 +/- 2.41   1.425% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.76 +/- 1.39   0.139% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.91 +/- 2.14   0.305% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.76 +/- 3.90   0.197% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  20.26 +/- 2.99   0.204% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.67 +/- 1.95   0.525% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  17.34 +/- 2.67   0.239% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 314.6:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.31 +/- 0.34  90.824% * 99.7265% (1.00  10.0 10.00   5.44 314.61) =  99.996%  kept
        T QE    LYS+ 111 - HG2   LYS+  74  18.85 +/- 3.88   1.851% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   45 - HG3   LYS+ 111  12.75 +/- 2.26   0.755% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+  74  10.38 +/- 6.00   5.313% *  0.0060% (0.06   1.0  1.00   0.02   9.01) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  23.82 +/- 4.84   0.201% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74  11.11 +/- 1.87   1.056% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.6:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.25 +/- 0.68  88.761% * 99.4172% (1.00 10.00   6.21 314.61) =  99.991%  kept
          HA    PRO   52 - HD2   LYS+ 111  13.74 +/- 3.44   8.236% *  0.0643% (0.65  1.00   0.02   0.02) =   0.006%
        T HA    LYS+ 111 - QD    LYS+  65  17.91 +/- 2.03   0.816% *  0.1523% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - QD    LYS+ 102  21.64 +/- 1.55   0.427% *  0.2599% (0.26 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - QD    LYS+  38  26.02 +/- 2.81   0.263% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  15.86 +/- 2.47   1.048% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  27.16 +/- 3.45   0.265% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  29.08 +/- 2.71   0.184% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.5:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.58 +/- 0.59  53.422% * 97.9440% (1.00  10.0 10.00   6.61 314.61) =  99.973%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.83 +/- 1.37  16.520% *  0.0555% (0.57   1.0  1.00   0.02   0.12) =   0.018%
        T HG3   GLN   30 - QD    LYS+ 102  16.84 +/- 3.22   0.605% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65  14.04 +/- 6.89   2.898% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  27.32 +/- 3.71   0.079% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  18.90 +/- 1.92   0.235% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.21 +/- 2.01   0.132% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+ 102   8.41 +/- 1.58   3.984% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.43 +/- 1.80   2.075% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  16.73 +/- 3.25   0.348% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.28 +/- 2.51   0.562% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.31 +/- 1.85   2.115% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  15.22 +/- 5.08   0.742% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.55 +/- 1.48   0.476% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.22 +/- 4.37   0.326% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.09 +/- 5.14   0.303% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38   9.38 +/- 2.68   3.362% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.06 +/- 2.60   0.076% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  28.66 +/- 4.13   0.066% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.09 +/- 3.45   0.965% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  25.97 +/- 2.96   0.084% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  27.50 +/- 3.15   0.062% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.00 +/- 3.53   0.805% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  21.96 +/- 4.52   0.212% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.08 +/- 3.90   0.112% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  30.78 +/- 4.83   0.060% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.96 +/- 2.95   0.834% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.38 +/- 3.25   0.371% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  14.69 +/- 4.54   0.629% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.13 +/- 3.69   1.469% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.67 +/- 3.78   0.193% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.68 +/- 1.91   0.286% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  16.28 +/- 4.00   0.558% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  23.96 +/- 2.94   0.085% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.38 +/- 1.86   0.395% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  20.60 +/- 4.97   0.207% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.06 +/- 1.71   0.778% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  20.12 +/- 4.17   0.223% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  26.35 +/- 2.96   0.079% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.06 +/- 1.24   0.062% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  11.71 +/- 2.46   1.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.05 +/- 3.48   0.241% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.22 +/- 5.62   0.794% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  15.42 +/- 2.53   0.357% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  19.16 +/- 3.02   0.187% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.98 +/- 2.69   0.328% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.20 +/- 2.97   0.176% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.93 +/- 2.48   0.126% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.919, support = 6.16, residual support = 306.4:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.80 +/- 0.24  28.721% * 90.8110% (1.00  10.0 10.00   6.21 314.61) =  91.386%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.38 +/- 0.14  44.603% *  5.4729% (0.06  10.0 10.00   5.75 220.94) =   8.553%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.97 +/- 3.07   2.915% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.029%
        T HG2   LYS+  99 - QD    LYS+ 102   8.82 +/- 1.40   1.232% *  0.2129% (0.23   1.0 10.00   0.02   1.54) =   0.009%
        T HG2   LYS+  99 - QD    LYS+  38   9.64 +/- 3.02   2.873% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  38 - QD    LYS+ 102  14.70 +/- 3.72   0.805% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.98 +/- 1.49   0.040% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   7.36 +/- 1.52   2.918% *  0.0106% (0.12   1.0  1.00   0.02   2.15) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  15.12 +/- 2.76   0.348% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+ 102  14.85 +/- 4.75   0.922% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.02 +/- 2.24   0.076% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.93 +/- 0.85   1.545% *  0.0116% (0.13   1.0  1.00   0.02   3.36) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.24 +/- 2.26   0.122% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.49 +/- 2.53   0.023% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HD2   LYS+ 111  23.04 +/- 4.78   0.159% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  10.41 +/- 2.58   1.922% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  20.55 +/- 3.18   0.089% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  20.05 +/- 3.17   0.099% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.41 +/- 3.22   0.703% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.48 +/- 1.86   0.129% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.14 +/- 3.07   0.222% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.48 +/- 2.52   0.630% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.06 +/- 1.85   0.139% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.03 +/- 3.10   2.467% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.73 +/- 4.35   1.070% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  18.53 +/- 4.80   0.340% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.01 +/- 1.56   0.083% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.60 +/- 5.79   0.285% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  26.96 +/- 3.41   0.039% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.02 +/- 7.72   0.819% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.17 +/- 2.72   0.964% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.54 +/- 2.08   0.069% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  26.18 +/- 2.95   0.038% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  22.06 +/- 5.12   0.097% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.34 +/- 2.66   0.105% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.61 +/- 1.44   0.116% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.08 +/- 2.64   0.253% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.16 +/- 3.11   0.137% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  16.73 +/- 3.73   0.305% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.07 +/- 2.41   0.345% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  18.86 +/- 3.58   0.127% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.59 +/- 4.20   0.189% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  19.21 +/- 2.56   0.103% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.85 +/- 2.43   0.121% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.06 +/- 1.54   0.077% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.90 +/- 1.89   0.137% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.80 +/- 1.76   0.099% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.80 +/- 3.90   0.054% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.31 +/- 3.46   0.060% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  22.20 +/- 2.39   0.065% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.60 +/- 2.38   0.141% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  22.86 +/- 2.69   0.061% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 313.3:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.77 +/- 0.19  64.123% * 90.8323% (1.00  10.0 10.00   5.39 314.61) =  99.547%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.27 +/- 1.40   3.374% *  7.4593% (0.38   1.0  1.00   4.38  28.51) =   0.430%  kept
        T HG2   LYS+  74 - HD2   LYS+ 111  20.78 +/- 4.28   0.973% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  99 - QD    LYS+ 102   8.95 +/- 1.69   3.471% *  0.0810% (0.09   1.0 10.00   0.02   1.54) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  65   9.22 +/- 2.55   5.290% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  99 - QD    LYS+  38  10.00 +/- 3.37   7.568% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.58 +/- 2.03   0.154% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.29 +/- 2.30   0.245% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  17.37 +/- 3.14   0.367% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.52 +/- 1.65   0.100% *  0.3098% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD    LYS+  65  20.41 +/- 4.70   1.051% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  21.22 +/- 1.98   0.158% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.32 +/- 3.17   0.216% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.19 +/- 3.21   1.901% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  18.74 +/- 3.13   0.312% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.30 +/- 2.21   2.806% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.67 +/- 2.52   2.497% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.57 +/- 2.88   0.088% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  24.03 +/- 4.17   0.146% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.25 +/- 4.60   0.154% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.05 +/- 2.02   0.857% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.82 +/- 3.45   0.527% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.83 +/- 3.25   0.476% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  21.51 +/- 3.63   0.178% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.56 +/- 1.62   0.697% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  14.61 +/- 4.94   0.919% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.39 +/- 4.00   0.112% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.33 +/- 3.15   0.261% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  23.23 +/- 2.33   0.128% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.88 +/- 3.04   0.644% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.43 +/- 3.87   0.096% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  25.45 +/- 3.58   0.114% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.08 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 = 314.6:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.32 +/- 0.13  96.232% * 99.2899% (1.00  10.0 10.00   4.97 314.61) =  99.998%  kept
          HB2   PHE   45 - HD2   LYS+ 111  13.85 +/- 2.16   0.644% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+ 102  19.95 +/- 1.80   0.169% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.37 +/- 1.83   0.229% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  24.93 +/- 4.98   0.164% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.45 +/- 4.08   0.565% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  15.14 +/- 2.71   0.493% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.65 +/- 4.50   0.803% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  24.77 +/- 2.44   0.091% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.86 +/- 1.79   0.245% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.83 +/- 2.08   0.238% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.67 +/- 1.29   0.126% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.6:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.99 +/- 0.72  85.912% * 98.7339% (1.00 10.00   6.21 314.61) =  99.983%  kept
          HA    PRO   52 - HD3   LYS+ 111  14.35 +/- 3.69   9.615% *  0.0639% (0.65  1.00   0.02   0.02) =   0.007%
        T HA    LYS+ 111 - QD    LYS+  33  25.12 +/- 2.70   0.494% *  0.8848% (0.90 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 111 - QD    LYS+  65  17.91 +/- 2.03   1.560% *  0.2444% (0.25 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - QD    LYS+  65  15.86 +/- 2.47   2.089% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.72 +/- 2.56   0.331% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.96, support = 6.22, residual support = 293.0:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.07 +/- 0.32  33.045% * 81.8104% (1.00  10.0 10.00   6.61 314.61) =  93.117%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.94 +/- 1.01  12.615% * 15.0447% (0.44   1.0 10.00   0.84   0.51) =   6.537%  kept
          HB2   GLN   30 - QD    LYS+  33   4.91 +/- 0.99  11.881% *  0.6881% (0.20   1.0  1.00   0.84   0.51) =   0.282%  kept
          QB    GLU- 114 - HD3   LYS+ 111   5.03 +/- 1.54  15.359% *  0.0463% (0.57   1.0  1.00   0.02   0.12) =   0.025%
          QB    GLU-  15 - QD    LYS+  33   9.27 +/- 4.35   4.263% *  0.0727% (0.89   1.0  1.00   0.02   0.02) =   0.011%
          HB3   PRO   68 - QD    LYS+  33  15.03 +/- 4.04   3.157% *  0.0636% (0.78   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE   19 - QD    LYS+  33   8.55 +/- 2.82   3.757% *  0.0357% (0.44   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - QD    LYS+  33  11.10 +/- 2.37   1.120% *  0.0727% (0.89   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QD    LYS+  33  12.01 +/- 1.29   0.698% *  0.0657% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  33  25.28 +/- 2.48   0.062% *  0.7331% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD    LYS+  65  14.04 +/- 6.89   2.268% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QD    LYS+  33  15.16 +/- 3.63   1.488% *  0.0301% (0.37   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  16.73 +/- 3.25   0.413% *  0.0986% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.43 +/- 1.80   1.840% *  0.0176% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  18.90 +/- 1.92   0.156% *  0.2025% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  33  11.83 +/- 2.86   1.365% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  27.33 +/- 3.58   0.057% *  0.3982% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65   9.31 +/- 1.85   2.396% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  15.22 +/- 5.08   0.645% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.83 +/- 1.47   0.441% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  20.60 +/- 4.97   0.307% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  14.69 +/- 4.54   0.540% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  20.64 +/- 2.48   0.128% *  0.0415% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  25.33 +/- 2.83   0.067% *  0.0710% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.56 +/- 3.16   0.054% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  19.25 +/- 3.64   0.254% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  28.82 +/- 4.10   0.049% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  30.85 +/- 4.88   0.046% *  0.0734% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.38 +/- 1.86   0.251% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.20 +/- 3.90   0.071% *  0.0398% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  24.24 +/- 3.05   0.079% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.06 +/- 1.71   0.544% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.98 +/- 2.69   0.385% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  26.38 +/- 2.83   0.059% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.00 +/- 1.48   0.046% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.93 +/- 2.48   0.094% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 313.9:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.40 +/- 0.19  71.799% * 93.2152% (1.00  10.0 10.00   6.21 314.61) =  99.789%  kept
          HB2   LEU   31 - QD    LYS+  33   7.38 +/- 0.88   3.330% *  3.9622% (0.89   1.0  1.00   0.96   0.99) =   0.197%  kept
          HG2   LYS+  99 - QD    LYS+  33  11.44 +/- 3.15   1.627% *  0.0749% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HD3   LYS+ 111  11.38 +/- 2.72   3.690% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD    LYS+  33  15.59 +/- 5.92   1.819% *  0.0473% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    LYS+  33   9.68 +/- 1.28   1.219% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  25.40 +/- 2.70   0.071% *  0.8353% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.24 +/- 2.26   0.211% *  0.2308% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.93 +/- 0.85   2.451% *  0.0193% (0.21   1.0  1.00   0.02   3.36) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.05 +/- 3.17   0.206% *  0.1848% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  20.55 +/- 3.18   0.180% *  0.2070% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD3   LYS+ 111  15.42 +/- 2.49   0.474% *  0.0677% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  15.72 +/- 2.62   0.332% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.86 +/- 1.92   0.615% *  0.0374% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.48 +/- 2.52   1.232% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.23 +/- 5.01   0.222% *  0.0860% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  18.53 +/- 4.80   0.831% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  22.02 +/- 6.29   0.201% *  0.0771% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.84 +/- 1.82   0.197% *  0.0779% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.93 +/- 2.45   0.240% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.03 +/- 3.10   3.385% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.27 +/- 3.26   0.378% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.73 +/- 4.35   1.445% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.70 +/- 3.15   0.770% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  17.05 +/- 2.28   0.251% *  0.0418% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.04 +/- 1.53   0.131% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  26.92 +/- 3.51   0.064% *  0.0924% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  24.93 +/- 1.58   0.069% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.08 +/- 2.64   0.393% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.16 +/- 3.11   0.221% *  0.0229% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.50 +/- 2.23   0.119% *  0.0418% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  20.58 +/- 4.02   0.161% *  0.0285% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  23.36 +/- 3.84   0.104% *  0.0374% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.00 +/- 2.90   0.151% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.07 +/- 2.41   0.518% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.85 +/- 2.43   0.347% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.19 +/- 2.32   0.229% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  30.53 +/- 2.51   0.039% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.59 +/- 4.20   0.280% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 5.39, residual support = 313.0:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.87 +/- 0.21  55.619% * 90.2597% (1.00  10.0 10.00   5.39 314.61) =  99.436%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   8.92 +/- 1.93   3.570% *  7.4121% (0.38   1.0  1.00   4.38  28.51) =   0.524%  kept
        T HG2   LYS+  74 - QD    LYS+  65   9.22 +/- 2.55   4.988% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  74 - HD3   LYS+ 111  21.06 +/- 4.28   1.182% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   71 - QD    LYS+  33   9.48 +/- 4.18  11.026% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LEU   71 - QD    LYS+  33   9.23 +/- 3.42   7.617% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  33  15.68 +/- 2.89   0.467% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - QD    LYS+  33   8.35 +/- 3.09   5.581% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  33  25.78 +/- 2.69   0.098% *  0.8088% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  65  19.29 +/- 2.30   0.291% *  0.2234% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD    LYS+  33  11.67 +/- 3.41   1.888% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  17.53 +/- 3.48   0.390% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD    LYS+  65  20.41 +/- 4.70   1.051% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.19 +/- 3.21   2.760% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.32 +/- 3.17   0.196% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  25.10 +/- 4.26   0.128% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.05 +/- 2.02   0.880% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  24.21 +/- 4.25   0.156% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.56 +/- 1.62   0.676% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  24.43 +/- 4.65   0.150% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  24.38 +/- 4.04   0.137% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  14.61 +/- 4.94   0.933% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.46 +/- 1.71   0.098% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  26.52 +/- 3.95   0.117% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.6:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.43 +/- 0.13  94.623% * 98.5534% (1.00  10.0 10.00   4.97 314.61) =  99.995%  kept
          HB2   CYS   21 - QD    LYS+  33  10.91 +/- 2.98   2.080% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  14.12 +/- 2.31   1.111% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  24.29 +/- 2.36   0.115% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.37 +/- 1.83   0.278% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  33  20.13 +/- 2.67   0.202% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  15.14 +/- 2.71   0.620% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.11 +/- 4.98   0.212% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.65 +/- 4.50   0.759% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.6:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.37 +/- 0.60  94.529% * 99.9354% (1.00 10.00   5.62 314.61) =  99.996%  kept
          HA    PRO   52 - QE    LYS+ 111  12.26 +/- 2.96   5.471% *  0.0646% (0.65  1.00   0.02   0.02) =   0.004%
    Distance limit 3.47 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 314.5:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.17 +/- 0.85  73.282% * 98.9314% (1.00 10.00   6.05 314.61) =  99.977%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.35 +/- 1.23  22.047% *  0.0560% (0.57  1.00   0.02   0.12) =   0.017%
        T HG3   GLN   30 - QE    LYS+ 111  24.85 +/- 3.18   0.485% *  0.4816% (0.49 10.00   0.02   0.02) =   0.003%
          HB    ILE  119 - QE    LYS+ 111  13.09 +/- 1.76   1.406% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  27.84 +/- 4.30   0.347% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  26.24 +/- 3.72   0.314% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.80 +/- 3.43   0.575% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  25.08 +/- 3.02   0.276% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  22.82 +/- 2.53   0.299% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  21.88 +/- 2.77   0.340% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  23.98 +/- 2.62   0.442% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  25.46 +/- 1.84   0.188% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.6:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   3.02 +/- 0.30  79.631% * 99.2615% (1.00  10.0 10.00   5.62 314.61) =  99.990%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.86 +/- 2.58  11.477% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - QE    LYS+ 111  13.70 +/- 2.31   1.381% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QE    LYS+ 111  20.44 +/- 4.33   0.875% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  16.22 +/- 1.74   0.593% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QE    LYS+ 111  12.75 +/- 2.86   2.985% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QE    LYS+ 111  14.69 +/- 1.96   0.775% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  14.96 +/- 2.79   0.998% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.74 +/- 1.58   0.396% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  22.80 +/- 1.82   0.228% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  24.47 +/- 3.39   0.185% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.54 +/- 2.09   0.354% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  27.65 +/- 2.21   0.121% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 5.43, residual support = 312.9:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.31 +/- 0.34  91.182% * 91.1885% (1.00  10.0 10.00   5.44 314.61) =  99.419%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.77 +/- 1.70   5.802% *  8.2513% (0.38   1.0  1.00   4.82  28.51) =   0.572%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  18.85 +/- 3.88   1.859% *  0.3422% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HG12  ILE   89 - QE    LYS+ 111  15.06 +/- 3.04   0.466% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 111  22.12 +/- 4.22   0.213% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  21.89 +/- 3.81   0.195% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.41 +/- 1.97   0.139% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.12 +/- 3.58   0.143% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.6:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.32 +/- 0.13  86.700% * 98.3525% (1.00  10.0 10.00   4.97 314.61) =  99.985%  kept
          HG3   PRO   93 - QE    LYS+ 111   9.58 +/- 3.19   7.932% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HB3   MET   92 - QE    LYS+ 111   9.96 +/- 2.58   2.957% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - QE    LYS+ 111  19.95 +/- 1.80   0.153% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    LYS+ 111  11.96 +/- 1.81   0.881% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QE    LYS+ 111  19.32 +/- 5.12   0.437% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.37 +/- 1.83   0.204% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  24.77 +/- 2.44   0.082% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.98 +/- 1.82   0.225% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.47 +/- 1.88   0.188% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.27 +/- 3.34   0.241% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.6:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.43 +/- 0.13  95.361% * 98.5544% (1.00  10.0 10.00   4.97 314.61) =  99.995%  kept
          QB    ALA   57 - QE    LYS+ 111  11.38 +/- 2.27   2.335% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - QE    LYS+ 111  24.29 +/- 2.36   0.116% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+ 111  19.30 +/- 3.73   0.881% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.37 +/- 1.83   0.280% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+ 111  18.83 +/- 1.61   0.221% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  15.59 +/- 2.24   0.434% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.27 +/- 3.34   0.372% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 5.99, residual support = 237.4:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.84 +/- 0.14  79.920% * 96.9064% (1.00  10.0 10.00   6.00 237.63) =  99.922%  kept
          HB3   LEU   73 - HA    LYS+ 112  16.42 +/- 5.92   2.962% *  1.5665% (0.98   1.0  1.00   0.33   0.02) =   0.060%
        T HB    VAL   42 - HA    LYS+ 112  14.48 +/- 2.16   0.761% *  0.9167% (0.95   1.0 10.00   0.02   0.02) =   0.009%
          HB3   PRO   93 - HA    LYS+ 112   7.89 +/- 2.45  10.010% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HA    LYS+ 112  14.10 +/- 1.10   0.760% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  15.80 +/- 1.94   0.621% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  10.79 +/- 3.00   2.767% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 112  16.14 +/- 2.32   0.563% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  23.53 +/- 1.44   0.151% *  0.0960% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  16.43 +/- 1.11   0.445% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  24.97 +/- 2.31   0.130% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.69 +/- 1.55   0.444% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  18.98 +/- 2.02   0.305% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  25.51 +/- 4.44   0.162% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.6:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.36 +/- 0.43  91.631% * 99.8441% (1.00  10.0 10.00   6.08 237.63) =  99.993%  kept
          QG1   VAL   42 - HA    LYS+ 112  10.43 +/- 1.75   4.530% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   47 - HA    LYS+ 112  11.76 +/- 1.62   3.838% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.6:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.75 +/- 0.58  93.618% * 99.8009% (1.00  10.0 10.00   5.76 237.63) =  99.996%  kept
          HG    LEU   63 - HA    LYS+ 112  12.01 +/- 2.21   2.296% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    LYS+ 112   9.74 +/- 0.59   2.750% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HA    LYS+ 112  19.59 +/- 3.88   0.799% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    LYS+ 112  16.66 +/- 1.49   0.538% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.854, support = 6.1, residual support = 236.1:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.63 +/- 0.29  61.550% * 40.8077% (0.76  10.0 10.00   6.48 237.63) =  59.984%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.97 +/- 0.95  30.808% * 53.3973% (1.00   1.0 10.00   5.53 237.63) =  39.287%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.38 +/- 0.75   5.353% *  5.6828% (0.38   1.0  1.00   5.67  28.51) =   0.727%  kept
          QG2   THR   94 - HA    LYS+ 112   9.37 +/- 0.97   1.710% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 112  19.15 +/- 4.03   0.301% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  16.98 +/- 2.18   0.279% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 237.6:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.84 +/- 0.14  87.714% * 98.8850% (1.00  10.0 10.00   6.00 237.63) =  99.983%  kept
        T HA    LYS+ 112 - HB    VAL   42  14.48 +/- 2.16   0.838% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.008%
          HB2   HIS  122 - HB    VAL   42  11.12 +/- 5.25   5.465% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB    THR   46 - HB2   LYS+ 112  12.79 +/- 3.27   4.468% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   46 - HB    VAL   42  13.14 +/- 1.66   1.053% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  16.63 +/- 1.13   0.463% *  0.0887% (0.90   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 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 5.5, residual support = 154.4:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  63.703% * 40.6012% (0.70  10.0 10.00   4.54  89.89) =  56.306%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.65 +/- 0.27  34.798% * 57.6594% (1.00  10.0 10.00   6.74 237.63) =  43.680%  kept
        T QB    ALA   47 - HB2   LYS+ 112  12.13 +/- 2.05   0.601% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   42 - HB2   LYS+ 112  12.21 +/- 2.10   0.464% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+ 112 - HB    VAL   42  15.97 +/- 2.75   0.220% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   47 - HB    VAL   42  14.48 +/- 1.16   0.214% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.6:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.81 +/- 0.23  85.303% * 98.8037% (1.00  10.0 10.00   5.76 237.63) =  99.985%  kept
        T HG3   LYS+ 112 - HB    VAL   42  15.43 +/- 2.75   0.763% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   63 - HB    VAL   42   8.64 +/- 2.02   4.920% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   24 - HB    VAL   42  12.66 +/- 1.99   1.438% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HB2   LYS+ 112  13.51 +/- 1.75   0.940% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42  10.02 +/- 1.92   3.044% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  11.37 +/- 0.67   1.380% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   LYS+ 112  20.89 +/- 4.30   0.674% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.11 +/- 1.20   1.205% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.94 +/- 1.55   0.334% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.813, support = 6.93, residual support = 235.6:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  70.857% * 39.6650% (0.76  10.0 10.00   7.17 237.63) =  78.321%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.43 +/- 0.60  14.362% * 51.9021% (1.00  10.0 10.00   6.23 237.63) =  20.773%  kept
          HB3   LEU   71 - HB    VAL   42   6.52 +/- 2.64  11.472% *  2.0079% (0.84   1.0  1.00   0.93   1.97) =   0.642%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   6.77 +/- 0.96   1.703% *  5.4791% (0.38   1.0  1.00   5.63  28.51) =   0.260%  kept
        T HD2   LYS+ 112 - HB    VAL   42  16.31 +/- 3.42   0.164% *  0.4375% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 112 - HB    VAL   42  16.25 +/- 2.42   0.110% *  0.3344% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.08 +/- 1.11   0.653% *  0.0350% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  11.19 +/- 1.22   0.340% *  0.0416% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  21.11 +/- 4.40   0.064% *  0.0514% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  18.26 +/- 3.27   0.114% *  0.0135% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  18.07 +/- 2.77   0.084% *  0.0160% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  17.92 +/- 2.24   0.079% *  0.0164% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.6:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.36 +/- 0.43  80.536% * 99.8459% (1.00  10.0 10.00   6.08 237.63) =  99.984%  kept
          HB    THR   46 - HG2   LYS+ 112  11.98 +/- 4.28  18.737% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          HB2   HIS  122 - HG2   LYS+ 112  16.71 +/- 1.50   0.727% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 237.6:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.65 +/- 0.27  83.116% * 98.3538% (1.00  10.0 10.00   6.74 237.63) =  99.982%  kept
        T HB    VAL   42 - HG2   LYS+ 112  15.97 +/- 2.75   0.605% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PRO   93 - HG2   LYS+ 112   9.00 +/- 3.05   7.994% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   73 - HG2   LYS+ 112  17.33 +/- 7.05   3.222% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HG2   LYS+ 112  15.81 +/- 2.57   0.691% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.55 +/- 1.54   0.435% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+ 112  11.95 +/- 3.62   2.062% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  16.62 +/- 3.00   0.636% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  25.74 +/- 1.99   0.107% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  26.47 +/- 3.34   0.106% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.25 +/- 1.96   0.321% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.85 +/- 1.81   0.338% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  26.04 +/- 5.15   0.148% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.03 +/- 2.76   0.218% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.6:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.126% * 99.8009% (1.00  10.0 10.00   6.98 237.63) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.22 +/- 1.99   0.294% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.74 +/- 0.99   0.363% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  20.74 +/- 4.09   0.129% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.87 +/- 1.80   0.088% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 6.77, residual support = 237.0:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.69 +/- 0.30  44.807% * 53.0095% (1.00  10.0 10.00   6.56 237.63) =  53.101%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.54 +/- 0.22  51.465% * 40.5114% (0.76  10.0 10.00   7.00 237.63) =  46.611%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.97 +/- 0.89   2.011% *  6.3678% (0.38   1.0  1.00   6.40  28.51) =   0.286%  kept
          QG2   THR   94 - HG2   LYS+ 112  11.08 +/- 1.84   1.373% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   LYS+ 112  20.48 +/- 4.43   0.171% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  17.75 +/- 2.33   0.173% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.6:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.75 +/- 0.58  86.200% * 99.8459% (1.00  10.0 10.00   5.76 237.63) =  99.989%  kept
          HB    THR   46 - HG3   LYS+ 112  11.62 +/- 4.27  13.264% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.010%
          HB2   HIS  122 - HG3   LYS+ 112  16.48 +/- 1.22   0.536% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.6:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.81 +/- 0.23  74.744% * 98.3538% (1.00  10.0 10.00   5.76 237.63) =  99.973%  kept
        T HB    VAL   42 - HG3   LYS+ 112  15.43 +/- 2.75   0.659% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HG3   LYS+ 112   8.29 +/- 3.14  11.958% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU   73 - HG3   LYS+ 112  16.89 +/- 7.24   5.540% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HG3   LYS+ 112  16.12 +/- 2.42   0.799% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 112  11.37 +/- 3.79   3.636% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 112  15.62 +/- 1.46   0.509% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 112  16.11 +/- 3.03   0.707% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  24.94 +/- 1.92   0.118% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  25.99 +/- 3.29   0.128% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.78 +/- 1.98   0.425% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  17.56 +/- 1.89   0.361% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  26.00 +/- 4.80   0.178% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  20.26 +/- 2.48   0.237% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.6:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  97.807% * 99.8441% (1.00  10.0 10.00   6.98 237.63) =  99.998%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.35 +/- 2.94   1.596% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  11.22 +/- 2.18   0.597% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.911, support = 6.11, residual support = 236.9:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.53 +/- 0.21  54.310% * 53.1844% (1.00  10.0 10.00   5.58 237.63) =  63.035%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.80 +/- 0.26  41.273% * 40.6450% (0.76  10.0  1.00   7.02 237.63) =  36.609%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.23 +/- 0.97   2.679% *  6.0589% (0.38   1.0  1.00   6.07  28.51) =   0.354%  kept
          QG2   THR   94 - HG3   LYS+ 112  10.30 +/- 1.77   1.287% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   LYS+ 112  20.09 +/- 4.80   0.220% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  17.01 +/- 2.50   0.230% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 237.6:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.97 +/- 0.95  83.110% * 99.8459% (1.00 10.00   5.53 237.63) =  99.986%  kept
          HB    THR   46 - HD2   LYS+ 112  12.30 +/- 4.55  15.485% *  0.0646% (0.65  1.00   0.02   0.02) =   0.012%
          HB2   HIS  122 - HD2   LYS+ 112  17.18 +/- 2.05   1.406% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.09 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.22, residual support = 237.5:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.43 +/- 0.60  59.288% * 98.3538% (1.00  10.0 10.00   6.23 237.63) =  99.949%  kept
        T HB    VAL   42 - HD2   LYS+ 112  16.31 +/- 3.42   0.960% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HB3   PRO   93 - HD2   LYS+ 112   8.96 +/- 3.63  17.938% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.015%
          HB3   LEU   73 - HD2   LYS+ 112  17.67 +/- 7.44   7.303% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.012%
          HG3   LYS+  65 - HD2   LYS+ 112  16.48 +/- 3.08   2.066% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HD2   LYS+ 112  12.18 +/- 4.45   8.636% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.62 +/- 2.21   0.684% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 112  16.57 +/- 3.52   1.077% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HD2   LYS+ 112  26.79 +/- 4.15   0.187% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  25.88 +/- 2.57   0.167% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  18.42 +/- 2.73   0.518% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  18.28 +/- 2.25   0.557% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  26.61 +/- 5.24   0.257% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  21.19 +/- 3.25   0.364% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 237.6:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.69 +/- 0.30  94.489% * 99.8441% (1.00  10.0 10.00   6.56 237.63) =  99.995%  kept
          QG1   VAL   42 - HD2   LYS+ 112  11.93 +/- 2.79   2.992% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   47 - HD2   LYS+ 112  11.79 +/- 3.01   2.519% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 237.6:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.53 +/- 0.21  97.071% * 99.8009% (1.00  10.0 10.00   5.58 237.63) =  99.998%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.66 +/- 2.57   0.801% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HD2   LYS+ 112  11.65 +/- 1.67   1.302% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  20.84 +/- 4.71   0.549% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.01 +/- 2.62   0.277% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T QB    ASP- 113 - HA    ASP- 113   2.42 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.43) = 100.000%  kept
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T HA    ASP- 113 - QB    ASP- 113   2.42 +/- 0.13  94.914% * 99.1713% (1.00  10.0 10.00   2.00  14.43) =  99.987%  kept
        T HA    PHE   59 - QB    ASP- 113  10.72 +/- 1.49   1.898% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          HA    ILE   56 - QB    ASP- 113   9.36 +/- 1.97   2.514% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QB    ASP- 113  15.23 +/- 0.90   0.399% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.50 +/- 1.80   0.180% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  25.54 +/- 3.08   0.095% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.879, support = 3.78, residual support = 51.5:
    * O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.14  49.210% * 56.5460% (0.97  10.0 10.00   3.52  44.07) =  87.452%  kept
        T QB    GLU- 114 - HA    LEU  115   4.38 +/- 0.38   7.733% * 26.0231% (0.44   1.0 10.00   5.22  21.40) =   6.325%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.71 +/- 0.23  30.283% *  5.3364% (0.09  10.0 10.00   6.33 224.55) =   5.079%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.70 +/- 0.27   3.114% * 11.5954% (0.20   1.0 10.00   4.44  21.40) =   1.135%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.58 +/- 1.12   4.797% *  0.0425% (0.73   1.0  1.00   0.02   0.12) =   0.006%
          HB2   LYS+ 111 - HA    LEU  115   7.36 +/- 1.49   2.080% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU  115  19.06 +/- 3.62   0.262% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.86 +/- 2.29   1.006% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.60 +/- 4.12   0.087% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.10 +/- 3.33   0.091% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  28.12 +/- 5.71   0.081% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.06 +/- 1.84   0.333% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.42 +/- 2.93   0.178% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  25.10 +/- 4.96   0.151% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.67 +/- 3.79   0.052% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.83 +/- 2.15   0.045% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  21.13 +/- 3.89   0.089% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.34 +/- 2.86   0.070% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.89 +/- 2.25   0.068% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.64 +/- 2.43   0.125% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  23.76 +/- 3.90   0.058% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.34 +/- 3.12   0.087% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.849, support = 3.99, residual support = 37.8:
    * O T QG    GLU- 114 - HA    GLU- 114   3.05 +/- 0.30  52.654% * 68.1764% (1.00  10.0 10.00   3.64  44.07) =  72.425%  kept
        T QG    GLU- 114 - HA    LEU  115   3.84 +/- 1.21  43.558% * 31.3756% (0.46   1.0 10.00   4.91  21.40) =  27.573%  kept
          HG2   MET   92 - HA    GLU- 114  15.02 +/- 2.14   0.578% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  16.87 +/- 3.19   0.555% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  13.34 +/- 1.83   0.809% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    LEU  115  15.00 +/- 2.54   0.626% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  23.80 +/- 2.65   0.156% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  20.33 +/- 1.81   0.193% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  28.60 +/- 3.14   0.073% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  29.37 +/- 5.90   0.137% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  26.41 +/- 5.22   0.231% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  28.61 +/- 5.82   0.135% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  25.64 +/- 2.53   0.096% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  25.91 +/- 5.21   0.200% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.933, support = 3.7, residual support = 41.7:
    * O T HA    GLU- 114 - QB    GLU- 114   2.27 +/- 0.14  83.857% * 59.0968% (0.97  10.0 10.00   3.52  44.07) =  89.529%  kept
        T HA    LEU  115 - QB    GLU- 114   4.38 +/- 0.38  14.276% * 40.5940% (0.66   1.0 10.00   5.22  21.40) =  10.470%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.71 +/- 1.71   0.505% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    GLU- 114  12.03 +/- 1.99   0.842% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  20.34 +/- 1.75   0.135% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  23.51 +/- 3.84   0.121% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.23 +/- 3.46   0.149% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.36 +/- 2.03   0.115% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.89, residual support = 44.1:
    * O T QG    GLU- 114 - QB    GLU- 114   2.10 +/- 0.05  98.164% * 99.1187% (0.96  10.0 10.00   3.89  44.07) =  99.998%  kept
          HG2   MET   92 - QB    GLU- 114  11.71 +/- 2.17   0.799% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLU-  25 - QB    GLU- 114  26.02 +/- 4.81   0.107% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  13.95 +/- 3.06   0.635% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  20.17 +/- 2.61   0.141% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  25.74 +/- 2.43   0.059% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  25.93 +/- 4.86   0.094% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.885, support = 4.1, residual support = 35.9:
    * O T HA    GLU- 114 - QG    GLU- 114   3.05 +/- 0.30  52.819% * 59.1519% (1.00  10.0 10.00   3.64  44.07) =  63.769%  kept
        T HA    LEU  115 - QG    GLU- 114   3.84 +/- 1.21  43.687% * 40.6319% (0.69   1.0 10.00   4.91  21.40) =  36.230%  kept
          HA    CYS   53 - QG    GLU- 114  11.72 +/- 2.02   1.422% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.41 +/- 2.27   1.179% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  22.89 +/- 4.05   0.246% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.64 +/- 1.43   0.197% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  20.56 +/- 3.65   0.272% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  20.66 +/- 1.73   0.179% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.95, support = 3.87, residual support = 43.3:
    * O T QB    GLU- 114 - QG    GLU- 114   2.10 +/- 0.05  59.144% * 91.5464% (0.96  10.0 10.00   3.89  44.07) =  97.697%  kept
          HB2   LEU  115 - QG    GLU- 114   4.24 +/- 1.37  14.812% *  5.0302% (0.20   1.0  1.00   5.36  21.40) =   1.344%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.87 +/- 1.50  24.841% *  2.1314% (0.72   1.0  1.00   0.62   0.12) =   0.955%  kept
        T HB3   GLU-  25 - QG    GLU- 114  24.33 +/- 4.71   0.116% *  0.8973% (0.94   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - QG    GLU- 114  19.72 +/- 3.44   0.148% *  0.0876% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  17.87 +/- 3.02   0.137% *  0.0823% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  11.92 +/- 1.97   0.457% *  0.0211% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.96 +/- 3.90   0.083% *  0.0760% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  21.23 +/- 2.73   0.068% *  0.0760% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  18.94 +/- 2.71   0.103% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  20.48 +/- 3.23   0.091% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.639, support = 5.79, residual support = 185.6:
    * O T HB2   LEU  115 - HA    LEU  115   2.71 +/- 0.23  23.950% * 53.9731% (0.84  10.0 10.00   6.33 224.55) =  71.743%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.71 +/- 0.23  23.302% *  8.4138% (0.13  10.0  1.00   4.76 170.76) =  10.881%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.14  38.416% *  4.5579% (0.07  10.0 10.00   3.52  44.07) =   9.718%  kept
        T QB    GLU- 114 - HA    LEU  115   4.38 +/- 0.38   6.088% * 16.6586% (0.26   1.0 10.00   5.22  21.40) =   5.629%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.70 +/- 0.27   2.435% * 14.7673% (0.23   1.0 10.00   4.44  21.40) =   1.996%  kept
        T HB2   LEU  115 - HA    ARG+  54  11.56 +/- 1.60   0.358% *  1.2051% (0.47   1.0 10.00   0.08   0.02) =   0.024%
          HG3   PRO   58 - HA    ARG+  54   7.95 +/- 2.27   2.471% *  0.0302% (0.47   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - HA    LEU  115  10.86 +/- 2.29   0.814% *  0.0539% (0.83   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU- 114 - HA    ARG+  54  13.71 +/- 1.71   0.232% *  0.0934% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LEU  115  14.67 +/- 2.18   0.199% *  0.0432% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.06 +/- 3.62   0.209% *  0.0203% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.06 +/- 1.84   0.264% *  0.0147% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  16.45 +/- 3.08   0.148% *  0.0242% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.42 +/- 2.93   0.141% *  0.0242% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  18.13 +/- 4.29   0.117% *  0.0284% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.97 +/- 1.98   0.180% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  18.90 +/- 3.54   0.120% *  0.0136% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  21.26 +/- 5.77   0.090% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  18.74 +/- 2.04   0.080% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  22.48 +/- 3.63   0.050% *  0.0114% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.94 +/- 2.26   0.126% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  21.65 +/- 4.22   0.066% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.10 +/- 3.33   0.072% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.60 +/- 4.12   0.069% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.496, support = 6.34, residual support = 219.2:
    * O T HG    LEU  115 - HA    LEU  115   3.50 +/- 0.47  22.869% * 56.2178% (0.72  10.0 10.00   6.20 224.55) =  51.678%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.37 +/- 0.22  56.815% * 20.0033% (0.26  10.0 10.00   6.63 224.55) =  45.683%  kept
        T HG    LEU  115 - HA    GLU- 114   6.77 +/- 0.80   2.993% * 15.3815% (0.20   1.0 10.00   3.96  21.40) =   1.850%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.25 +/- 0.35   3.369% *  5.4730% (0.07   1.0 10.00   3.83  21.40) =   0.741%  kept
        T HB3   LEU   40 - HA    LEU  115  15.48 +/- 2.86   0.376% *  0.6424% (0.83   1.0 10.00   0.02   0.02) =   0.010%
        T HG    LEU  115 - HA    ARG+  54  11.31 +/- 1.62   0.668% *  0.3152% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   67 - HA    LEU  115  15.45 +/- 2.57   0.618% *  0.2664% (0.34   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA  120 - HA    LEU  115   7.53 +/- 0.51   1.918% *  0.0562% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU  115 - HA    ARG+  54  11.69 +/- 1.88   0.608% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    LEU  115  14.69 +/- 2.26   0.316% *  0.2000% (0.26   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   THR   26 - HA    LEU  115  18.23 +/- 3.41   0.264% *  0.2211% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - HA    ARG+  54  17.47 +/- 3.55   0.255% *  0.1494% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   40 - HA    ARG+  54  21.73 +/- 3.46   0.104% *  0.3602% (0.46   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LEU  115  16.00 +/- 3.54   0.812% *  0.0393% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU- 114   7.57 +/- 0.71   1.945% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  19.10 +/- 2.92   0.155% *  0.1758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   8.76 +/- 1.62   1.646% *  0.0144% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    ARG+  54  15.65 +/- 3.39   0.677% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  21.23 +/- 2.82   0.100% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  20.96 +/- 4.09   0.165% *  0.0605% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  13.64 +/- 3.08   0.859% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  18.24 +/- 2.29   0.149% *  0.0547% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  15.79 +/- 1.70   0.212% *  0.0315% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  10.12 +/- 1.99   1.198% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.95 +/- 1.75   0.212% *  0.0180% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.13 +/- 4.01   0.208% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  21.08 +/- 3.43   0.106% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  19.52 +/- 2.57   0.163% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.09 +/- 2.49   0.112% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.73 +/- 1.98   0.111% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.796, support = 6.17, residual support = 210.5:
    *   T QD1   LEU  115 - HA    LEU  115   3.73 +/- 0.52  64.631% * 76.0033% (0.84 10.00   6.33 224.55) =  93.180%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.32 +/- 0.73  15.491% * 20.7949% (0.23 10.00   4.39  21.40) =   6.111%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.78 +/- 1.59  12.056% *  3.0699% (0.47 10.00   0.14   0.02) =   0.702%  kept
          QG1   VAL   75 - HA    LEU  115  11.46 +/- 1.07   2.648% *  0.0719% (0.79  1.00   0.02   0.02) =   0.004%
          QG1   VAL   75 - HA    ARG+  54  12.14 +/- 2.72   3.925% *  0.0403% (0.44  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    GLU- 114  14.64 +/- 1.42   1.249% *  0.0197% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.771, support = 7.27, residual support = 212.1:
    *   T QD2   LEU  115 - HA    LEU  115   3.18 +/- 0.49  51.105% * 74.1348% (0.81 10.00   7.47 224.55) =  93.937%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.80 +/- 0.65  11.179% * 20.2837% (0.22 10.00   4.41  21.40) =   5.622%  kept
        T QD2   LEU  115 - HA    ARG+  54   9.52 +/- 1.72   3.038% *  4.7417% (0.45 10.00   0.23   0.02) =   0.357%  kept
          QD1   LEU   63 - HA    LEU  115   7.72 +/- 2.32   7.803% *  0.3086% (0.79  1.00   0.08   0.02) =   0.060%
          QD1   LEU   73 - HA    ARG+  54  15.26 +/- 5.39   6.533% *  0.0407% (0.44  1.00   0.02   0.02) =   0.007%
          QD1   LEU   73 - HA    LEU  115  13.12 +/- 4.44   3.253% *  0.0727% (0.79  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HA    LEU  115   9.02 +/- 1.88   3.921% *  0.0288% (0.31  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HA    LEU  115  11.97 +/- 1.82   1.483% *  0.0587% (0.64  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    ARG+  54  11.58 +/- 1.71   2.003% *  0.0407% (0.44  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    GLU- 114  11.06 +/- 2.08   1.800% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  17.96 +/- 2.96   0.440% *  0.0727% (0.79  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  16.78 +/- 2.35   0.610% *  0.0407% (0.44  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    ARG+  54  12.45 +/- 1.66   1.250% *  0.0162% (0.18  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  16.19 +/- 4.74   0.929% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.65 +/- 2.22   1.092% *  0.0161% (0.17  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  16.75 +/- 3.18   0.621% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.21 +/- 2.87   0.382% *  0.0329% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  12.28 +/- 1.85   1.248% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  16.59 +/- 3.21   0.638% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.81 +/- 3.26   0.284% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.31 +/- 3.27   0.389% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.812, support = 6.24, residual support = 215.2:
    * O T HA    LEU  115 - HB2   LEU  115   2.71 +/- 0.23  86.784% * 70.2377% (0.84  10.0 10.00   6.33 224.55) =  95.400%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.70 +/- 0.27  10.204% * 28.6837% (0.34   1.0 10.00   4.44  21.40) =   4.581%  kept
        T HA    ARG+  54 - HB2   LEU  115  11.56 +/- 1.60   1.501% *  0.7762% (0.92   1.0 10.00   0.02   0.02) =   0.018%
          HA    ASN   28 - HB2   LEU  115  21.68 +/- 3.54   0.410% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.60 +/- 1.62   0.381% *  0.0702% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  21.76 +/- 1.62   0.185% *  0.0578% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  20.26 +/- 2.72   0.279% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.72 +/- 1.54   0.158% *  0.0409% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  26.79 +/- 1.92   0.099% *  0.0260% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.57, support = 6.21, residual support = 224.5:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  74.321% * 25.8976% (0.31  10.0 10.00   6.31 224.55) =  53.259%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.67 +/- 0.28  23.205% * 72.7830% (0.87  10.0 10.00   6.10 224.55) =  46.734%  kept
        T HB3   LEU   40 - HB2   LEU  115  16.64 +/- 2.93   0.127% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - HB2   LEU  115   8.88 +/- 0.75   0.621% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   LEU  115  15.51 +/- 4.12   0.714% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  15.89 +/- 2.48   0.126% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU  115  15.84 +/- 2.67   0.275% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.10 +/- 1.55   0.353% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.41 +/- 2.20   0.153% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  18.75 +/- 3.35   0.106% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 224.5:
    * O T QD1   LEU  115 - HB2   LEU  115   2.43 +/- 0.29  98.509% * 99.9055% (1.00  10.0 10.00   6.11 224.55) =  99.999%  kept
          QG1   VAL   75 - HB2   LEU  115  11.03 +/- 1.71   1.491% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 7.26, residual support = 224.4:
    * O T QD2   LEU  115 - HB2   LEU  115   2.82 +/- 0.42  74.932% * 99.2434% (0.97  10.0 10.00   7.26 224.55) =  99.938%  kept
          QD1   LEU   63 - HB2   LEU  115   8.15 +/- 2.38   7.714% *  0.4131% (0.95   1.0  1.00   0.08   0.02) =   0.043%
          QD1   LEU   73 - HB2   LEU  115  13.09 +/- 5.11  12.379% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.016%
          QD2   LEU   63 - HB2   LEU  115   9.51 +/- 1.68   2.956% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   LEU  115  13.58 +/- 1.61   0.855% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  17.39 +/- 2.81   0.490% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  16.23 +/- 2.89   0.675% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.693, support = 6.03, residual support = 209.7:
    * O T HA    LEU  115 - HG    LEU  115   3.50 +/- 0.47  57.897% * 69.5173% (0.72  10.0 10.00   6.20 224.55) =  92.698%  kept
        T HA    GLU- 114 - HG    LEU  115   6.77 +/- 0.80  10.881% * 28.3895% (0.30   1.0 10.00   3.96  21.40) =   7.115%  kept
          HA    ALA   34 - HG    LEU   40   7.56 +/- 2.09  15.131% *  0.3499% (0.20   1.0  1.00   0.36   0.55) =   0.122%  kept
        T HA    ARG+  54 - HG    LEU  115  11.31 +/- 1.62   2.868% *  0.7683% (0.80   1.0 10.00   0.02   0.02) =   0.051%
        T HA    LEU  115 - HG    LEU   40  14.69 +/- 2.26   0.988% *  0.2361% (0.25   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ARG+  54 - HG    LEU   40  21.23 +/- 2.82   0.302% *  0.2609% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASN   28 - HG    LEU   40  12.47 +/- 2.50   2.385% *  0.0245% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  21.45 +/- 4.17   0.746% *  0.0722% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  15.93 +/- 6.63   2.242% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 114 - HG    LEU   40  18.24 +/- 2.29   0.499% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  16.68 +/- 1.91   0.599% *  0.0695% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  12.79 +/- 2.54   1.693% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - HG    LEU   40  12.13 +/- 2.15   2.447% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  21.24 +/- 2.34   0.281% *  0.0572% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  20.93 +/- 3.15   0.413% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.81 +/- 2.07   0.227% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  26.26 +/- 2.58   0.147% *  0.0257% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  23.19 +/- 2.85   0.253% *  0.0116% (0.12   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 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.862, support = 6.08, residual support = 222.8:
    * O T HB2   LEU  115 - HG    LEU  115   2.67 +/- 0.28  71.211% * 92.1437% (0.87  10.0 10.00   6.10 224.55) =  99.135%  kept
          QB    GLU- 114 - HG    LEU  115   6.21 +/- 0.94   8.806% *  6.2211% (0.27   1.0  1.00   4.37  21.40) =   0.828%  kept
        T HB2   LEU   67 - HG    LEU   40   8.84 +/- 1.87   3.771% *  0.2506% (0.24   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   LEU   67 - HG    LEU  115  14.05 +/- 2.69   0.899% *  0.7378% (0.69   1.0 10.00   0.02   0.02) =   0.010%
          HG3   PRO   58 - HG    LEU  115   8.60 +/- 2.63   5.893% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   LEU  115 - HG    LEU   40  15.89 +/- 2.48   0.445% *  0.3130% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   18 - HG    LEU   40  12.97 +/- 5.08   2.091% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG    LEU   40  10.19 +/- 1.94   2.099% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  17.81 +/- 4.21   0.574% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.01 +/- 3.78   0.773% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.94 +/- 1.72   0.768% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.45 +/- 3.13   1.531% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  15.77 +/- 2.45   0.434% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  19.26 +/- 1.75   0.220% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  16.38 +/- 1.69   0.344% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  23.14 +/- 3.14   0.140% *  0.0087% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.99, residual support = 224.5:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  97.606% * 99.5358% (0.87  10.0 10.00   5.99 224.55) =  99.997%  kept
        T QD1   LEU  115 - HG    LEU   40  13.08 +/- 2.36   0.684% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HG    LEU  115  11.27 +/- 1.76   0.869% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  11.26 +/- 1.52   0.841% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.07, residual support = 224.4:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.01  73.109% * 98.7627% (0.84  10.0 10.00   7.08 224.55) =  99.931%  kept
          QD1   LEU   63 - HG    LEU  115   7.53 +/- 2.59   9.742% *  0.4111% (0.82   1.0  1.00   0.08   0.02) =   0.055%
          QD1   LEU   73 - HG    LEU  115  13.17 +/- 5.01   3.661% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  115 - HG    LEU   40  12.49 +/- 2.71   0.638% *  0.3354% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HG    LEU   40   7.86 +/- 2.03   3.673% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU   40   7.93 +/- 1.69   2.321% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   8.78 +/- 1.75   1.647% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.14 +/- 1.91   1.571% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG    LEU  115  13.42 +/- 2.17   0.451% *  0.0782% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.60 +/- 1.65   2.338% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  17.68 +/- 2.72   0.169% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  16.78 +/- 4.00   0.251% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  16.71 +/- 2.81   0.204% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  16.90 +/- 3.40   0.225% *  0.0107% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 6.08, residual support = 203.7:
    *   T HA    LEU  115 - QD1   LEU  115   3.73 +/- 0.52  65.718% * 67.0105% (0.84 10.00   6.33 224.55) =  89.854%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.32 +/- 0.73  15.760% * 27.3658% (0.34 10.00   4.39  21.40) =   8.800%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.78 +/- 1.59  12.298% *  5.3351% (0.92 10.00   0.14   0.02) =   1.339%  kept
          HA    ASN   28 - QD1   LEU  115  18.18 +/- 3.12   2.141% *  0.0696% (0.87  1.00   0.02   0.02) =   0.003%
          HA    ALA  124 - QD1   LEU  115  14.70 +/- 1.78   1.391% *  0.0670% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QD1   LEU  115  18.03 +/- 1.75   0.701% *  0.0551% (0.69  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  16.93 +/- 2.50   1.038% *  0.0330% (0.41  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  19.34 +/- 1.72   0.587% *  0.0391% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  22.24 +/- 2.12   0.366% *  0.0248% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 6.07, residual support = 221.6:
    * O T HB2   LEU  115 - QD1   LEU  115   2.43 +/- 0.29  71.471% * 90.2078% (1.00  10.0 10.00   6.11 224.55) =  98.608%  kept
          QB    GLU- 114 - QD1   LEU  115   5.61 +/- 0.85   8.023% *  7.0181% (0.31   1.0  1.00   5.04  21.40) =   0.861%  kept
          HG3   PRO   58 - QD1   LEU  115   6.82 +/- 2.59  13.433% *  2.5550% (1.00   1.0  1.00   0.57   0.02) =   0.525%  kept
          HB2   LEU   67 - QD1   LEU  115  11.55 +/- 2.08   2.643% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   18 - QD1   LEU  115  15.21 +/- 3.92   1.405% *  0.0475% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  13.05 +/- 2.29   1.129% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115  10.14 +/- 1.60   1.492% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD1   LEU  115  16.17 +/- 2.79   0.404% *  0.0339% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 6.07, residual support = 224.5:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  56.050% * 72.7830% (0.87  10.0 10.00   5.99 224.55) =  81.300%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.52 +/- 0.36  36.203% * 25.8976% (0.31  10.0 10.00   6.42 224.55) =  18.685%  kept
        T HB3   LEU   40 - QD1   LEU  115  13.65 +/- 2.69   0.412% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA  120 - QD1   LEU  115   7.73 +/- 1.10   1.472% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - QD1   LEU  115  12.25 +/- 2.74   2.819% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - QD1   LEU  115  13.08 +/- 2.36   0.373% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD1   LEU  115  12.43 +/- 3.79   1.226% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD1   LEU  115  11.58 +/- 1.81   0.556% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.94 +/- 1.39   0.673% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.54 +/- 2.79   0.216% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 7.23, residual support = 224.3:
    * O T QD2   LEU  115 - QD1   LEU  115   2.05 +/- 0.05  68.697% * 99.2434% (0.97  10.0 10.00   7.24 224.55) =  99.905%  kept
          QD1   LEU   63 - QD1   LEU  115   6.41 +/- 2.01  11.419% *  0.4131% (0.95   1.0  1.00   0.08   0.02) =   0.069%
          QD1   LEU   73 - QD1   LEU  115  10.82 +/- 4.60  16.544% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.024%
          QD2   LEU   63 - QD1   LEU  115   7.40 +/- 1.29   2.232% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD1   LEU  115  11.74 +/- 1.58   0.460% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD1   LEU  115  14.40 +/- 2.34   0.291% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  13.67 +/- 2.61   0.357% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.768, support = 7.17, residual support = 206.5:
    *   T HA    LEU  115 - QD2   LEU  115   3.18 +/- 0.49  74.227% * 64.9874% (0.81 10.00   7.47 224.55) =  91.177%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.80 +/- 0.65  16.167% * 26.5396% (0.33 10.00   4.41  21.40) =   8.110%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.52 +/- 1.72   4.573% *  8.1932% (0.89 10.00   0.23   0.02) =   0.708%  kept
          HA    ASN   28 - QD2   LEU  115  17.68 +/- 3.27   1.641% *  0.0675% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD2   LEU  115  13.26 +/- 1.85   1.665% *  0.0650% (0.81  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QD2   LEU  115  17.47 +/- 2.19   0.514% *  0.0534% (0.66  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD2   LEU  115  17.85 +/- 2.57   0.565% *  0.0320% (0.40  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.04 +/- 1.93   0.375% *  0.0379% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  21.61 +/- 2.38   0.273% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.957, support = 7.2, residual support = 220.9:
    * O T HB2   LEU  115 - QD2   LEU  115   2.82 +/- 0.42  67.822% * 90.4686% (0.97  10.0 10.00   7.26 224.55) =  98.246%  kept
          QB    GLU- 114 - QD2   LEU  115   5.56 +/- 0.51  11.152% *  6.9561% (0.30   1.0  1.00   4.98  21.40) =   1.242%  kept
          HG3   PRO   58 - QD2   LEU  115   7.09 +/- 2.51  13.412% *  2.3556% (0.96   1.0  1.00   0.52   0.02) =   0.506%  kept
          HB2   LEU   67 - QD2   LEU  115  11.48 +/- 1.99   2.766% *  0.0724% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QD2   LEU  115  12.77 +/- 2.42   1.285% *  0.0406% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD2   LEU  115  10.88 +/- 1.86   1.930% *  0.0252% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  14.70 +/- 3.35   0.702% *  0.0476% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD2   LEU  115  15.65 +/- 3.01   0.931% *  0.0340% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.748, support = 7.14, residual support = 224.0:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.01  58.728% * 69.8026% (0.84  10.0 10.00   7.08 224.55) =  83.220%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.68 +/- 0.41  32.761% * 24.8371% (0.30  10.0 10.00   7.55 224.55) =  16.519%  kept
          QB    ALA  120 - QD2   LEU  115   6.52 +/- 1.12   2.877% *  4.1647% (0.84   1.0  1.00   1.19   0.02) =   0.243%  kept
        T HB3   LEU   40 - QD2   LEU  115  13.13 +/- 3.19   0.774% *  0.7976% (0.96   1.0 10.00   0.02   0.02) =   0.013%
        T HG    LEU   40 - QD2   LEU  115  12.49 +/- 2.71   0.508% *  0.2484% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QD2   LEU  115  12.23 +/- 2.45   1.518% *  0.0331% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU  115  12.65 +/- 3.30   0.759% *  0.0488% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   8.70 +/- 1.72   1.302% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.78 +/- 1.61   0.519% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  15.16 +/- 2.85   0.254% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 224.5:
    * O T QD1   LEU  115 - QD2   LEU  115   2.05 +/- 0.05  98.748% * 99.9055% (0.97  10.0 10.00   7.24 224.55) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115   9.59 +/- 1.37   1.252% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 119.7:
    * O T HB2   GLN  116 - HA    GLN  116   2.83 +/- 0.15  90.974% * 98.6426% (1.00  10.0 10.00   5.15 119.68) =  99.991%  kept
          HB2   PRO   58 - HA    GLN  116   8.53 +/- 1.77   6.722% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU- 100 - HA    GLN  116  22.91 +/- 2.35   0.203% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  12.40 +/- 2.39   1.565% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLN   32 - HA    GLN  116  22.52 +/- 3.41   0.285% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN  116  20.91 +/- 1.92   0.252% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 119.7:
    * O T HG2   GLN  116 - HA    GLN  116   2.75 +/- 0.64  95.353% * 99.8732% (1.00  10.0 10.00   5.16 119.68) =  99.996%  kept
          HB3   PHE   95 - HA    GLN  116   9.05 +/- 1.38   3.866% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  25 - HA    GLN  116  26.33 +/- 5.79   0.781% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 119.7:
    * O T HA    GLN  116 - HB2   GLN  116   2.83 +/- 0.15  97.716% * 98.1197% (1.00  10.0 10.00   5.15 119.68) =  99.996%  kept
        T HA    GLU-  29 - HB2   GLN  116  25.99 +/- 3.89   0.186% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   GLN  116  26.42 +/- 2.99   0.152% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  17.37 +/- 3.19   0.644% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLN  116  20.29 +/- 3.95   0.352% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  20.12 +/- 3.50   0.411% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  24.62 +/- 2.61   0.186% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  27.46 +/- 3.59   0.131% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  22.84 +/- 3.93   0.222% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 119.7:
    * O T HG2   GLN  116 - HB2   GLN  116   2.72 +/- 0.18  97.924% * 99.8732% (1.00  10.0 10.00   5.69 119.68) =  99.998%  kept
          HB3   PHE   95 - HB2   GLN  116  10.61 +/- 0.93   1.845% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HB2   GLN  116  28.02 +/- 5.89   0.231% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 119.7:
    * O T HA    GLN  116 - HG2   GLN  116   2.75 +/- 0.64  97.289% * 99.5202% (1.00  10.0 10.00   5.16 119.68) =  99.998%  kept
          HA    VAL   70 - HG2   GLN  116  16.88 +/- 3.65   0.689% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  19.77 +/- 4.01   0.505% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  25.72 +/- 3.96   0.285% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  26.09 +/- 2.92   0.162% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  20.29 +/- 3.32   0.441% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  24.31 +/- 2.99   0.186% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  27.70 +/- 3.57   0.134% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.23 +/- 4.17   0.309% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 119.7:
    * O T HB2   GLN  116 - HG2   GLN  116   2.72 +/- 0.18  89.181% * 99.6852% (1.00  10.0 10.00   5.69 119.68) =  99.993%  kept
          HB2   PRO   58 - HG2   GLN  116   8.86 +/- 2.68   9.518% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PHE   97 - HG2   GLN  116  14.20 +/- 2.35   0.780% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  24.81 +/- 2.37   0.133% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  22.05 +/- 2.45   0.210% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  24.05 +/- 3.25   0.178% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 1.28, residual support = 15.4:
    * O T QB    SER  117 - HA    SER  117   2.45 +/- 0.10  85.181% * 93.1254% (1.00  10.0 10.00   1.28  15.43) =  99.566%  kept
          HA    ALA  120 - HA    SER  117   5.88 +/- 0.54   7.119% *  2.8714% (0.41   1.0  1.00   1.50   5.30) =   0.257%  kept
          HA    LYS+ 121 - HA    SER  117   6.87 +/- 1.35   6.059% *  2.2799% (0.84   1.0  1.00   0.59   0.02) =   0.173%  kept
        T HA2   GLY   51 - HA    SER  117  21.85 +/- 2.42   0.141% *  0.8352% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    SER  117  21.80 +/- 2.71   0.149% *  0.6024% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HA    SER  117  12.22 +/- 1.51   0.813% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER  117  16.31 +/- 1.05   0.311% *  0.0712% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  25.90 +/- 2.98   0.087% *  0.1437% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  22.49 +/- 3.29   0.139% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.28, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.45 +/- 0.10  82.215% * 99.1287% (1.00  10.0 10.00   1.28  15.43) =  99.995%  kept
        T HA1   GLY   51 - QB    SER   48   9.02 +/- 0.95   1.953% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    SER   48  12.44 +/- 3.92   6.036% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - QB    SER  117  21.75 +/- 5.56   0.546% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - QB    SER   48  15.78 +/- 5.27   2.858% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  21.80 +/- 2.71   0.143% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  20.34 +/- 6.52   1.680% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.93 +/- 1.42   0.549% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.48 +/- 2.25   0.200% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.34 +/- 4.53   1.187% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.84 +/- 1.30   0.671% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  25.90 +/- 2.98   0.084% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.28 +/- 5.46   1.202% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  23.47 +/- 5.51   0.423% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  22.65 +/- 7.18   0.253% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.74, residual support = 270.1:
    * O T HB    ILE  119 - HA    ILE  119   2.94 +/- 0.10  88.230% * 99.2403% (0.87  10.0 10.00   6.74 270.09) =  99.990%  kept
          HB2   GLN   30 - HA    ILE  119  16.89 +/- 4.59   2.053% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    ILE  119  18.03 +/- 4.74   1.690% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HA    ILE  119  13.79 +/- 3.85   1.686% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HA    ILE  119  13.39 +/- 1.52   1.049% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  15.26 +/- 2.47   0.741% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    ILE  119  17.26 +/- 3.81   0.897% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  20.29 +/- 4.35   0.355% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  23.60 +/- 5.97   1.250% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.01 +/- 2.04   1.012% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.38 +/- 1.47   0.479% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.40 +/- 2.90   0.560% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 7.24, residual support = 268.7:
    * O T QG2   ILE  119 - HA    ILE  119   2.67 +/- 0.23  72.041% * 97.7704% (1.00  10.0 10.00   7.28 270.09) =  99.493%  kept
          QD2   LEU   71 - HA    ILE  119  10.98 +/- 4.67  17.473% *  2.0368% (0.87   1.0  1.00   0.48   0.02) =   0.503%  kept
          QD1   ILE  103 - HA    ILE  119  13.45 +/- 4.10   1.456% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    ILE  119  10.09 +/- 4.09   4.864% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  119  10.20 +/- 2.21   2.167% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  12.23 +/- 3.31   1.396% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  119  15.47 +/- 3.06   0.602% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 270.1:
    * O T HG12  ILE  119 - HA    ILE  119   2.62 +/- 0.32  88.533% * 99.4466% (1.00  10.0 10.00   7.21 270.09) =  99.993%  kept
          HB3   PHE   72 - HA    ILE  119  11.49 +/- 3.69   3.595% *  0.0760% (0.76   1.0  1.00   0.02   0.24) =   0.003%
          HB2   ASP-  44 - HA    ILE  119  12.05 +/- 2.83   1.312% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ILE  119  10.72 +/- 3.73   2.295% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    ILE  119  19.02 +/- 3.47   0.839% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ILE  119  20.98 +/- 5.25   0.452% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  22.43 +/- 6.44   1.892% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.59 +/- 1.85   0.288% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  17.27 +/- 2.40   0.372% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  22.63 +/- 1.85   0.158% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  19.13 +/- 1.81   0.264% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 6.86, residual support = 268.9:
    * O T HG13  ILE  119 - HA    ILE  119   2.74 +/- 0.47  73.143% * 94.3474% (1.00  10.0 10.00   6.88 270.09) =  99.538%  kept
          HG2   LYS+ 121 - HA    ILE  119   7.11 +/- 0.30   5.489% *  4.7091% (0.31   1.0  1.00   3.23   6.81) =   0.373%  kept
          QG1   VAL  107 - HA    ILE  119   7.51 +/- 2.46   8.309% *  0.6816% (0.15   1.0  1.00   0.94   0.02) =   0.082%
          QG1   VAL   24 - HA    ILE  119  17.88 +/- 5.14   4.374% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HA    ILE  119  15.14 +/- 3.61   1.886% *  0.0648% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HA    ILE  119  17.61 +/- 5.03   0.839% *  0.0941% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    ILE  119  12.32 +/- 1.73   1.537% *  0.0496% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HA    ILE  119   8.34 +/- 1.99   4.424% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.15, residual support = 270.0:
    *   T QD1   ILE  119 - HA    ILE  119   3.49 +/- 0.50  92.057% * 99.2846% (0.97 10.00   6.15 270.09) =  99.984%  kept
        T HB    VAL   75 - HA    ILE  119  14.17 +/- 2.10   1.806% *  0.5824% (0.57 10.00   0.02   0.02) =   0.012%
          HB2   LEU  104 - HA    ILE  119  12.89 +/- 4.30   3.547% *  0.0747% (0.73  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - HA    ILE  119  13.05 +/- 2.31   2.590% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.37 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.74, residual support = 244.5:
    * O T HA    ILE  119 - HB    ILE  119   2.94 +/- 0.10  85.628% * 50.8167% (0.87  10.0 10.00   6.74 270.09) =  87.425%  kept
        T HA    THR  118 - HB    ILE  119   5.58 +/- 0.17  12.761% * 49.0416% (0.84   1.0 10.00   6.75  66.63) =  12.574%  kept
          HA2   GLY  109 - HB    ILE  119  15.40 +/- 1.75   0.670% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  21.79 +/- 2.77   0.269% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  23.23 +/- 2.73   0.202% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  17.28 +/- 1.70   0.470% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.67, residual support = 269.9:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  93.097% * 97.5886% (0.87  10.0 10.00   6.68 270.09) =  99.912%  kept
          QD2   LEU   71 - HB    ILE  119  12.82 +/- 4.54   3.534% *  2.2190% (0.75   1.0  1.00   0.52   0.02) =   0.086%
          QD1   ILE  103 - HB    ILE  119  14.68 +/- 3.89   0.606% *  0.0923% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HB    ILE  119  12.08 +/- 3.63   1.083% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  11.61 +/- 2.26   0.833% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.46 +/- 2.94   0.503% *  0.0271% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  16.46 +/- 3.34   0.344% *  0.0366% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.32, residual support = 270.1:
    * O T HG12  ILE  119 - HB    ILE  119   2.53 +/- 0.16  92.771% * 99.4466% (0.87  10.0 10.00   6.32 270.09) =  99.996%  kept
          HB3   PHE   72 - HB    ILE  119  13.12 +/- 3.97   2.306% *  0.0760% (0.66   1.0  1.00   0.02   0.24) =   0.002%
          HB2   ASP-  44 - HB    ILE  119  12.95 +/- 2.55   0.880% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  11.68 +/- 3.37   1.457% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  20.58 +/- 3.43   0.451% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  22.90 +/- 5.18   0.276% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  18.20 +/- 1.81   0.283% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  23.66 +/- 6.59   0.936% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  19.02 +/- 2.19   0.265% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.62 +/- 1.58   0.145% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  20.03 +/- 1.76   0.230% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.864, support = 6.0, residual support = 268.8:
    * O T HG13  ILE  119 - HB    ILE  119   2.85 +/- 0.31  77.936% * 95.5391% (0.87  10.0 10.00   6.03 270.09) =  99.523%  kept
        T QG1   VAL  107 - HB    ILE  119   7.62 +/- 2.34   8.557% *  4.0335% (0.13   1.0 10.00   0.55   0.02) =   0.461%  kept
        T QG2   VAL  107 - HB    ILE  119   8.00 +/- 1.94   5.767% *  0.1474% (0.13   1.0 10.00   0.02   0.02) =   0.011%
          HD3   LYS+ 112 - HB    ILE  119  10.42 +/- 1.63   2.116% *  0.0503% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HB    ILE  119   8.61 +/- 0.49   3.049% *  0.0295% (0.27   1.0  1.00   0.02   6.81) =   0.001%
          QB    ALA   20 - HB    ILE  119  16.28 +/- 4.08   1.067% *  0.0656% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    ILE  119  19.06 +/- 5.28   1.107% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    ILE  119  19.82 +/- 4.55   0.401% *  0.0953% (0.87   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.57, residual support = 270.1:
    * O T QD1   ILE  119 - HB    ILE  119   2.46 +/- 0.35  97.725% * 99.2846% (0.84  10.0 10.00   5.57 270.09) =  99.993%  kept
        T QG2   VAL  108 - HB    ILE  119  13.14 +/- 2.01   0.937% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - HB    ILE  119  14.52 +/- 3.71   0.809% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  15.35 +/- 1.81   0.529% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 7.16, residual support = 251.4:
    * O T HA    ILE  119 - QG2   ILE  119   2.67 +/- 0.23  88.677% * 50.8167% (1.00  10.0 10.00   7.28 270.09) =  90.815%  kept
        T HA    THR  118 - QG2   ILE  119   5.89 +/- 0.19   9.292% * 49.0416% (0.97   1.0 10.00   6.04  66.63) =   9.183%  kept
          HA2   GLY  109 - QG2   ILE  119  14.56 +/- 1.52   0.721% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   ILE  119  18.69 +/- 2.89   0.437% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  20.41 +/- 2.64   0.253% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  14.81 +/- 1.76   0.620% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.68, residual support = 270.1:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  93.112% * 99.2403% (0.87  10.0 10.00   6.68 270.09) =  99.994%  kept
          HG3   GLN   30 - QG2   ILE  119  16.48 +/- 4.31   1.222% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   ILE  119  15.62 +/- 4.05   1.209% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE  119  11.78 +/- 3.67   1.263% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QG2   ILE  119  11.49 +/- 1.28   0.662% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.97 +/- 1.59   0.391% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.45 +/- 1.75   0.330% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  15.06 +/- 3.53   0.442% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  19.00 +/- 3.37   0.163% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.63 +/- 1.65   0.512% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  15.20 +/- 2.74   0.336% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  20.90 +/- 5.35   0.358% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.25, residual support = 270.0:
    * O T HG12  ILE  119 - QG2   ILE  119   3.18 +/- 0.14  73.986% * 99.4466% (1.00  10.0 10.00   7.25 270.09) =  99.981%  kept
          HB3   PHE   72 - QG2   ILE  119  10.99 +/- 3.22   9.698% *  0.0760% (0.76   1.0  1.00   0.02   0.24) =   0.010%
          HB2   ASP-  44 - QG2   ILE  119  11.43 +/- 2.14   2.214% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QG2   ILE  119  16.39 +/- 3.26   1.699% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - QG2   ILE  119  18.89 +/- 5.91   6.380% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   ILE  119  18.88 +/- 4.74   1.073% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QG2   ILE  119  11.00 +/- 2.76   2.697% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  15.15 +/- 2.31   0.839% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QG2   ILE  119  16.57 +/- 1.50   0.571% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   ILE  119  19.87 +/- 1.58   0.319% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  17.07 +/- 1.84   0.525% *  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 = 6.74, residual support = 270.1:
    * O T HG13  ILE  119 - QG2   ILE  119   2.52 +/- 0.22  82.599% * 99.6771% (1.00  10.0 10.00   6.74 270.09) =  99.992%  kept
          QB    ALA   20 - QG2   ILE  119  13.37 +/- 3.56   2.943% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - QG2   ILE  119   9.71 +/- 1.61   2.134% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QG2   ILE  119   7.59 +/- 0.31   3.313% *  0.0308% (0.31   1.0  1.00   0.02   6.81) =   0.001%
          QG1   VAL  107 - QG2   ILE  119   7.73 +/- 1.86   4.024% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  16.02 +/- 4.50   1.396% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  16.44 +/- 4.18   0.575% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   8.13 +/- 1.56   3.016% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.13, residual support = 270.1:
    *   T QD1   ILE  119 - QG2   ILE  119   1.97 +/- 0.15  98.512% * 99.8078% (0.97 10.00   6.13 270.09) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  12.90 +/- 3.25   0.529% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  12.35 +/- 1.64   0.505% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  13.28 +/- 1.76   0.453% *  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 = 7.17, residual support = 249.1:
    * O T HA    ILE  119 - HG12  ILE  119   2.62 +/- 0.32  87.625% * 50.8167% (1.00  10.0 10.00   7.21 270.09) =  89.663%  kept
        T HA    THR  118 - HG12  ILE  119   5.77 +/- 0.38  10.467% * 49.0416% (0.97   1.0 10.00   6.80  66.63) =  10.336%  kept
          HA2   GLY  109 - HG12  ILE  119  14.60 +/- 1.98   0.942% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  20.38 +/- 2.64   0.255% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  21.38 +/- 2.64   0.189% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  15.20 +/- 1.53   0.522% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.32, residual support = 270.1:
    * O T HB    ILE  119 - HG12  ILE  119   2.53 +/- 0.16  93.253% * 98.6651% (0.87  10.0 10.00   6.32 270.09) =  99.992%  kept
        T HB2   ARG+  54 - HG12  ILE  119  15.30 +/- 1.37   0.483% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - HG12  ILE  119  14.18 +/- 3.21   0.788% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  11.73 +/- 1.71   1.143% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  18.66 +/- 3.95   0.518% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG12  ILE  119  17.57 +/- 3.67   0.585% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  14.27 +/- 2.24   0.620% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  12.13 +/- 1.98   1.170% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  21.51 +/- 3.54   0.189% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.92 +/- 3.74   0.404% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  23.86 +/- 5.32   0.541% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  18.23 +/- 2.45   0.306% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 7.22, residual support = 268.7:
    * O T QG2   ILE  119 - HG12  ILE  119   3.18 +/- 0.14  70.684% * 97.5909% (1.00  10.0 10.00   7.25 270.09) =  99.474%  kept
          QD2   LEU   71 - HG12  ILE  119  11.48 +/- 4.44  16.279% *  2.2166% (0.87   1.0  1.00   0.52   0.02) =   0.520%  kept
          QD1   ILE  103 - HG12  ILE  119  13.59 +/- 3.52   1.716% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HG12  ILE  119  10.92 +/- 3.45   5.015% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  119  10.20 +/- 2.14   3.036% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  14.48 +/- 3.08   1.588% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  12.53 +/- 2.69   1.682% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.67, residual support = 270.1:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  92.229% * 99.6771% (1.00  10.0 10.00   6.67 270.09) =  99.998%  kept
          QG1   VAL  107 - HG12  ILE  119   6.91 +/- 2.12   2.909% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119  10.14 +/- 2.04   0.773% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   7.29 +/- 2.00   2.180% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  17.79 +/- 4.89   0.789% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.09 +/- 0.57   0.700% *  0.0308% (0.31   1.0  1.00   0.02   6.81) =   0.000%
          QB    ALA   20 - HG12  ILE  119  15.13 +/- 3.39   0.283% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  18.47 +/- 4.17   0.137% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 270.1:
    * O T QD1   ILE  119 - HG12  ILE  119   2.13 +/- 0.02  98.337% * 99.8078% (0.97  10.0 10.00   5.90 270.09) =  99.999%  kept
          HB2   LEU  104 - HG12  ILE  119  13.81 +/- 3.53   0.529% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG12  ILE  119  12.27 +/- 2.07   0.663% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  13.25 +/- 1.64   0.471% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.85, residual support = 252.3:
    * O T HA    ILE  119 - HG13  ILE  119   2.74 +/- 0.47  89.225% * 50.8167% (1.00  10.0 10.00   6.88 270.09) =  91.263%  kept
        T HA    THR  118 - HG13  ILE  119   6.62 +/- 0.60   8.849% * 49.0416% (0.97   1.0 10.00   6.58  66.63) =   8.735%  kept
          HA2   GLY  109 - HG13  ILE  119  15.62 +/- 2.03   0.725% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  20.49 +/- 3.14   0.319% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  22.11 +/- 2.74   0.286% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  15.56 +/- 1.58   0.595% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.03, residual support = 270.1:
    * O T HB    ILE  119 - HG13  ILE  119   2.85 +/- 0.31  89.924% * 99.2403% (0.87  10.0 10.00   6.03 270.09) =  99.992%  kept
          HB3   PRO   68 - HG13  ILE  119  13.45 +/- 3.63   1.902% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG13  ILE  119  17.57 +/- 3.96   1.491% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HG13  ILE  119  18.68 +/- 4.16   1.113% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.67 +/- 1.68   1.213% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  15.35 +/- 1.96   0.716% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  15.34 +/- 1.68   0.662% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  12.88 +/- 2.07   1.237% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.79 +/- 3.62   0.297% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  17.54 +/- 3.81   0.621% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  17.89 +/- 2.57   0.488% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  23.94 +/- 5.27   0.336% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.69, residual support = 267.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.52 +/- 0.22  76.719% * 95.5181% (1.00  10.0 10.00   6.74 270.09) =  99.053%  kept
          QD2   LEU   71 - HG13  ILE  119  11.42 +/- 4.33  16.269% *  4.2935% (0.87   1.0  1.00   1.04   0.02) =   0.944%  kept
          QD1   ILE  103 - HG13  ILE  119  14.21 +/- 3.40   0.626% *  0.0904% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG13  ILE  119  10.92 +/- 3.55   2.727% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG13  ILE  119   9.92 +/- 2.27   2.276% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  119  14.53 +/- 2.95   0.697% *  0.0358% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.17 +/- 2.57   0.685% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.67, residual support = 270.1:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  96.029% * 99.4466% (1.00  10.0 10.00   6.67 270.09) =  99.998%  kept
          HB3   PHE   72 - HG13  ILE  119  11.42 +/- 3.79   1.925% *  0.0760% (0.76   1.0  1.00   0.02   0.24) =   0.002%
          HB2   ASP-  44 - HG13  ILE  119  11.23 +/- 2.62   0.545% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  11.98 +/- 2.76   0.441% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  19.36 +/- 3.16   0.121% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  21.68 +/- 4.64   0.099% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  22.65 +/- 6.42   0.482% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.67 +/- 2.00   0.104% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  17.84 +/- 2.04   0.102% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  21.74 +/- 1.79   0.054% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  18.30 +/- 1.68   0.097% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.6, residual support = 270.1:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.02  98.578% * 99.8078% (0.97  10.0 10.00   5.60 270.09) =  99.999%  kept
          HB2   LEU  104 - HG13  ILE  119  14.40 +/- 3.36   0.470% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  13.17 +/- 1.84   0.500% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  13.68 +/- 1.76   0.452% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.15, residual support = 260.2:
    *   T HA    ILE  119 - QD1   ILE  119   3.49 +/- 0.50  80.022% * 76.8667% (0.97 10.00   6.15 270.09) =  95.120%  kept
          HA    THR  118 - QD1   ILE  119   6.48 +/- 0.22  13.818% * 22.7977% (0.93  1.00   6.15  66.63) =   4.871%  kept
        T HA    VAL   75 - QD1   ILE  119  13.17 +/- 1.54   1.925% *  0.1346% (0.17 10.00   0.02   0.02) =   0.004%
          HA2   GLY  109 - QD1   ILE  119  12.95 +/- 1.67   2.152% *  0.0558% (0.70  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD1   ILE  119  16.60 +/- 2.61   1.371% *  0.0762% (0.96  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD1   ILE  119  18.41 +/- 2.42   0.713% *  0.0689% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.57, residual support = 270.1:
    * O T HB    ILE  119 - QD1   ILE  119   2.46 +/- 0.35  88.610% * 98.5836% (0.84  10.0 10.00   5.57 270.09) =  99.986%  kept
        T HB    VAL  108 - QD1   ILE  119  13.12 +/- 1.71   0.740% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   68 - QD1   ILE  119  11.71 +/- 2.95   1.965% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QD1   ILE  119  15.39 +/- 3.26   0.874% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.21 +/- 1.62   1.466% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  16.25 +/- 3.44   0.705% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QD1   ILE  119  11.97 +/- 1.56   1.092% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - QD1   ILE  119  10.52 +/- 1.80   1.671% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE  119  15.09 +/- 3.49   0.859% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  15.42 +/- 2.53   0.688% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  20.44 +/- 4.62   1.051% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.29 +/- 2.79   0.280% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.12, residual support = 269.4:
    *   T QG2   ILE  119 - QD1   ILE  119   1.97 +/- 0.15  88.804% * 95.8473% (0.97 10.00   6.13 270.09) =  99.738%  kept
          QD2   LEU   71 - QD1   ILE  119  10.29 +/- 3.58   5.591% *  3.9637% (0.84  1.00   0.95   0.02) =   0.260%  kept
          QD1   ILE  103 - QD1   ILE  119  12.61 +/- 2.67   0.607% *  0.0907% (0.91  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD1   ILE  119   9.99 +/- 2.85   1.929% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   ILE  119   8.76 +/- 1.83   1.680% *  0.0190% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.12 +/- 2.88   0.811% *  0.0360% (0.36  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.79 +/- 1.91   0.579% *  0.0266% (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 = 0.964, support = 5.88, residual support = 269.2:
    * O T HG12  ILE  119 - QD1   ILE  119   2.13 +/- 0.02  86.700% * 96.2143% (0.97  10.0 10.00   5.90 270.09) =  99.665%  kept
          HB3   PHE   72 - QD1   ILE  119   9.96 +/- 3.56   8.357% *  3.3239% (0.74   1.0  1.00   0.90   0.24) =   0.332%  kept
          HB2   ASP-  44 - QD1   ILE  119   9.57 +/- 2.10   1.455% *  0.0622% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD1   ILE  119  16.52 +/- 3.05   0.411% *  0.0661% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119  10.83 +/- 2.10   0.881% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  14.54 +/- 1.70   0.317% *  0.0661% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  18.76 +/- 4.00   0.264% *  0.0770% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  15.40 +/- 2.18   0.281% *  0.0506% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  19.13 +/- 5.42   0.884% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.94 +/- 1.62   0.161% *  0.0804% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  15.27 +/- 1.74   0.290% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.6, residual support = 270.1:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  85.824% * 99.6771% (0.97  10.0 10.00   5.60 270.09) =  99.995%  kept
          HD3   LYS+ 112 - QD1   ILE  119   7.96 +/- 1.87   3.237% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QD1   ILE  119  12.85 +/- 3.07   0.830% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QD1   ILE  119   6.94 +/- 1.51   3.665% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   7.04 +/- 1.53   3.584% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD1   ILE  119  15.33 +/- 4.14   1.249% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QD1   ILE  119  16.33 +/- 3.73   0.425% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.03 +/- 0.56   1.187% *  0.0308% (0.30   1.0  1.00   0.02   6.81) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.941, support = 2.32, residual support = 13.3:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.02  91.406% * 85.5096% (0.95  10.0 10.00   2.30  13.39) =  99.348%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.60 +/- 0.81   3.658% * 13.9474% (0.15   1.0 10.00   4.37   2.67) =   0.649%  kept
          HG    LEU  115 - HA    ALA  120  10.34 +/- 1.30   0.994% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  15.41 +/- 5.62   0.706% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  16.25 +/- 2.49   0.275% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    ALA  120  10.95 +/- 0.89   0.721% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  14.43 +/- 5.16   0.678% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  15.24 +/- 3.65   0.431% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  18.34 +/- 5.17   0.902% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  19.05 +/- 3.39   0.229% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.35, residual support = 13.1:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.02  76.901% * 83.9788% (0.95  10.0 10.00   2.30  13.39) =  97.068%  kept
          HA    LYS+ 121 - QB    ALA  120   3.84 +/- 0.07  13.129% * 13.3335% (0.72   1.0  1.00   4.16   2.67) =   2.631%  kept
          QB    SER  117 - QB    ALA  120   4.66 +/- 0.53   8.817% *  2.2613% (0.39   1.0  1.00   1.31   5.30) =   0.300%  kept
          HA2   GLY   16 - QB    ALA  120  16.98 +/- 3.38   0.270% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA  120  14.69 +/- 1.51   0.266% *  0.0642% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.67 +/- 1.17   0.203% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  19.49 +/- 2.56   0.127% *  0.0775% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.88 +/- 1.81   0.103% *  0.0577% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  23.34 +/- 2.70   0.069% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  19.05 +/- 1.47   0.115% *  0.0166% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.938, support = 7.93, residual support = 296.1:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.88 +/- 0.13  48.132% * 75.8737% (1.00  10.0 10.00   8.30 312.77) =  92.550%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.35 +/- 0.50  33.959% *  4.7517% (0.06   1.0 10.00   4.88 159.15) =   4.089%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.62 +/- 0.90   7.740% * 17.0033% (0.31   1.0 10.00   1.45   2.28) =   3.335%  kept
        T QD    LYS+  38 - HA    LYS+ 121  17.83 +/- 6.94   0.587% *  0.6805% (0.90   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 102 - HA    LYS+ 121  17.09 +/- 5.77   0.600% *  0.3992% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  65 - HA    LYS+ 121  16.89 +/- 2.05   0.302% *  0.7571% (1.00   1.0 10.00   0.02   0.02) =   0.006%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.66 +/- 1.92   0.243% *  0.2110% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  16.28 +/- 1.99   0.336% *  0.0476% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  18.34 +/- 2.53   0.235% *  0.0427% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  15.12 +/- 1.47   0.401% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.96 +/- 2.47   0.163% *  0.0460% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65   9.28 +/- 2.61   2.207% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.37 +/- 4.30   0.079% *  0.0744% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  16.71 +/- 2.37   0.334% *  0.0147% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65   9.54 +/- 2.30   2.946% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.64 +/- 1.46   0.163% *  0.0259% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.84 +/- 4.47   0.893% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.80 +/- 2.54   0.115% *  0.0251% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  22.36 +/- 1.98   0.117% *  0.0132% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  15.98 +/- 2.61   0.447% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 312.7:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.58 +/- 0.60  79.613% * 99.6412% (1.00  10.0 10.00   7.34 312.77) =  99.989%  kept
          HG13  ILE  103 - HA    LYS+ 121  15.82 +/- 6.09   7.984% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          QG2   VAL  107 - HA    LYS+ 121  10.65 +/- 1.99   2.290% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   20 - HA    LYS+ 121  17.39 +/- 4.75   1.284% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LYS+ 121   8.76 +/- 0.31   2.955% *  0.0308% (0.31   1.0  1.00   0.02   6.81) =   0.001%
        T HG2   LYS+ 121 - HA    LYS+  65  18.38 +/- 2.11   0.407% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  18.24 +/- 6.18   0.697% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.48 +/- 5.02   2.221% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.35 +/- 1.50   0.745% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  12.10 +/- 1.10   1.140% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.02 +/- 2.46   0.287% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  17.81 +/- 3.16   0.378% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.72, residual support = 312.2:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.07 +/- 0.46  76.391% * 97.8278% (1.00  10.0 10.00   6.73 312.77) =  99.816%  kept
          QD2   LEU  123 - HA    LYS+ 121   6.94 +/- 0.61   7.860% *  1.6669% (0.49   1.0  1.00   0.70   2.28) =   0.175%  kept
        T QD2   LEU   73 - HA    LYS+ 121  14.36 +/- 3.20   1.082% *  0.3337% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HA    LYS+  65   9.17 +/- 1.29   5.425% *  0.0209% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LYS+ 121  12.44 +/- 1.48   1.915% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    LYS+ 121  18.76 +/- 5.95   1.492% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  18.39 +/- 2.04   0.457% *  0.0614% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  11.22 +/- 2.11   2.947% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  12.84 +/- 2.51   1.784% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  17.11 +/- 2.75   0.647% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.723, support = 7.67, residual support = 302.8:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.50 +/- 0.68  21.745% * 69.2258% (1.00   1.0 10.00   7.62 312.77) =  62.137%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.73 +/- 0.23  35.954% * 21.3664% (0.31  10.0 10.00   8.24 312.77) =  31.710%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.10 +/- 0.88  32.202% *  4.3065% (0.06  10.0 10.00   5.27 159.15) =   5.724%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.49 +/- 0.80   2.835% *  3.4792% (0.05   1.0 10.00   5.66  30.19) =   0.407%  kept
        T QD    LYS+  66 - HA    LYS+ 121  14.63 +/- 4.33   0.598% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   LYS+  65 - HA    LYS+ 121  18.21 +/- 2.19   0.145% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HA    LYS+ 121  18.06 +/- 4.87   0.390% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  12.75 +/- 5.86   0.721% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+  65   9.25 +/- 2.90   1.756% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  20.60 +/- 2.78   0.094% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LYS+ 121  19.73 +/- 3.03   0.127% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.22 +/- 2.03   0.153% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.13 +/- 5.76   0.482% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.74 +/- 2.20   1.161% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.48 +/- 1.66   0.206% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.75 +/- 3.99   0.720% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.72 +/- 2.06   0.165% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.32 +/- 1.08   0.335% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  20.26 +/- 2.70   0.102% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.62 +/- 1.91   0.107% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 6.63, residual support = 254.2:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.99 +/- 0.87  63.220% * 55.4919% (1.00   6.70 312.77) =  77.404%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.95 +/- 0.31  23.129% * 44.2621% (0.84   6.40  53.63) =  22.587%  kept
          HG2   GLN   30 - HA    LYS+ 121  19.58 +/- 5.83   2.022% *  0.1137% (0.69   0.02   0.02) =   0.005%
          HB3   ASN   28 - HA    LYS+ 121  21.92 +/- 6.75   1.495% *  0.0742% (0.45   0.02   0.02) =   0.002%
          HB3   HIS  122 - HA    LYS+  65  13.61 +/- 3.13   2.913% *  0.0087% (0.05   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HA    LYS+  65  16.57 +/- 2.10   1.242% *  0.0104% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  16.50 +/- 3.74   1.609% *  0.0071% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  26.34 +/- 2.64   0.327% *  0.0255% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  17.26 +/- 3.77   3.378% *  0.0016% (0.01   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  20.49 +/- 4.32   0.668% *  0.0047% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 8.21, residual support = 304.1:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.88 +/- 0.13  75.467% * 81.4622% (1.00  10.0 10.00   8.30 312.77) =  97.191%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.79 +/- 0.37   9.847% * 17.3077% (0.76   1.0  1.00   5.56   2.67) =   2.694%  kept
          QB    SER  117 - HB2   LYS+ 121   6.35 +/- 1.36  11.147% *  0.6240% (0.84   1.0  1.00   0.18   0.02) =   0.110%  kept
        T HA    LYS+  65 - HB2   LYS+ 121  16.28 +/- 1.99   0.512% *  0.2779% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   LYS+ 121  15.95 +/- 2.54   0.537% *  0.0807% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.23 +/- 1.31   1.481% *  0.0226% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   LYS+ 121  21.89 +/- 3.04   0.222% *  0.0771% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.32 +/- 4.32   0.493% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.81 +/- 1.91   0.158% *  0.0807% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  25.49 +/- 3.68   0.136% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.74, residual support = 312.7:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.82 +/- 0.25  78.600% * 99.7211% (1.00  10.0 10.00   7.74 312.77) =  99.986%  kept
          HG13  ILE  103 - HB2   LYS+ 121  13.93 +/- 5.74   9.874% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          QG2   VAL  107 - HB2   LYS+ 121   8.93 +/- 2.16   3.506% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - HB2   LYS+ 121   7.40 +/- 0.72   5.002% *  0.0308% (0.31   1.0  1.00   0.02   6.81) =   0.002%
          QB    ALA   20 - HB2   LYS+ 121  16.13 +/- 4.37   1.718% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB2   LYS+ 121  16.87 +/- 5.91   1.300% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 7.09, residual support = 308.6:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.72 +/- 0.24  89.084% * 80.0974% (1.00  10.0 10.00   7.17 312.77) =  98.663%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.72 +/- 0.88   4.905% * 19.5629% (0.49   1.0 10.00   1.00   2.28) =   1.327%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  12.67 +/- 3.25   2.079% *  0.2732% (0.34   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE   56 - HB2   LYS+ 121  10.89 +/- 1.72   2.695% *  0.0486% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HB2   LYS+ 121  17.19 +/- 5.66   1.236% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 8.37, residual support = 312.7:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.54 +/- 0.56  28.942% * 74.7463% (1.00  10.0 10.00   8.06 312.77) =  57.607%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  68.988% * 23.0703% (0.31  10.0 10.00   8.78 312.77) =  42.383%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.76 +/- 4.03   0.367% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.70 +/- 2.11   0.099% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HB2   LYS+ 121  17.59 +/- 3.03   0.099% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HB2   LYS+ 121  16.87 +/- 4.38   0.201% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  11.54 +/- 5.29   0.541% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.49 +/- 2.81   0.074% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  12.63 +/- 5.34   0.527% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.96 +/- 2.05   0.161% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 7.02, residual support = 257.2:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.65 +/- 0.54  66.184% * 56.4843% (1.00   7.15 312.77) =  78.549%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.45 +/- 0.60  23.553% * 43.3118% (0.84   6.56  53.63) =  21.434%  kept
          HB3   ASN   28 - HB2   LYS+ 121  20.55 +/- 6.49   8.400% *  0.0709% (0.45   0.02   0.02) =   0.013%
          HG2   GLN   30 - HB2   LYS+ 121  18.13 +/- 5.20   1.583% *  0.1086% (0.69   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HB2   LYS+ 121  23.97 +/- 2.47   0.280% *  0.0244% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 7.31, residual support = 309.2:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.58 +/- 0.60  80.205% * 84.3175% (1.00  10.0 10.00   7.34 312.77) =  98.847%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.88 +/- 0.41   5.193% * 14.9848% (0.76   1.0  1.00   4.65   2.67) =   1.137%  kept
          QB    SER  117 - HG2   LYS+ 121   6.76 +/- 1.63  11.311% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.012%
        T HA    LYS+  65 - HG2   LYS+ 121  18.38 +/- 2.11   0.410% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+ 121  17.35 +/- 3.03   0.707% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG2   LYS+ 121  13.43 +/- 1.47   1.164% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  23.53 +/- 3.20   0.264% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  19.38 +/- 4.76   0.438% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  25.68 +/- 2.20   0.131% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  26.71 +/- 3.97   0.178% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.74, residual support = 312.8:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.82 +/- 0.25  89.475% * 99.4783% (1.00  10.0 10.00   7.74 312.77) =  99.995%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.87 +/- 1.06   5.169% *  0.0307% (0.31   1.0  1.00   0.02   2.28) =   0.002%
          QD    LYS+  38 - HG2   LYS+ 121  17.75 +/- 6.74   1.255% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  15.75 +/- 5.94   1.621% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG2   LYS+ 121  17.56 +/- 2.05   0.470% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 121  15.33 +/- 1.87   0.777% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.48 +/- 4.84   0.180% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  19.91 +/- 2.70   0.281% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  17.12 +/- 2.55   0.464% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.13 +/- 2.04   0.308% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 312.8:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.093% * 99.3314% (1.00  10.0 10.00   6.31 312.77) =  99.997%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  14.14 +/- 3.55   0.368% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   31 - HG2   LYS+ 121  18.38 +/- 5.93   0.267% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.69 +/- 0.72   0.888% *  0.0483% (0.49   1.0  1.00   0.02   2.28) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.46 +/- 1.72   0.384% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.818, support = 7.3, residual support = 312.7:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.84 +/- 0.14  43.995% * 75.5250% (1.00  10.0 10.00   7.16 312.77) =  73.708%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.70 +/- 0.18  50.821% * 23.3106% (0.31  10.0 10.00   7.71 312.77) =  26.279%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  15.50 +/- 4.23   0.619% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.94 +/- 2.39   0.378% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HG2   LYS+ 121  11.29 +/- 6.20   2.380% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+ 121  18.11 +/- 4.66   0.447% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.64 +/- 2.94   0.138% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.86 +/- 2.13   0.170% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  13.94 +/- 5.54   0.866% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  19.66 +/- 3.20   0.188% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 308.8:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.50 +/- 0.48  92.358% * 81.4075% (1.00  10.0   6.31 312.77) =  98.452%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.04 +/- 0.76   6.393% * 18.4875% (0.84   1.0   5.44  53.63) =   1.548%  kept
          HB3   ASN   28 - HG2   LYS+ 121  21.61 +/- 6.85   0.743% *  0.0365% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG2   LYS+ 121  19.57 +/- 5.44   0.384% *  0.0559% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  25.85 +/- 2.60   0.122% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.994, support = 6.68, residual support = 308.3:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.07 +/- 0.46  54.132% * 84.9413% (1.00  10.0 10.00   6.73 312.77) =  98.545%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.38 +/- 0.46   3.990% * 12.9774% (0.76   1.0  1.00   4.00   2.67) =   1.110%  kept
          HA    PHE   60 - QD2   LEU   73   8.25 +/- 2.99  17.465% *  0.8350% (0.09   1.0  1.00   2.07   2.78) =   0.313%  kept
          QB    SER  117 - HG3   LYS+ 121   6.95 +/- 1.54   7.443% *  0.0709% (0.84   1.0  1.00   0.02   0.02) =   0.011%
        T HA    LYS+  65 - QD2   LEU   73   9.17 +/- 1.29   3.312% *  0.0988% (0.12   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LYS+ 121 - QD2   LEU   73  14.36 +/- 3.20   0.736% *  0.2897% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HG3   LYS+ 121  18.39 +/- 2.04   0.332% *  0.2897% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD2   LEU   73  12.54 +/- 3.99   2.590% *  0.0274% (0.32   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD2   LEU   73  10.85 +/- 2.26   2.165% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  13.38 +/- 3.67   1.708% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  17.00 +/- 2.64   0.444% *  0.0842% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD2   LEU   73  17.09 +/- 3.88   0.848% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  13.51 +/- 5.82   1.782% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.31 +/- 1.38   0.837% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  14.49 +/- 3.32   0.797% *  0.0221% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  19.31 +/- 4.46   0.383% *  0.0349% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.68 +/- 2.45   0.159% *  0.0842% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  23.33 +/- 3.13   0.159% *  0.0804% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  15.94 +/- 2.31   0.610% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  26.27 +/- 3.55   0.109% *  0.0349% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.994, support = 7.14, residual support = 310.4:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.72 +/- 0.24  70.784% * 88.5435% (1.00  10.0 10.00   7.17 312.77) =  99.171%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.51 +/- 0.97   7.072% *  4.9766% (0.21   1.0  1.00   5.43  41.69) =   0.557%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.42 +/- 0.77   2.903% *  5.6010% (0.31   1.0 10.00   0.41   2.28) =   0.257%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  12.67 +/- 3.25   1.646% *  0.3019% (0.34   1.0 10.00   0.02   0.02) =   0.008%
          QD    LYS+  38 - HG3   LYS+ 121  17.34 +/- 6.49   0.703% *  0.0794% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU   73  10.03 +/- 1.35   1.846% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  15.23 +/- 5.90   1.061% *  0.0466% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  10.62 +/- 3.03   4.461% *  0.0093% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QD2   LEU   73  13.12 +/- 2.79   1.226% *  0.0296% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  12.00 +/- 2.25   1.273% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU   73  12.45 +/- 3.70   2.742% *  0.0103% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.58 +/- 2.09   0.309% *  0.0883% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  15.43 +/- 1.80   0.560% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.61 +/- 2.41   0.236% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.53 +/- 2.26   0.758% *  0.0159% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  15.09 +/- 3.59   1.183% *  0.0093% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  25.00 +/- 4.63   0.122% *  0.0868% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  17.21 +/- 2.48   0.343% *  0.0246% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.98 +/- 1.64   0.238% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  17.75 +/- 4.31   0.535% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 6.3, residual support = 312.2:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  77.705% * 96.7888% (1.00  10.0 10.00   6.31 312.77) =  99.826%  kept
          QB    ALA   20 - QD2   LEU   73   7.45 +/- 4.27   5.454% *  2.2198% (0.27   1.0  1.00   1.68   0.02) =   0.161%  kept
          HG13  ILE  103 - HG3   LYS+ 121  13.58 +/- 6.52  10.364% *  0.0471% (0.49   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   LEU   31 - QD2   LEU   73   8.54 +/- 2.87   1.121% *  0.0918% (0.09   1.0 10.00   0.02   1.31) =   0.001%
        T HG2   LYS+ 121 - QD2   LEU   73  14.14 +/- 3.55   0.294% *  0.3301% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HG3   LYS+ 121  17.22 +/- 4.78   1.135% *  0.0775% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  17.29 +/- 6.20   0.263% *  0.2691% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG3   LYS+ 121   9.74 +/- 2.45   0.682% *  0.0893% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD2   LEU   73  10.38 +/- 2.94   1.471% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG3   LYS+ 121   9.63 +/- 0.57   0.488% *  0.0299% (0.31   1.0  1.00   0.02   6.81) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  11.66 +/- 3.31   0.699% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.86 +/- 1.98   0.324% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.777, support = 6.68, residual support = 308.9:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.88 +/- 0.16  28.684% * 67.5023% (1.00  10.0 10.00   6.56 312.77) =  67.924%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.51 +/- 0.28  41.973% * 20.8344% (0.31  10.0 10.00   7.04 312.77) =  30.678%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.51 +/- 0.78   4.967% *  5.2836% (0.26   1.0  1.00   6.01  41.69) =   0.921%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.58 +/- 1.03   1.852% *  4.5553% (0.07   1.0 10.00   2.89  41.69) =   0.296%  kept
          QG2   THR   26 - QD2   LEU   73   7.65 +/- 3.88  11.080% *  0.3944% (0.33   1.0  1.00   0.36   0.02) =   0.153%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  15.55 +/- 4.14   0.483% *  0.5405% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  66 - QD2   LEU   73  11.52 +/- 1.87   1.130% *  0.1843% (0.27   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   LYS+ 121 - QD2   LEU   73  13.25 +/- 3.58   0.576% *  0.2302% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+ 121 - QD2   LEU   73  13.00 +/- 3.34   0.708% *  0.0710% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HG3   LYS+ 121  10.64 +/- 6.24   2.264% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HG3   LYS+ 121  17.73 +/- 4.70   0.418% *  0.0651% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73  10.45 +/- 1.44   0.739% *  0.0228% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.36 +/- 2.72   0.096% *  0.1336% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   7.80 +/- 1.95   2.647% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.88 +/- 2.18   0.129% *  0.0669% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  13.51 +/- 5.36   0.635% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  19.32 +/- 2.96   0.121% *  0.0516% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  12.54 +/- 2.70   0.834% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  14.94 +/- 2.36   0.229% *  0.0150% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  15.40 +/- 4.02   0.435% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.98, residual support = 308.6:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.71 +/- 0.42  64.388% * 81.8421% (1.00  10.0   6.00 312.77) =  98.414%  kept
          HB3   HIS  122 - HG3   LYS+ 121   7.19 +/- 0.65   4.293% * 17.5356% (0.84   1.0   5.13  53.63) =   1.406%  kept
          HG2   GLN   30 - QD2   LEU   73   7.56 +/- 4.06  20.940% *  0.4487% (0.23   1.0   0.47   2.63) =   0.175%  kept
          HB3   HIS  122 - QD2   LEU   73  11.93 +/- 3.69   3.753% *  0.0233% (0.28   1.0   0.02   0.02) =   0.002%
          HB3   ASN   28 - HG3   LYS+ 121  21.05 +/- 6.80   1.635% *  0.0367% (0.45   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  12.55 +/- 3.17   1.398% *  0.0279% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   ASN   28 - QD2   LEU   73  10.39 +/- 3.97   2.206% *  0.0125% (0.15   1.0   0.02   1.14) =   0.001%
          HG2   GLN   30 - HG3   LYS+ 121  19.08 +/- 5.45   0.445% *  0.0562% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.84 +/- 1.68   0.847% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  25.47 +/- 2.25   0.096% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.966, support = 7.21, residual support = 274.2:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.50 +/- 0.68  34.126% * 54.7967% (1.00 10.00   7.62 312.77) =  87.496%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.60 +/- 0.81   5.915% * 41.8772% (0.76 10.00   4.37   2.67) =  11.590%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.49 +/- 0.80   5.895% *  2.3243% (0.04 10.00   5.66  30.19) =   0.641%  kept
          QB    SER  117 - HD2   LYS+ 121   6.28 +/- 1.94  16.298% *  0.3250% (0.84  1.00   0.14   0.02) =   0.248%  kept
        T HA    LYS+  65 - HD3   LYS+  74   9.25 +/- 2.90   3.566% *  0.0292% (0.05 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QD    LYS+  66  14.63 +/- 4.33   1.478% *  0.0681% (0.12 10.00   0.02   0.02) =   0.005%
          QB    SER   48 - HD3   LYS+  74  11.27 +/- 5.95  10.093% *  0.0081% (0.15  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HD2   LYS+ 121  17.22 +/- 2.03   0.408% *  0.1869% (0.34 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - HD3   LYS+  74  20.60 +/- 2.78   0.252% *  0.0855% (0.16 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  16.43 +/- 2.05   0.386% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  12.27 +/- 1.06   1.101% *  0.0152% (0.28  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66  12.74 +/- 4.46   2.667% *  0.0052% (0.10  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+  74   9.81 +/- 2.39   5.659% *  0.0024% (0.04  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD2   LYS+ 121  18.91 +/- 4.85   0.456% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  13.55 +/- 2.25   0.981% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  22.62 +/- 2.90   0.147% *  0.0518% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.71 +/- 2.23   0.140% *  0.0543% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  17.07 +/- 4.57   1.082% *  0.0064% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  14.75 +/- 7.48   2.461% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.08 +/- 3.43   0.815% *  0.0071% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  15.75 +/- 3.81   0.658% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.51 +/- 1.35   2.636% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  14.91 +/- 2.95   0.769% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  25.95 +/- 3.31   0.107% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.06 +/- 2.46   0.330% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.47 +/- 2.91   0.323% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  18.47 +/- 2.44   0.280% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  19.22 +/- 7.68   0.503% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.63 +/- 2.16   0.311% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  23.60 +/- 4.47   0.156% *  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 = 0.817, support = 7.12, residual support = 283.4:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.54 +/- 0.56  25.721% * 79.1506% (1.00  10.0 10.00   8.06 312.77) =  79.660%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  61.357% *  7.4880% (0.09  10.0  1.00   3.34 186.77) =  17.977%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.34 +/- 1.63   6.084% *  9.8204% (0.12   1.0 10.00   4.28  30.19) =   2.338%  kept
        T QD    LYS+  38 - HD2   LYS+ 121  17.37 +/- 6.31   0.203% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HD2   LYS+ 121  15.47 +/- 5.25   0.322% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HD3   LYS+  74   9.24 +/- 3.03   0.950% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HD2   LYS+ 121  16.58 +/- 2.09   0.094% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 121 - QD    LYS+  66  13.76 +/- 4.03   0.327% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.75 +/- 2.62   0.062% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.91 +/- 1.17   0.787% *  0.0244% (0.31   1.0  1.00   0.02   2.28) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  16.54 +/- 2.29   0.085% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QD    LYS+  66  16.25 +/- 3.68   0.164% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.49 +/- 2.81   0.066% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  21.91 +/- 4.69   0.208% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  19.78 +/- 3.14   0.055% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  12.23 +/- 3.02   0.815% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  14.46 +/- 2.11   0.169% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.56 +/- 4.45   0.034% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  21.21 +/- 3.35   0.047% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  22.52 +/- 2.29   0.032% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  10.36 +/- 2.51   0.537% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  12.62 +/- 4.55   0.636% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.91 +/- 1.87   0.154% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  18.19 +/- 1.43   0.059% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  12.96 +/- 2.60   0.342% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  10.54 +/- 1.77   0.386% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  21.31 +/- 2.74   0.039% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  21.27 +/- 3.79   0.107% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.48 +/- 2.64   0.092% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.27 +/- 3.07   0.066% *  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 = 7.15, residual support = 312.7:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.84 +/- 0.14  60.577% * 99.3656% (1.00  10.0 10.00   7.16 312.77) =  99.975%  kept
          HG13  ILE  103 - HD2   LYS+ 121  13.76 +/- 5.72  12.492% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.010%
          QG2   VAL  107 - HD2   LYS+ 121   9.10 +/- 2.21   3.352% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   20 - HD2   LYS+ 121  16.78 +/- 4.71   2.703% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - HD3   LYS+  74   9.56 +/- 6.28   9.450% *  0.0124% (0.12   1.0  1.00   0.02   5.35) =   0.002%
        T HG2   LYS+ 121 - QD    LYS+  66  15.50 +/- 4.23   0.890% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HD2   LYS+ 121   8.50 +/- 1.04   2.529% *  0.0307% (0.31   1.0  1.00   0.02   6.81) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.64 +/- 2.94   0.191% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  17.28 +/- 6.09   0.655% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  14.08 +/- 2.33   0.930% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  10.35 +/- 3.31   2.753% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.19 +/- 4.02   0.888% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  14.03 +/- 2.65   0.694% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.67 +/- 2.44   0.633% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  19.06 +/- 2.27   0.225% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  19.48 +/- 3.37   0.279% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  17.74 +/- 3.54   0.425% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.08 +/- 2.21   0.334% *  0.0043% (0.04   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 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 312.7:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.88 +/- 0.16  68.518% * 99.1222% (1.00  10.0 10.00   6.56 312.77) =  99.979%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  13.25 +/- 3.58   1.606% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   73 - HD3   LYS+  74   7.58 +/- 1.03   4.608% *  0.0527% (0.05   1.0 10.00   0.02  41.69) =   0.004%
          QD2   LEU  123 - HD2   LYS+ 121   8.48 +/- 0.93   3.436% *  0.0482% (0.49   1.0  1.00   0.02   2.28) =   0.002%
        T HG3   LYS+ 121 - QD    LYS+  66  15.55 +/- 4.14   1.029% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HD2   LYS+ 121  11.63 +/- 1.72   2.104% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU   73 - QD    LYS+  66  11.52 +/- 1.87   1.911% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QD    LYS+  66   9.39 +/- 3.85  10.539% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.36 +/- 2.72   0.236% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  11.45 +/- 2.49   2.314% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  17.66 +/- 5.73   0.719% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.31 +/- 1.66   1.382% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.37 +/- 2.74   0.539% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.78 +/- 2.07   0.482% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  17.62 +/- 3.59   0.577% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.994, support = 6.42, residual support = 303.6:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.38 +/- 0.15  72.203% * 80.3898% (1.00  10.0  1.00   6.45 312.77) =  96.453%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.45 +/- 1.38  11.333% * 18.7998% (0.84   1.0  1.00   5.60  53.63) =   3.540%  kept
        T HG2   GLN   30 - HD2   LYS+ 121  18.75 +/- 5.17   0.351% *  0.5522% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HB3   HIS  122 - QD    LYS+  66  10.73 +/- 4.24  10.177% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - HD3   LYS+  74  15.07 +/- 3.58   0.401% *  0.0861% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HD2   LYS+ 121  21.02 +/- 6.62   0.787% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  17.70 +/- 2.97   0.266% *  0.0687% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  14.13 +/- 4.17   1.182% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.70 +/- 2.52   0.271% *  0.0105% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.50 +/- 2.87   0.195% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  19.13 +/- 4.17   1.328% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.72 +/- 1.36   0.943% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  20.74 +/- 4.55   0.283% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.48 +/- 3.08   0.211% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  24.78 +/- 1.88   0.070% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.6:
    * O T HB2   HIS  122 - HA    HIS  122   2.56 +/- 0.23  99.291% * 99.8210% (1.00  10.0 10.00   3.44  76.58) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  15.84 +/- 0.84   0.453% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.14 +/- 2.87   0.256% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.82, residual support = 76.1:
    * O T HB3   HIS  122 - HA    HIS  122   2.75 +/- 0.32  82.726% * 87.8813% (1.00  10.0 10.00   3.83  76.58) =  98.026%  kept
          QE    LYS+ 121 - HA    HIS  122   6.24 +/- 1.34  12.154% * 12.0372% (0.84   1.0  1.00   3.28  53.63) =   1.973%  kept
          HG2   GLN   30 - HA    HIS  122  17.32 +/- 6.41   2.681% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    HIS  122  20.15 +/- 7.03   2.294% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  25.30 +/- 3.08   0.145% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.6:
    * O T HA    HIS  122 - HB2   HIS  122   2.56 +/- 0.23  97.863% * 99.8702% (1.00  10.0 10.00   3.44  76.58) =  99.999%  kept
          HA    VAL   41 - HB2   HIS  122  13.93 +/- 5.81   1.608% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB2   HIS  122  18.31 +/- 3.01   0.350% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.94 +/- 2.02   0.179% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.41, residual support = 76.5:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  95.810% * 85.9637% (1.00  10.0 10.00   4.41  76.58) =  99.677%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.67 +/- 1.48   1.908% * 13.9565% (0.84   1.0  1.00   3.89  53.63) =   0.322%  kept
          HG2   GLN   30 - HB2   HIS  122  16.64 +/- 6.18   1.744% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HB2   HIS  122  19.75 +/- 6.69   0.485% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  23.79 +/- 3.32   0.052% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.83, residual support = 76.6:
    * O T HA    HIS  122 - HB3   HIS  122   2.75 +/- 0.32  97.448% * 99.8702% (1.00  10.0 10.00   3.83  76.58) =  99.998%  kept
          HA    VAL   41 - HB3   HIS  122  13.76 +/- 5.96   1.859% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB3   HIS  122  17.78 +/- 3.00   0.453% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.33 +/- 1.98   0.239% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 76.6:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.691% * 99.8210% (1.00  10.0 10.00   4.41  76.58) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.34 +/- 1.15   0.194% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.20 +/- 2.96   0.115% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 204.8:
    * O T HB2   LEU  123 - HA    LEU  123   2.89 +/- 0.24  87.493% * 98.5720% (1.00  10.0 10.00   6.24 204.81) =  99.981%  kept
        T QD    LYS+  99 - HA    LEU  123  15.03 +/- 5.87   2.063% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 106 - HA    LEU  123  18.76 +/- 4.15   0.909% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+ 121 - HA    LEU  123   7.89 +/- 0.17   4.488% *  0.0304% (0.31   1.0  1.00   0.02   2.28) =   0.002%
          QD    LYS+  38 - HA    LEU  123  18.15 +/- 8.27   2.128% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LEU  123  21.13 +/- 5.69   0.476% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LEU  123  19.21 +/- 3.90   0.596% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  14.82 +/- 2.94   1.080% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.49 +/- 1.62   0.243% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.90 +/- 1.26   0.253% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  24.25 +/- 1.44   0.162% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.19 +/- 4.12   0.109% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 204.8:
    * O T HB3   LEU  123 - HA    LEU  123   2.58 +/- 0.13  95.650% * 99.6484% (1.00  10.0 10.00   5.50 204.81) =  99.996%  kept
          QD    LYS+  33 - HA    LEU  123  17.40 +/- 6.36   3.088% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HA    LEU  123  14.62 +/- 1.43   0.593% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LEU  123  19.63 +/- 2.50   0.317% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  21.03 +/- 1.10   0.187% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  22.87 +/- 2.84   0.165% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.38, residual support = 203.6:
    * O T HG    LEU  123 - HA    LEU  123   3.65 +/- 0.45  60.421% * 96.8427% (0.69  10.0 10.00   5.41 204.81) =  99.397%  kept
          HG3   PRO   68 - HA    LEU  123  13.30 +/- 6.89  17.325% *  1.9806% (0.92   1.0  1.00   0.30   0.02) =   0.583%  kept
          QB    LYS+  66 - HA    LEU  123  11.20 +/- 4.80  13.676% *  0.0218% (0.15   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HA    LEU  123  18.08 +/- 6.86   2.321% *  0.1024% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HB    ILE   56 - HA    LEU  123  17.03 +/- 2.23   0.838% *  0.2469% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    LEU  123  15.22 +/- 4.92   1.342% *  0.1178% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  103 - HA    LEU  123  20.72 +/- 5.76   0.585% *  0.1264% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  17.82 +/- 3.51   0.812% *  0.0742% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU  123  19.92 +/- 5.92   0.811% *  0.0580% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    LEU  123  22.32 +/- 2.50   0.338% *  0.1223% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU  123  18.22 +/- 5.88   0.929% *  0.0392% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    LEU  123  24.09 +/- 2.25   0.244% *  0.0968% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  27.86 +/- 4.79   0.249% *  0.0798% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  31.19 +/- 1.89   0.109% *  0.0912% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 204.5:
    *   T QD1   LEU  123 - HA    LEU  123   2.60 +/- 0.68  81.170% * 98.2493% (1.00 10.00   5.97 204.81) =  99.835%  kept
          QG1   VAL   70 - HA    LEU  123  10.52 +/- 4.74   8.518% *  1.4548% (0.92  1.00   0.32   0.02) =   0.155%  kept
          QD1   LEU   71 - HA    LEU  123  13.50 +/- 5.29   5.057% *  0.0982% (1.00  1.00   0.02   0.02) =   0.006%
          QG1   VAL   18 - HA    LEU  123  14.12 +/- 3.50   1.969% *  0.0821% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    LEU  123  16.79 +/- 6.02   1.002% *  0.0821% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  123  12.11 +/- 3.25   2.283% *  0.0335% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 2.92 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 = 4.92, residual support = 204.8:
    *   T QD2   LEU  123 - HA    LEU  123   2.60 +/- 0.38  96.543% * 99.9316% (1.00 10.00   4.92 204.81) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.17 +/- 0.49   2.674% *  0.0486% (0.49  1.00   0.02   2.28) =   0.001%
          HB3   LEU  104 - HA    LEU  123  16.79 +/- 6.02   0.783% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 204.8:
    * O T HA    LEU  123 - HB2   LEU  123   2.89 +/- 0.24  93.366% * 98.7431% (1.00  10.0 10.00   6.24 204.81) =  99.991%  kept
        T HA    LYS+  99 - HB2   LEU  123  18.47 +/- 5.23   0.564% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   56 - HB2   LEU  123  15.90 +/- 2.05   0.809% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LEU  123  13.23 +/- 1.69   1.243% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB2   LEU  123  20.87 +/- 7.03   0.571% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  16.68 +/- 6.28   1.000% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  13.95 +/- 1.60   1.024% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  22.49 +/- 6.59   0.802% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  19.60 +/- 4.90   0.622% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.55, residual support = 204.8:
    * O T HG    LEU  123 - HB2   LEU  123   2.36 +/- 0.19  92.320% * 97.8726% (0.69  10.0 10.00   5.55 204.81) =  99.989%  kept
        T QB    LYS+ 106 - HB2   LEU  123  16.91 +/- 3.21   0.365% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HB2   LEU  123  14.46 +/- 6.06   1.925% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - HB2   LEU  123  18.48 +/- 5.19   0.359% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB2   LEU  123  14.37 +/- 4.66   0.683% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   LEU  123  19.24 +/- 6.04   0.724% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LEU  123  11.93 +/- 4.18   2.177% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HB2   LEU  123  20.37 +/- 5.26   0.255% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  19.66 +/- 5.41   0.368% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  21.60 +/- 2.38   0.145% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.09 +/- 2.57   0.115% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.96 +/- 2.33   0.415% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  27.57 +/- 4.73   0.100% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  30.35 +/- 1.65   0.047% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 204.8:
    * O T QD1   LEU  123 - HB2   LEU  123   2.68 +/- 0.29  90.394% * 99.6081% (1.00  10.0 10.00   5.98 204.81) =  99.991%  kept
          QG1   VAL   70 - HB2   LEU  123  11.14 +/- 4.26   3.412% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HB2   LEU  123  14.22 +/- 4.92   2.401% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HB2   LEU  123  14.61 +/- 3.70   1.555% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  16.42 +/- 5.52   0.767% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  12.34 +/- 2.96   1.471% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 5.01, residual support = 203.7:
    * O T QD2   LEU  123 - HB2   LEU  123   2.98 +/- 0.30  94.010% * 90.9126% (1.00  10.0 10.00   5.04 204.81) =  99.474%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.42 +/- 0.77   4.980% *  9.0694% (0.49   1.0 10.00   0.41   2.28) =   0.526%  kept
          HB3   LEU  104 - HB2   LEU  123  16.42 +/- 5.52   1.010% *  0.0180% (0.20   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 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 204.8:
    * O T HA    LEU  123 - HG    LEU  123   3.65 +/- 0.45  85.764% * 99.5102% (0.69  10.0 10.00   5.41 204.81) =  99.990%  kept
          HA    ILE   56 - HG    LEU  123  14.56 +/- 2.42   2.193% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HG    LEU  123  16.89 +/- 6.13   2.647% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU  123  12.53 +/- 1.60   2.539% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HG    LEU  123  12.43 +/- 1.89   2.715% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  21.38 +/- 6.77   0.946% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU  123  19.05 +/- 4.95   0.904% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG    LEU  123  22.34 +/- 6.47   1.194% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  19.58 +/- 4.85   1.097% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.55, residual support = 204.8:
    * O T HB2   LEU  123 - HG    LEU  123   2.36 +/- 0.19  91.662% * 96.6014% (0.69  10.0 10.00   5.55 204.81) =  99.988%  kept
        T QD    LYS+  65 - HG    LEU  123  14.11 +/- 2.77   0.730% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   93 - HG    LEU  123  19.51 +/- 2.05   0.189% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG    LEU  123  18.41 +/- 1.66   0.206% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG    LEU  123  21.65 +/- 4.77   0.192% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG    LEU  123  18.86 +/- 4.46   2.030% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG    LEU  123   7.92 +/- 0.61   2.658% *  0.0298% (0.21   1.0  1.00   0.02   2.28) =   0.001%
          QD    LYS+  38 - HG    LEU  123  19.53 +/- 7.31   0.795% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  16.08 +/- 4.82   0.788% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  18.05 +/- 3.65   0.548% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  22.46 +/- 1.87   0.117% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  27.10 +/- 3.88   0.086% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 204.8:
    * O T HB3   LEU  123 - HG    LEU  123   2.64 +/- 0.15  96.592% * 97.8109% (0.69  10.0 10.00   5.12 204.81) =  99.982%  kept
        T QD    LYS+  33 - HG    LEU  123  18.93 +/- 5.41   1.243% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.013%
        T HD3   LYS+ 111 - HG    LEU  123  18.57 +/- 1.57   0.317% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG    LEU  123  13.01 +/- 1.92   1.085% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   ARG+  54 - HG    LEU  123  20.64 +/- 3.00   0.271% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  18.89 +/- 3.18   0.492% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.54, residual support = 204.8:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  92.852% * 99.6081% (0.69  10.0 10.00   5.55 204.81) =  99.994%  kept
          QG1   VAL   70 - HG    LEU  123  10.74 +/- 4.36   3.420% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HG    LEU  123  14.32 +/- 4.82   1.356% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU  123  14.37 +/- 3.72   0.702% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  123  11.33 +/- 3.34   1.384% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HG    LEU  123  17.16 +/- 5.09   0.286% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.6, residual support = 204.8:
    * O T QD2   LEU  123 - HG    LEU  123   2.10 +/- 0.02  98.576% * 99.9316% (0.69  10.0 10.00   4.60 204.81) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.58 +/- 0.69   1.123% *  0.0486% (0.33   1.0  1.00   0.02   2.28) =   0.001%
          HB3   LEU  104 - HG    LEU  123  17.16 +/- 5.09   0.301% *  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 = 5.97, residual support = 204.8:
    *   T HA    LEU  123 - QD1   LEU  123   2.60 +/- 0.68  86.192% * 99.5102% (1.00 10.00   5.97 204.81) =  99.991%  kept
          HA    ILE   56 - QD1   LEU  123  11.75 +/- 2.08   1.997% *  0.0975% (0.98  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QD1   LEU  123  13.40 +/- 4.85   2.863% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - QD1   LEU  123   9.66 +/- 1.67   2.949% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD1   LEU  123  10.64 +/- 0.94   2.084% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU  123  17.17 +/- 5.45   0.948% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  15.24 +/- 4.15   1.018% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QD1   LEU  123  18.11 +/- 5.08   0.985% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.67 +/- 3.70   0.965% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.97, residual support = 203.7:
    * O T HB2   LEU  123 - QD1   LEU  123   2.68 +/- 0.29  79.241% * 94.6212% (1.00  10.0 10.00   5.98 204.81) =  99.472%  kept
          HB2   LYS+ 121 - QD1   LEU  123   6.10 +/- 0.75   8.199% *  4.7691% (0.31   1.0  1.00   3.27   2.28) =   0.519%  kept
          HB2   LEU   73 - QD1   LEU  123  15.14 +/- 3.13   2.664% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - QD1   LEU  123  15.70 +/- 5.89   2.220% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU  123  14.72 +/- 3.26   2.235% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  12.89 +/- 4.05   1.599% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD1   LEU  123  11.11 +/- 2.39   1.917% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU  123  15.91 +/- 1.62   0.475% *  0.0944% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU  123  15.48 +/- 0.99   0.484% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  123  17.64 +/- 3.86   0.467% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU  123  18.36 +/- 1.49   0.288% *  0.0758% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.09 +/- 3.12   0.210% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 204.8:
    * O T HB3   LEU  123 - QD1   LEU  123   2.92 +/- 0.39  89.677% * 99.6484% (1.00  10.0 10.00   5.63 204.81) =  99.990%  kept
          QD    LYS+  33 - QD1   LEU  123  15.16 +/- 4.41   5.307% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   57 - QD1   LEU  123  10.38 +/- 1.43   2.840% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - QD1   LEU  123  15.64 +/- 0.94   0.657% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  15.16 +/- 2.05   0.781% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  16.86 +/- 2.35   0.737% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.54, residual support = 204.8:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  78.862% * 98.8924% (0.69  10.0 10.00   5.55 204.81) =  99.985%  kept
          HG3   PRO   68 - QD1   LEU  123  10.67 +/- 4.79   4.430% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.008%
          QB    LYS+  66 - QD1   LEU  123   8.38 +/- 3.63  12.601% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD1   LEU  123  11.95 +/- 3.57   0.689% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   LEU  123  15.75 +/- 4.69   0.584% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  13.87 +/- 2.68   0.520% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD1   LEU  123  16.87 +/- 4.01   0.260% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  16.39 +/- 2.27   0.220% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.20 +/- 4.10   0.352% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  11.92 +/- 2.26   0.794% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.90 +/- 2.04   0.153% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.89 +/- 4.03   0.344% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  21.91 +/- 4.05   0.136% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.26 +/- 1.66   0.055% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 204.8:
    * O T QD2   LEU  123 - QD1   LEU  123   2.06 +/- 0.06  97.129% * 99.7540% (1.00  10.0 10.00   4.99 204.81) =  99.998%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.57 +/- 0.93   2.339% *  0.0486% (0.49   1.0  1.00   0.02   2.28) =   0.001%
        T HB3   LEU  104 - QD1   LEU  123  13.84 +/- 4.28   0.532% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 204.8:
    *   T HA    LEU  123 - QD2   LEU  123   2.60 +/- 0.38  88.460% * 99.5102% (1.00 10.00   4.92 204.81) =  99.993%  kept
          HA    LEU   40 - QD2   LEU  123  14.41 +/- 5.74   4.139% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - QD2   LEU  123  12.97 +/- 2.23   1.011% *  0.0975% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  17.81 +/- 6.26   0.819% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD2   LEU  123  10.71 +/- 1.73   1.892% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD2   LEU  123  16.44 +/- 4.63   0.714% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD2   LEU  123  11.79 +/- 1.16   1.131% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD2   LEU  123  15.92 +/- 4.70   0.932% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  18.22 +/- 5.94   0.902% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 204.8:
    * O T HB2   LEU  123 - QD2   LEU  123   2.98 +/- 0.30  81.135% * 99.0560% (1.00  10.0 10.00   5.04 204.81) =  99.971%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.72 +/- 0.88   4.961% *  0.3057% (0.31   1.0 10.00   0.02   2.28) =   0.019%
          HB2   LEU   73 - QD2   LEU  123  16.17 +/- 3.88   4.036% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  38 - QD2   LEU  123  16.24 +/- 6.74   2.187% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QD2   LEU  123  11.57 +/- 2.54   2.399% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  13.87 +/- 4.43   1.771% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD2   LEU  123  16.15 +/- 3.29   1.459% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU  123  17.31 +/- 2.01   0.508% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  18.74 +/- 4.29   0.541% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  16.77 +/- 1.35   0.504% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU  123  19.86 +/- 1.85   0.303% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.34 +/- 3.78   0.195% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 204.8:
    * O T HB3   LEU  123 - QD2   LEU  123   2.36 +/- 0.44  93.411% * 99.6484% (1.00  10.0 10.00   4.59 204.81) =  99.994%  kept
          QD    LYS+  33 - QD2   LEU  123  15.61 +/- 5.00   3.076% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   57 - QD2   LEU  123  11.25 +/- 1.59   1.252% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD2   LEU  123  16.14 +/- 2.70   1.567% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - QD2   LEU  123  16.90 +/- 1.17   0.370% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  17.74 +/- 2.75   0.325% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.6, residual support = 204.8:
    * O T HG    LEU  123 - QD2   LEU  123   2.10 +/- 0.02  81.984% * 98.6685% (0.69  10.0 10.00   4.60 204.81) =  99.978%  kept
          HG3   PRO   68 - QD2   LEU  123  11.23 +/- 5.24   9.693% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.016%
        T HB    ILE   56 - QD2   LEU  123  13.26 +/- 2.44   0.513% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD2   LEU  123   8.94 +/- 3.66   5.156% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD2   LEU  123  16.27 +/- 5.34   0.578% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  13.59 +/- 3.74   0.448% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD2   LEU  123  17.31 +/- 2.58   0.207% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.32 +/- 4.35   0.192% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  15.34 +/- 2.69   0.300% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.63 +/- 4.54   0.250% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.11 +/- 4.68   0.360% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.12 +/- 2.32   0.129% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  22.93 +/- 4.68   0.141% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  25.61 +/- 2.30   0.050% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 204.8:
    * O T QD1   LEU  123 - QD2   LEU  123   2.06 +/- 0.06  88.384% * 99.6081% (1.00  10.0 10.00   4.99 204.81) =  99.989%  kept
          QG1   VAL   70 - QD2   LEU  123   9.08 +/- 4.01   5.822% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   18 - QD2   LEU  123  11.85 +/- 3.64   2.114% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU  123  12.12 +/- 4.42   1.736% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QD2   LEU  123   9.89 +/- 2.95   1.603% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU  123  15.24 +/- 4.53   0.341% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.12:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  82.093% * 97.4620% (1.00  10.0 10.00   1.00   9.12) =  99.993%  kept
        T HB2   LEU   31 - HA    ALA  124  21.21 +/- 7.01   0.297% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   31 - HA    ALA   34   7.38 +/- 0.49   2.076% *  0.0730% (0.07   1.0 10.00   0.02  14.95) =   0.002%
        T QB    ALA   84 - HA    ALA  124  27.35 +/- 3.26   0.048% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA  124 - HA    ALA   34  16.76 +/- 6.49   0.381% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ALA  124  15.46 +/- 2.55   0.259% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   9.11 +/- 3.27   5.279% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  20.56 +/- 5.79   0.153% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.60 +/- 1.23   5.092% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.03 +/- 3.30   0.107% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  21.99 +/- 3.30   0.093% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  11.04 +/- 1.98   0.830% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  18.70 +/- 7.05   0.302% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.97 +/- 1.85   0.071% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  20.84 +/- 9.01   0.233% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.46 +/- 1.67   0.075% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  21.13 +/- 4.62   0.118% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  21.90 +/- 3.99   0.202% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.31 +/- 1.83   0.106% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.40 +/- 4.80   0.032% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  15.89 +/- 2.11   0.239% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  23.63 +/- 7.01   0.116% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  17.26 +/- 1.63   0.170% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  12.88 +/- 3.66   0.652% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  21.94 +/- 2.55   0.112% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.78 +/- 2.97   0.497% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  23.40 +/- 5.61   0.104% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.33 +/- 1.70   0.167% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  26.54 +/- 2.18   0.046% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  25.84 +/- 2.23   0.050% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.12:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  98.144% * 98.8388% (1.00  10.0 10.00   1.00   9.12) =  99.996%  kept
        T HA    ASN   28 - QB    ALA  124  19.67 +/- 5.90   0.303% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ALA   34 - QB    ALA  124  16.76 +/- 6.49   0.456% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA  124  18.72 +/- 7.51   0.348% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.20 +/- 1.39   0.389% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.66 +/- 1.69   0.117% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.17 +/- 3.88   0.054% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  20.52 +/- 6.40   0.190% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 204.8:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.057% * 97.4949% (1.00  10.0 10.00   5.62 204.81) =  99.994%  kept
        T QD    LYS+  33 - HB2   LEU  123  18.60 +/- 5.68   0.457% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HB2   LEU  123  19.07 +/- 1.68   0.083% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB2   LEU  123  19.86 +/- 2.94   0.119% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  14.24 +/- 1.65   0.223% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  22.14 +/- 2.69   0.060% *  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 = 5.62, residual support = 204.8:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.510% * 96.4170% (0.99  10.0 10.00   5.62 204.81) =  99.995%  kept
        T QD    LYS+  38 - HB3   LEU  123  19.74 +/- 7.79   0.307% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB3   LEU  123  22.03 +/- 5.37   0.087% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB3   LEU  123  15.56 +/- 2.84   0.197% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  19.94 +/- 1.38   0.070% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.38 +/- 0.57   0.961% *  0.0365% (0.38   1.0  1.00   0.02   2.28) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  20.31 +/- 4.23   0.326% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  28.94 +/- 4.01   0.026% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  16.24 +/- 5.33   0.266% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  19.09 +/- 3.81   0.154% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.46 +/- 1.68   0.058% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  24.29 +/- 1.57   0.038% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 204.8:
    * O T QD1   LEU  123 - HB3   LEU  123   2.92 +/- 0.39  89.671% * 99.6081% (1.00  10.0 10.00   5.63 204.81) =  99.990%  kept
          QG1   VAL   70 - HB3   LEU  123  11.78 +/- 4.50   3.566% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HB3   LEU  123  15.08 +/- 4.00   2.854% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HB3   LEU  123  14.85 +/- 5.13   1.795% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB3   LEU  123  17.60 +/- 5.70   0.698% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  13.13 +/- 3.20   1.415% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 204.8:
    * O T QD2   LEU  123 - HB3   LEU  123   2.36 +/- 0.44  97.314% * 99.9316% (1.00  10.0 10.00   4.59 204.81) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.64 +/- 0.58   2.084% *  0.0486% (0.49   1.0  1.00   0.02   2.28) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.60 +/- 5.70   0.602% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.1, residual support = 204.0:
    * O T HG    LEU  123 - HB3   LEU  123   2.64 +/- 0.15  88.357% * 89.8877% (0.69  10.0 10.00   5.12 204.81) =  99.624%  kept
        T HG3   PRO   68 - HB3   LEU  123  14.76 +/- 6.47   3.880% *  7.3496% (0.92   1.0 10.00   0.12   0.02) =   0.358%  kept
        T QB    LYS+  33 - HB3   LEU  123  19.81 +/- 6.31   0.979% *  0.9502% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   ARG+  54 - HB3   LEU  123  22.14 +/- 2.52   0.183% *  1.1351% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HB3   LEU  123  12.25 +/- 4.46   3.666% *  0.0202% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HB3   LEU  123  15.66 +/- 4.74   0.677% *  0.1093% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HB3   LEU  123  21.62 +/- 5.38   0.304% *  0.1174% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  18.08 +/- 3.22   0.381% *  0.0688% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  20.89 +/- 5.57   0.430% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  23.87 +/- 2.44   0.144% *  0.0899% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.65 +/- 5.38   0.339% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.79 +/- 2.39   0.472% *  0.0229% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  28.46 +/- 5.00   0.133% *  0.0741% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  31.44 +/- 1.87   0.057% *  0.0847% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 204.8:
    * O T HA    LEU  123 - HB3   LEU  123   2.58 +/- 0.13  95.536% * 99.5102% (1.00  10.0 10.00   5.50 204.81) =  99.997%  kept
          HA    LEU   40 - HB3   LEU  123  17.67 +/- 6.51   0.832% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.60 +/- 2.03   0.446% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  21.58 +/- 7.25   0.436% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   LEU  123  14.03 +/- 1.26   0.685% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  19.54 +/- 5.49   0.377% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.37 +/- 1.63   0.648% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  22.71 +/- 6.98   0.610% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  19.91 +/- 5.27   0.430% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.969, support = 5.63, residual support = 312.8:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  83.697% * 76.1572% (1.00  10.0   5.56 312.77) =  95.471%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.70 +/- 0.54  12.859% * 23.5057% (0.31  10.0   7.05 312.77) =   4.527%  kept
          HG    LEU  104 - HD3   LYS+ 121  10.49 +/- 5.95   1.719% *  0.0235% (0.31   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HD3   LYS+ 121  17.74 +/- 4.79   0.241% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  15.49 +/- 4.09   0.285% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  13.13 +/- 5.58   0.788% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.82 +/- 1.93   0.077% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  19.21 +/- 3.46   0.096% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  14.85 +/- 2.37   0.171% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.28 +/- 2.93   0.067% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 312.7:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.71 +/- 0.30  67.668% * 99.7211% (1.00  10.0   6.28 312.77) =  99.973%  kept
          HG13  ILE  103 - HD3   LYS+ 121  13.37 +/- 6.38  20.817% *  0.0485% (0.49   1.0   0.02   0.02) =   0.015%
          QB    ALA   20 - HD3   LYS+ 121  17.26 +/- 5.09   6.285% *  0.0799% (0.80   1.0   0.02   0.02) =   0.007%
          QG2   VAL  107 - HD3   LYS+ 121   9.60 +/- 2.15   2.511% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD3   LYS+ 121   9.76 +/- 0.96   1.881% *  0.0308% (0.31   1.0   0.02   6.81) =   0.001%
          HB3   LEU   31 - HD3   LYS+ 121  17.25 +/- 6.57   0.838% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 312.7:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.51 +/- 0.28  93.985% * 98.9917% (1.00  10.0 10.00   5.98 312.77) =  99.985%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.46 +/- 1.81   1.473% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.010%
        T QD2   LEU   73 - HD3   LYS+ 121  13.66 +/- 3.83   1.200% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - HD3   LYS+ 121   9.22 +/- 1.13   2.586% *  0.0482% (0.49   1.0  1.00   0.02   2.28) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  17.75 +/- 6.17   0.755% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.11, residual support = 312.7:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.36 +/- 0.31  81.905% * 99.2313% (1.00  10.0  1.00   7.11 312.77) =  99.987%  kept
          QD    LYS+ 102 - HD3   LYS+ 121  14.87 +/- 5.82   4.925% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU  123 - HD3   LYS+ 121   8.74 +/- 1.30   7.201% *  0.0306% (0.31   1.0  1.00   0.02   2.28) =   0.003%
        T HD3   LYS+ 111 - HD3   LYS+ 121  17.14 +/- 2.41   0.735% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - HD3   LYS+ 121  17.14 +/- 6.60   1.607% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HD3   LYS+ 121  17.52 +/- 1.95   0.777% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  15.33 +/- 2.29   1.584% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  19.50 +/- 2.70   0.487% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.91 +/- 4.61   0.281% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.93 +/- 1.54   0.498% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 309.9:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.35 +/- 0.15  93.310% * 83.7315% (1.00  10.0   5.75 312.77) =  98.910%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.38 +/- 1.35   5.327% * 16.1605% (0.84   1.0   4.62  53.63) =   1.090%  kept
          HB3   ASN   28 - HD3   LYS+ 121  21.08 +/- 7.11   0.941% *  0.0375% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  19.07 +/- 5.57   0.342% *  0.0575% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  25.37 +/- 1.99   0.080% *  0.0129% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 6.61, residual support = 306.9:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   3.92 +/- 0.77  59.146% * 88.0765% (1.00 10.00   6.68 312.77) =  98.122%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.61 +/- 1.07   8.691% * 11.1947% (0.76  1.00   3.33   2.67) =   1.833%  kept
          QB    SER  117 - HD3   LYS+ 121   6.82 +/- 1.92  25.986% *  0.0736% (0.84  1.00   0.02   0.02) =   0.036%
        T HA    LYS+  65 - HD3   LYS+ 121  18.22 +/- 1.96   0.861% *  0.3004% (0.34 10.00   0.02   0.02) =   0.005%
          HB    THR   94 - HD3   LYS+ 121  16.82 +/- 2.37   1.056% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  13.27 +/- 1.12   2.065% *  0.0245% (0.28  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD3   LYS+ 121  19.46 +/- 4.71   1.158% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 121  23.22 +/- 2.89   0.409% *  0.0833% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+ 121  25.61 +/- 2.45   0.357% *  0.0873% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  26.19 +/- 3.43   0.272% *  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 = 7.71, residual support = 312.7:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.70 +/- 0.18  84.110% * 99.7211% (0.84  10.0 10.00   7.71 312.77) =  99.990%  kept
          HG13  ILE  103 - HB3   LYS+ 121  13.91 +/- 5.72   5.137% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL  107 - HB3   LYS+ 121   9.05 +/- 1.97   2.698% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   20 - HB3   LYS+ 121  16.49 +/- 4.51   2.479% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HB3   LYS+ 121   7.76 +/- 0.53   3.818% *  0.0308% (0.26   1.0  1.00   0.02   6.81) =   0.001%
          HB3   LEU   31 - HB3   LYS+ 121  16.97 +/- 5.83   1.758% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.03, residual support = 312.4:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.51 +/- 0.28  90.750% * 97.2843% (0.84  10.0 10.00   7.04 312.77) =  99.867%  kept
          QD2   LEU  123 - HB3   LYS+ 121   7.89 +/- 0.84   4.817% *  2.3032% (0.41   1.0  1.00   0.97   2.28) =   0.126%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  13.00 +/- 3.34   1.590% *  0.3318% (0.28   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - HB3   LYS+ 121  11.15 +/- 1.72   1.496% *  0.0590% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  17.34 +/- 5.83   1.347% *  0.0217% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.78, residual support = 312.8:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  97.227% * 97.1314% (0.84  10.0 10.00   8.78 312.77) =  99.994%  kept
        T QD    LYS+  38 - HB3   LYS+ 121  17.37 +/- 6.23   0.245% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB3   LYS+ 121  15.98 +/- 1.86   0.150% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB3   LYS+ 121  15.98 +/- 5.18   0.247% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+ 121   7.17 +/- 0.70   1.518% *  0.0300% (0.26   1.0  1.00   0.02   2.28) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  16.40 +/- 1.97   0.136% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  14.00 +/- 1.24   0.215% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.21 +/- 2.53   0.105% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.10 +/- 4.41   0.053% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.67 +/- 1.67   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 = 0.805, support = 6.69, residual support = 256.8:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.90 +/- 0.40  65.224% * 59.2637% (0.84  1.00   7.00 312.77) =  78.403%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.70 +/- 0.93  26.913% * 39.4717% (0.70  1.00   5.58  53.63) =  21.547%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  18.51 +/- 5.52   1.748% *  1.1626% (0.57 10.00   0.02   0.02) =   0.041%
          HB3   ASN   28 - HB3   LYS+ 121  20.72 +/- 6.60   5.807% *  0.0759% (0.37  1.00   0.02   0.02) =   0.009%
          HB3   ASP-  78 - HB3   LYS+ 121  24.27 +/- 2.65   0.309% *  0.0261% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.831, support = 8.16, residual support = 306.7:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.73 +/- 0.23  79.482% * 83.4619% (0.84  10.0 10.00   8.24 312.77) =  98.028%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.97 +/- 0.33   8.347% * 14.9974% (0.64   1.0  1.00   4.70   2.67) =   1.850%  kept
          QB    SER  117 - HB3   LYS+ 121   6.32 +/- 1.31   8.703% *  0.9198% (0.70   1.0  1.00   0.26   0.02) =   0.118%  kept
        T HA    LYS+  65 - HB3   LYS+ 121  16.72 +/- 2.06   0.447% *  0.2847% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB3   LYS+ 121  16.14 +/- 2.44   0.512% *  0.0827% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB3   LYS+ 121  11.60 +/- 1.58   1.516% *  0.0232% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB3   LYS+ 121  22.08 +/- 3.27   0.249% *  0.0790% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  18.63 +/- 4.07   0.480% *  0.0343% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.07 +/- 1.97   0.128% *  0.0827% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  25.62 +/- 3.64   0.135% *  0.0343% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.789, support = 8.61, residual support = 312.8:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  69.354% * 55.3563% (0.84  10.0 10.00   8.78 312.77) =  75.472%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.54 +/- 0.56  29.095% * 42.8727% (0.65  10.0 10.00   8.06 312.77) =  24.521%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.76 +/- 4.03   0.369% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.70 +/- 2.11   0.099% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.49 +/- 2.81   0.075% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  11.54 +/- 5.29   0.544% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  17.59 +/- 3.03   0.099% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.96 +/- 2.05   0.162% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  16.87 +/- 4.38   0.202% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.754, support = 7.96, residual support = 307.8:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.73 +/- 0.23  36.250% * 52.0655% (0.84  10.0 10.00   8.24 312.77) =  66.114%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.50 +/- 0.68  21.924% * 40.3240% (0.65   1.0 10.00   7.62 312.77) =  30.969%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.10 +/- 0.88  32.468% *  2.2150% (0.04  10.0 10.00   5.27 159.15) =   2.519%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.49 +/- 0.80   2.859% *  3.7757% (0.06   1.0 10.00   5.66  30.19) =   0.378%  kept
        T QD    LYS+  66 - HA    LYS+ 121  14.63 +/- 4.33   0.603% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+  65 - HA    LYS+ 121  18.21 +/- 2.19   0.146% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+  65   9.25 +/- 2.90   1.771% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+ 121  20.60 +/- 2.78   0.095% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  12.75 +/- 5.86   0.727% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  18.06 +/- 4.87   0.394% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.48 +/- 1.66   0.208% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.72 +/- 2.06   0.166% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.22 +/- 2.03   0.155% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  19.73 +/- 3.03   0.128% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.75 +/- 3.99   0.726% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.74 +/- 2.20   1.171% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  20.26 +/- 2.70   0.103% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.62 +/- 1.91   0.108% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.984, support = 6.65, residual support = 310.2:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   3.92 +/- 0.77  27.242% * 97.6597% (1.00   1.0 10.00   6.68 312.77) =  98.369%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.40 +/- 0.37  35.878% *  1.2130% (0.01  10.0 10.00   5.27 159.15) =   1.609%  kept
        T HG3   LYS+  33 - HA    LYS+ 121  19.09 +/- 5.89   0.590% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.005%
          QB    LEU   98 - HA    LYS+ 121  13.88 +/- 4.64   0.828% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE   19 - HA    LYS+ 121  18.61 +/- 5.94   1.081% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    LYS+ 121  17.97 +/- 2.37   0.283% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+ 121  21.65 +/- 5.49   0.522% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  19.59 +/- 3.33   0.300% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  13.22 +/- 4.93   1.477% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   5.42 +/- 1.30  13.862% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    LYS+ 121  15.09 +/- 1.50   0.480% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  14.13 +/- 1.08   0.571% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  18.22 +/- 1.96   0.256% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+  65   9.64 +/- 1.96   2.338% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  15.58 +/- 4.25   0.650% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.58 +/- 4.40   0.096% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.17 +/- 0.92   6.487% *  0.0012% (0.01   1.0  1.00   0.02   0.14) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.04 +/- 4.24   0.421% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  18.47 +/- 3.73   0.420% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  26.80 +/- 5.55   0.112% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  14.85 +/- 5.88   1.267% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  18.69 +/- 4.06   0.562% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  17.89 +/- 5.09   0.600% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.30 +/- 1.81   0.393% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  19.37 +/- 4.57   0.550% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.40 +/- 1.51   1.215% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.34 +/- 1.80   0.393% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  11.65 +/- 1.42   1.127% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.31, residual support = 224.0:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  90.436% * 92.4758% (1.00  10.0 10.00   6.31 224.55) =  99.737%  kept
          QB    GLU- 114 - HB3   LEU  115   5.41 +/- 0.51   3.419% *  6.3137% (0.31   1.0  1.00   4.42  21.40) =   0.257%  kept
        T HB2   LEU   67 - HB3   LEU  115  14.14 +/- 2.09   0.237% *  0.7405% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - HB3   LEU  115   9.63 +/- 2.53   1.194% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HB3   LEU   40   8.95 +/- 1.83   1.103% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  16.64 +/- 2.93   0.156% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.97 +/- 3.73   0.348% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.03 +/- 4.95   0.186% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.29 +/- 1.98   0.261% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  16.16 +/- 2.45   0.148% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.32 +/- 5.43   0.732% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.48 +/- 3.18   0.937% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  10.24 +/- 1.61   0.591% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  19.87 +/- 2.31   0.077% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  17.10 +/- 2.18   0.119% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.64 +/- 3.73   0.055% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 7.17, residual support = 237.6:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  96.204% * 98.3538% (1.00  10.0 10.00   7.17 237.63) =  99.996%  kept
        T HB    VAL   42 - HB3   LYS+ 112  16.25 +/- 2.42   0.151% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HB3   LYS+ 112   9.17 +/- 2.86   1.684% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HB3   LYS+ 112  17.71 +/- 6.20   0.588% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HB3   LYS+ 112  16.19 +/- 2.42   0.168% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.43 +/- 1.31   0.131% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  16.90 +/- 2.90   0.178% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  12.28 +/- 3.21   0.513% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  25.79 +/- 1.52   0.031% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  26.09 +/- 4.94   0.056% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.30 +/- 1.67   0.116% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  26.54 +/- 2.63   0.032% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  18.40 +/- 1.26   0.088% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.17 +/- 2.06   0.060% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.907, support = 4.55, residual support = 237.4:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  77.309% * 54.1525% (0.95  10.0   4.33 237.63) =  82.872%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.09 +/- 0.65  20.779% * 41.3849% (0.72  10.0   5.62 237.63) =  17.023%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.07 +/- 1.23   1.213% *  4.3489% (0.36   1.0   4.28  28.51) =   0.104%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.35 +/- 2.20   0.529% *  0.0434% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  21.06 +/- 4.88   0.076% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  18.02 +/- 2.84   0.094% *  0.0167% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 6.78, residual support = 312.2:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  72.752% * 97.3629% (1.00  10.0   6.83 314.61) =  99.228%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.42 +/- 1.34  26.635% *  2.0671% (0.57   1.0   0.75   0.12) =   0.771%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.29 +/- 1.22   0.297% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  26.15 +/- 4.43   0.034% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  22.74 +/- 2.55   0.037% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  25.21 +/- 3.21   0.029% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.48 +/- 3.69   0.049% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  28.39 +/- 4.16   0.027% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  21.62 +/- 2.82   0.045% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  24.73 +/- 3.09   0.037% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  23.76 +/- 2.29   0.035% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.86 +/- 1.84   0.023% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 60.1:
    * O T QG1   VAL  107 - HA    VAL  107   2.49 +/- 0.44  91.902% * 99.7711% (1.00  10.0 10.00   4.60  60.11) =  99.997%  kept
          QG1   VAL   24 - HA    VAL  107  18.61 +/- 4.28   1.399% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    VAL  107  11.70 +/- 1.30   1.234% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HA    VAL  107  17.63 +/- 4.32   2.975% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.94 +/- 2.13   1.099% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  13.46 +/- 3.48   1.067% *  0.0154% (0.15   1.0  1.00   0.02   0.12) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.48 +/- 3.50   0.324% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 60.1:
    * O T QG2   VAL  107 - HA    VAL  107   2.43 +/- 0.28  95.747% * 99.7501% (1.00  10.0 10.00   3.62  60.11) =  99.997%  kept
          HG2   LYS+ 121 - HA    VAL  107  12.04 +/- 3.49   1.384% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    VAL  107  11.08 +/- 1.55   1.196% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    VAL  107  18.32 +/- 2.86   0.343% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.94 +/- 2.13   1.094% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.48 +/- 3.50   0.236% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.27, residual support = 40.9:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.92 +/- 0.15  64.510% * 83.9289% (1.00  10.0 10.00   3.21  41.90) =  94.582%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.38 +/- 0.25  20.039% * 15.4366% (0.87   1.0  1.00   4.24  23.78) =   5.404%  kept
          HB    ILE  103 - HA    ASP- 105   6.53 +/- 0.85   6.680% *  0.0832% (0.99   1.0  1.00   0.02   3.18) =   0.010%
          HG2   ARG+  54 - HA    ASP- 105  23.38 +/- 4.35   0.799% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.45 +/- 0.65   4.307% *  0.0129% (0.15   1.0  1.00   0.02   3.18) =   0.001%
          QB    LYS+  33 - HA    ASP- 105  17.26 +/- 2.48   0.416% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  19.42 +/- 3.49   0.351% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    ASP- 105  17.16 +/- 2.70   0.558% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  21.19 +/- 4.03   0.577% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  22.49 +/- 3.17   0.169% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  17.23 +/- 3.79   0.437% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  22.70 +/- 1.81   0.145% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  17.34 +/- 3.62   0.732% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  18.80 +/- 2.51   0.281% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.38, residual support = 41.9:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.017% * 99.5527% (0.95  10.0 10.00   3.38  41.90) =  99.998%  kept
          HB2   MET   96 - HB3   ASP- 105   8.75 +/- 1.27   1.331% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  12.62 +/- 1.38   0.294% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  11.33 +/- 3.17   0.557% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  19.61 +/- 4.06   0.183% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  13.16 +/- 2.37   0.335% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.74 +/- 1.48   0.101% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  20.93 +/- 1.36   0.059% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.58 +/- 2.95   0.122% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.04, residual support = 141.8:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  48.012% * 66.9933% (1.00  10.0  1.00   4.90 135.64) =  67.310%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  48.012% * 32.5339% (0.49  10.0  1.00   5.33 154.56) =  32.688%  kept
          QG    LYS+  81 - HG3   LYS+  65  19.27 +/- 6.11   2.417% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG3   LYS+ 106  13.06 +/- 2.45   0.156% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65   9.99 +/- 3.14   0.615% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.10 +/- 1.50   0.234% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  19.67 +/- 3.03   0.042% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  18.93 +/- 2.34   0.046% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  19.71 +/- 2.06   0.038% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.47 +/- 3.89   0.065% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.93 +/- 5.78   0.030% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.43 +/- 2.84   0.037% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  16.88 +/- 2.98   0.078% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  19.06 +/- 2.74   0.047% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.95 +/- 2.25   0.023% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.60 +/- 3.20   0.050% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  24.72 +/- 4.17   0.023% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.51 +/- 1.93   0.040% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  26.54 +/- 2.21   0.015% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.66 +/- 2.82   0.019% *  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 = 4.3, residual support = 137.7:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  93.437% * 81.2650% (0.80  10.0 10.00   4.30 138.50) =  99.264%  kept
          QB    LYS+ 102 - HG13  ILE  103   5.83 +/- 0.71   3.073% * 18.2206% (0.73   1.0  1.00   4.94  23.51) =   0.732%  kept
          HB    VAL   41 - HG13  ILE  103   7.27 +/- 1.96   2.456% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG13  ILE  103  12.93 +/- 3.61   0.518% *  0.0575% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  17.75 +/- 2.99   0.126% *  0.1013% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  17.14 +/- 1.75   0.111% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  20.18 +/- 4.96   0.129% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.54 +/- 2.32   0.094% *  0.0616% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.89 +/- 2.75   0.056% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.65, residual support = 186.8:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  88.147% * 99.4757% (0.80  10.0   5.65 186.77) =  99.994%  kept
          HG    LEU   67 - HB3   LYS+  74  10.21 +/- 3.60   6.524% *  0.0310% (0.25   1.0   0.02   0.02) =   0.002%
          QG2   THR   26 - HB3   LYS+  74  10.27 +/- 4.24   2.564% *  0.0654% (0.53   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HB3   LYS+  74  12.81 +/- 3.17   0.442% *  0.1114% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HB3   LYS+  74  15.28 +/- 4.08   0.430% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  10.86 +/- 2.45   0.572% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  16.74 +/- 3.23   0.175% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  14.99 +/- 3.85   0.581% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  12.84 +/- 2.73   0.427% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  18.35 +/- 3.71   0.137% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 216.9:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.149% * 99.3078% (1.00  10.0 10.00   5.17 216.93) =  99.999%  kept
          HG3   LYS+ 111 - HG13  ILE   89  16.07 +/- 3.43   0.202% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  25.42 +/- 3.50   0.041% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  15.85 +/- 2.01   0.165% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  16.79 +/- 3.18   0.170% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  22.09 +/- 4.34   0.101% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  22.88 +/- 4.26   0.076% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  24.02 +/- 6.21   0.096% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 50.60 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.1:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  78.932% * 99.6237% (1.00  10.0 10.00   2.81  24.14) =  99.993%  kept
          HB    THR   77 - QB    ALA   57  11.98 +/- 3.96  15.539% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HA1   GLY   51 - QB    ALA   57   8.84 +/- 1.35   1.366% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QB    ALA   57  18.18 +/- 5.41   1.497% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.25 +/- 3.95   0.485% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  12.64 +/- 2.00   0.685% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.94 +/- 1.93   1.062% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.16 +/- 1.86   0.122% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.19 +/- 1.69   0.144% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  24.08 +/- 5.99   0.170% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 56.43 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.503% * 97.5263% (1.00  10.0 10.00   2.81  10.15) =  99.997%  kept
        T HA    SER   85 - HA2   GLY   51  19.67 +/- 5.10   0.305% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HA2   GLY   51  10.79 +/- 0.85   0.451% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.61 +/- 3.19   0.050% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  28.84 +/- 2.84   0.025% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  14.24 +/- 3.76   0.317% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.77 +/- 2.92   0.121% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  21.85 +/- 2.42   0.059% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.98 +/- 1.48   0.145% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  35.07 +/- 7.55   0.024% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.0:
    * O   QG2   VAL   24 - QG1   VAL   24   2.04 +/- 0.07  97.086% * 99.5951% (1.00  10.0  1.00   2.70  64.99) =  99.996%  kept
        T QG1   VAL  107 - QG1   VAL   24  14.99 +/- 3.54   0.892% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   63 - QG1   VAL   24  15.48 +/- 4.86   1.744% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QG1   VAL   24  20.49 +/- 4.69   0.278% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 31.51 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 58.05 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 160.0:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  95.298% * 99.4743% (1.00  10.0 10.00   6.58 160.02) =  99.998%  kept
          HB3   ASN   28 - HG3   GLN   30   8.21 +/- 0.93   1.115% *  0.0918% (0.92   1.0  1.00   0.02  16.71) =   0.001%
          HB3   HIS  122 - HG3   GLN   30  16.76 +/- 6.25   2.486% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  17.19 +/- 4.25   0.185% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.36 +/- 3.29   0.116% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  25.78 +/- 2.88   0.036% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  13.75 +/- 2.53   0.274% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.06 +/- 1.71   0.138% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.31 +/- 1.22   0.104% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.71 +/- 4.10   0.094% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  27.55 +/- 3.60   0.031% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  17.19 +/- 2.34   0.123% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 4.55, residual support = 153.8:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.74 +/- 0.47  63.859% * 96.2262% (1.00  10.0   4.56 154.56) =  99.508%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.10 +/- 1.49  10.147% *  2.9109% (0.31   1.0   1.95   0.44) =   0.478%  kept
          HB2   ASN   28 - HG2   LYS+  33  10.07 +/- 1.22   1.866% *  0.0943% (0.98   1.0   0.02   0.02) =   0.003%
          QE    LYS+  65 - QG    LYS+  81  17.68 +/- 5.69   3.923% *  0.0413% (0.43   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   8.26 +/- 0.74   3.031% *  0.0328% (0.34   1.0   0.02   5.56) =   0.002%
          HB2   ASP-  86 - QG    LYS+  81   8.99 +/- 0.89   2.564% *  0.0316% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HG2   LYS+  33  14.44 +/- 4.66   4.061% *  0.0148% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.06 +/- 1.27   5.309% *  0.0103% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - QG    LYS+  81  20.37 +/- 7.78   1.058% *  0.0452% (0.47   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  17.53 +/- 5.52   0.988% *  0.0401% (0.42   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+  33  18.39 +/- 3.54   0.406% *  0.0863% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HG2   LYS+ 106  19.13 +/- 2.19   0.253% *  0.0584% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  25.87 +/- 6.20   0.212% *  0.0661% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.78 +/- 4.25   0.226% *  0.0572% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.87 +/- 2.90   0.181% *  0.0523% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  22.97 +/- 5.34   0.205% *  0.0461% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  25.01 +/- 4.71   0.131% *  0.0622% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.56 +/- 2.51   0.172% *  0.0378% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.87 +/- 3.35   0.284% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  21.26 +/- 4.64   0.234% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  18.93 +/- 3.53   0.384% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.96 +/- 2.84   0.216% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  26.51 +/- 4.68   0.121% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  23.84 +/- 3.63   0.167% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 154.6:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.25 +/- 0.09  97.890% * 98.2551% (1.00  10.0 10.00   5.62 154.56) =  99.996%  kept
        T HG2   LYS+ 106 - QB    LYS+  33  18.36 +/- 1.79   0.198% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QB    LYS+  33  22.07 +/- 5.11   0.169% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QB    LYS+  33  13.40 +/- 2.98   0.756% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  17.16 +/- 5.53   0.655% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  17.71 +/- 2.63   0.253% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  24.67 +/- 2.02   0.079% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.978, support = 4.83, residual support = 216.4:
    *     QE    LYS+  38 - HA    LYS+  38   3.55 +/- 1.19  40.189% * 93.8442% (1.00  1.00   4.85 220.94) =  97.534%  kept
          QE    LYS+  99 - HA    GLU- 100   5.52 +/- 0.95  19.635% *  4.3473% (0.05  1.00   4.15  39.84) =   2.207%  kept
          QE    LYS+  99 - HA    LYS+  38   7.66 +/- 3.34  20.441% *  0.3468% (0.90  1.00   0.02   0.02) =   0.183%  kept
          QE    LYS+ 102 - HA    LYS+  38  13.90 +/- 3.43   2.860% *  0.3570% (0.92  1.00   0.02   0.02) =   0.026%
        T HB3   TRP   27 - HA    LYS+  38  13.89 +/- 2.08   1.072% *  0.8610% (0.22 10.00   0.02   0.02) =   0.024%
          QE    LYS+  38 - HA    GLU- 100   9.14 +/- 2.36   7.915% *  0.0890% (0.06  1.00   0.08   0.02) =   0.018%
        T HB3   TRP   27 - HA    GLU- 100  15.91 +/- 3.52   1.585% *  0.0520% (0.01 10.00   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.65 +/- 0.84   3.795% *  0.0216% (0.06  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    LYS+  38  14.05 +/- 2.00   0.916% *  0.0765% (0.20  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    GLU- 100  11.30 +/- 0.66   1.592% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.903, support = 4.72, residual support = 157.0:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.81 +/- 0.43  45.180% * 53.9260% (1.00  10.0 10.00   4.35 159.15) =  57.095%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.87 +/- 0.60  43.705% * 41.7635% (0.77  10.0 10.00   5.23 154.56) =  42.774%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.35 +/- 0.52   2.984% *  1.6484% (0.52   1.0  1.00   1.17   5.56) =   0.115%  kept
        T QE    LYS+  33 - HG3   LYS+  65  18.49 +/- 3.82   0.283% *  0.4836% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - HG3   LYS+ 102  16.17 +/- 2.37   0.308% *  0.3936% (0.73   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+  33  18.50 +/- 3.26   0.194% *  0.4657% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.60 +/- 1.06   1.322% *  0.0449% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG3   LYS+  65  17.24 +/- 4.85   2.554% *  0.0202% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  18.42 +/- 2.20   0.207% *  0.2030% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  20.23 +/- 2.62   0.157% *  0.2263% (0.42   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  25.00 +/- 2.43   0.067% *  0.4388% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG3   LYS+  65  23.68 +/- 5.51   0.416% *  0.0498% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  21.08 +/- 4.54   0.291% *  0.0520% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.60 +/- 4.79   0.339% *  0.0424% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  17.40 +/- 5.00   0.560% *  0.0209% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  15.89 +/- 4.23   0.389% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  22.57 +/- 6.02   0.228% *  0.0405% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  25.75 +/- 6.27   0.114% *  0.0430% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.07 +/- 3.85   0.180% *  0.0218% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.54 +/- 3.58   0.116% *  0.0327% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.12 +/- 3.14   0.150% *  0.0137% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  25.07 +/- 4.51   0.084% *  0.0175% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.99 +/- 2.50   0.116% *  0.0085% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.47 +/- 2.93   0.056% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 92.0:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.33 +/- 0.10  84.863% * 99.1144% (1.00  10.0 10.00   4.45  92.05) =  99.993%  kept
          HB3   PHE   72 - HG3   GLU-  29  15.47 +/- 4.47   6.359% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HG3   GLU-  29  13.91 +/- 5.21   4.409% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLN   90 - HG3   GLU-  29  26.42 +/- 6.17   0.146% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG3   GLU-  29  13.55 +/- 4.43   2.801% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HG3   GLU-  29  22.92 +/- 4.89   0.180% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  16.93 +/- 3.74   0.356% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  21.87 +/- 3.90   0.184% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  20.34 +/- 5.69   0.241% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  19.90 +/- 3.97   0.385% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.43 +/- 4.59   0.076% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 92.1:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.526% * 99.6674% (1.00  10.0 10.00   4.16  92.05) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  26.18 +/- 8.46   0.094% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  23.26 +/- 5.46   0.118% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  23.33 +/- 4.27   0.058% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  25.33 +/- 5.32   0.058% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.52 +/- 3.13   0.089% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  23.31 +/- 2.88   0.056% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.4:
    * O T QG    GLN   17 - HB3   GLN   17   2.42 +/- 0.09  95.509% * 98.5118% (0.76  10.0 10.00   4.31  85.40) =  99.979%  kept
        T HB    VAL   70 - HB3   GLN   17  13.35 +/- 5.98   1.554% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.018%
          HB2   MET   96 - HB3   GLN   17  18.88 +/- 5.40   0.848% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB3   GLN   17  16.09 +/- 3.89   0.899% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   GLN   17  18.95 +/- 8.39   0.723% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   GLN   17  20.05 +/- 3.40   0.289% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.32 +/- 2.59   0.178% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.99, residual support = 85.2:
    * O T HA    GLN   17 - HB3   GLN   17   2.72 +/- 0.19  69.071% * 98.6743% (1.00  10.0 10.00   4.00  85.40) =  99.805%  kept
          HA    GLU-  15 - HB3   GLN   17   5.55 +/- 0.88  13.352% *  0.9246% (0.57   1.0  1.00   0.33   0.02) =   0.181%  kept
          HA    SER   13 - HB3   GLN   17   8.92 +/- 2.31  14.846% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.012%
          HA    SER   37 - HB3   GLN   17  17.42 +/- 4.71   0.682% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  16.27 +/- 5.03   0.653% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   GLN   17  15.15 +/- 4.44   0.884% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  22.51 +/- 6.19   0.185% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  19.12 +/- 5.33   0.327% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 85.1:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  93.247% * 89.3626% (1.00  10.0 10.00   4.16  85.40) =  99.702%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.33 +/- 0.95   2.637% *  9.1783% (1.00   1.0 10.00   0.21   0.02) =   0.290%  kept
        T HB3   PRO   68 - HB3   GLN   17  15.08 +/- 6.84   0.486% *  0.7156% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HB3   GLN   17  11.74 +/- 3.05   0.570% *  0.3674% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HB3   GLN   17   7.53 +/- 0.83   1.382% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HB3   GLN   17  16.33 +/- 4.56   0.408% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  15.19 +/- 6.09   0.391% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  11.66 +/- 3.00   0.555% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.21 +/- 3.05   0.057% *  0.0578% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  26.76 +/- 4.05   0.033% *  0.0886% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.79 +/- 4.00   0.136% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  20.89 +/- 3.92   0.099% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.852, support = 3.29, residual support = 45.9:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.81 +/- 0.16  50.229% * 72.0932% (1.00  10.0 10.00   3.07  45.21) =  76.564%  kept
      O T HG3   MET   11 - HA    MET   11   3.16 +/- 0.63  41.314% * 26.7625% (0.37  10.0 10.00   4.00  48.35) =  23.378%  kept
        T HG3   MET   11 - HA    GLU-  14  10.47 +/- 2.31   2.985% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.043%
        T HB3   GLU-  14 - HA    MET   11  10.18 +/- 1.85   2.167% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.013%
          HB2   LEU   40 - HA    GLU-  14  16.37 +/- 3.98   2.140% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HA    GLU-  14  22.67 +/- 4.27   0.155% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  27.96 +/- 7.97   0.494% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.97 +/- 4.82   0.173% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.76 +/- 4.01   0.182% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  27.44 +/- 4.96   0.071% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.16 +/- 4.44   0.052% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  33.70 +/- 5.65   0.038% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.5:
    * O T HB2   MET   92 - HA    MET   92   2.87 +/- 0.20  87.608% * 99.5277% (1.00  10.0 10.00   3.87  62.47) =  99.994%  kept
          HB    ILE   56 - HA    MET   92  10.49 +/- 2.86   2.882% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HA    MET   92   7.78 +/- 0.66   4.842% *  0.0197% (0.20   1.0  1.00   0.02   0.19) =   0.001%
          HB3   PRO   58 - HA    MET   92  16.56 +/- 3.43   0.730% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    MET   92  12.30 +/- 2.27   1.904% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    MET   92  22.29 +/- 3.77   0.345% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.43 +/- 0.82   1.188% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.41 +/- 2.10   0.102% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.51 +/- 2.82   0.190% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  33.31 +/- 5.85   0.080% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.96 +/- 4.84   0.129% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 4.24, residual support = 60.0:
    * O T HB3   MET   92 - HA    MET   92   2.69 +/- 0.21  75.088% * 83.8517% (1.00  10.0 10.00   4.22  62.47) =  95.862%  kept
          HG3   PRO   93 - HA    MET   92   4.43 +/- 0.23  17.470% * 15.5301% (0.76   1.0  1.00   4.85   1.89) =   4.131%  kept
          HD2   LYS+ 111 - HA    MET   92  12.50 +/- 2.99   2.903% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   73 - HA    MET   92  15.64 +/- 4.10   0.875% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    MET   92  13.49 +/- 1.67   0.804% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92   9.67 +/- 2.34   2.366% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    MET   92  26.24 +/- 2.28   0.086% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.02 +/- 1.23   0.145% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.76 +/- 1.45   0.114% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.95 +/- 1.55   0.148% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 62.5:
    * O T HG2   MET   92 - HA    MET   92   2.96 +/- 0.50  75.813% * 99.5593% (1.00  10.0 10.00   2.49  62.47) =  99.978%  kept
          HG2   PRO   52 - HA    MET   92   8.97 +/- 4.15  19.930% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.017%
          HB2   GLU-  79 - HA    MET   92  13.37 +/- 3.45   2.195% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HA    MET   92  11.76 +/- 1.70   1.572% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HA    MET   92  30.99 +/- 3.16   0.100% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  26.73 +/- 5.25   0.207% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  29.05 +/- 5.05   0.184% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 0.984, support = 3.91, residual support = 61.2:
    * O T HG3   MET   92 - HA    MET   92   3.11 +/- 0.79  72.389% * 90.8542% (1.00  10.0 10.00   3.97  62.47) =  98.022%  kept
        T HB2   ASP-  44 - HA    MET   92  10.73 +/- 2.29  15.137% *  8.7371% (0.20   1.0 10.00   0.97   0.48) =   1.971%  kept
          QG    GLN   90 - HA    MET   92   7.62 +/- 0.92   7.211% *  0.0310% (0.34   1.0  1.00   0.02   0.19) =   0.003%
          HB3   ASP-  76 - HA    MET   92  13.12 +/- 3.73   2.068% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    MET   92  16.28 +/- 1.55   0.859% *  0.0624% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  16.99 +/- 1.15   0.608% *  0.0728% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    MET   92  17.27 +/- 3.02   0.950% *  0.0253% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  25.97 +/- 4.27   0.212% *  0.0891% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  26.73 +/- 1.27   0.165% *  0.0442% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  26.28 +/- 4.48   0.180% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  25.37 +/- 5.51   0.221% *  0.0123% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.924, support = 1.85, residual support = 5.67:
          HB    VAL  108 - QB    LYS+ 106   4.41 +/- 0.49  62.982% * 79.6340% (0.92  1.00   1.89   5.80) =  97.623%  kept
          HB    ILE  119 - QB    LYS+ 106  13.26 +/- 3.07  13.257% *  7.2644% (1.00  1.00   0.16   0.02) =   1.874%  kept
        T HB2   GLN   30 - QB    LYS+ 106  16.34 +/- 2.18   1.524% *  9.1289% (1.00 10.00   0.02   0.02) =   0.271%  kept
          HB2   ARG+  54 - QB    LYS+ 106  18.44 +/- 3.57   6.711% *  0.7919% (0.87  1.00   0.02   0.02) =   0.103%  kept
          HB2   PRO   93 - QB    LYS+ 106  11.22 +/- 1.36   4.436% *  0.5168% (0.57  1.00   0.02   0.02) =   0.045%
          HB3   GLU- 100 - QB    LYS+ 106  14.97 +/- 0.99   1.616% *  0.9048% (0.99  1.00   0.02   0.02) =   0.028%
          HG3   GLN   30 - QB    LYS+ 106  17.30 +/- 2.44   1.323% *  0.7919% (0.87  1.00   0.02   0.02) =   0.020%
          HB2   LYS+ 111 - QB    LYS+ 106  10.96 +/- 1.79   4.935% *  0.2032% (0.22  1.00   0.02   0.02) =   0.020%
          HB3   PRO   68 - QB    LYS+ 106  19.03 +/- 2.44   0.997% *  0.4443% (0.49  1.00   0.02   0.02) =   0.009%
          QB    GLU-  15 - QB    LYS+ 106  19.79 +/- 3.59   1.267% *  0.1599% (0.18  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QB    LYS+ 106  21.11 +/- 3.66   0.951% *  0.1599% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.48 A violated in 0 structures by 0.84 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.4:
      O   HN    ASP-  76 - HA    VAL   75   2.21 +/- 0.04  98.153% * 99.8873% (0.76  10.0   4.64  26.44) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75  12.19 +/- 5.34   1.593% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  16.78 +/- 2.19   0.254% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.21, residual support = 82.2:
      O   HN    VAL   75 - HA    VAL   75   2.88 +/- 0.05  93.846% * 93.0782% (0.90  10.0   5.23  82.64) =  99.515%  kept
          HN    ASP-  78 - HA    VAL   75   7.20 +/- 0.29   6.154% *  6.9218% (0.95   1.0   1.41   0.33) =   0.485%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 0.665, residual support = 15.1:
          HA    PHE   45 - HB    VAL   75   5.59 +/- 3.43  62.592% * 70.0238% (0.45   0.75  17.43) =  86.418%  kept
          HA    VAL   41 - HB    VAL   75   9.54 +/- 1.75  24.454% * 26.1315% (0.97   0.13   0.02) =  12.600%  kept
          HA    HIS  122 - HB    VAL   75  16.99 +/- 3.14  12.953% *  3.8448% (0.92   0.02   0.02) =   0.982%  kept
    Distance limit 3.76 A violated in 7 structures by 1.39 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.05, residual support = 17.4:
          QD    PHE   45 - HB    VAL   75   5.36 +/- 2.36  78.975% * 98.5266% (0.87   2.06  17.43) =  99.799%  kept
          HD2   HIS  122 - HB    VAL   75  14.44 +/- 2.35  15.493% *  0.7588% (0.69   0.02   0.02) =   0.151%  kept
          HE22  GLN  116 - HB    VAL   75  18.53 +/- 1.70   5.532% *  0.7146% (0.65   0.02   0.02) =   0.051%
    Distance limit 3.83 A violated in 7 structures by 1.44 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 1.65:
        T HZ    PHE   72 - HB    VAL   75   6.68 +/- 0.89  70.488% * 97.5882% (0.80 10.00   0.02   1.65) =  98.976%  kept
          HZ2   TRP   27 - HB    VAL   75  11.15 +/- 3.99  29.512% *  2.4118% (0.20  1.00   0.02   1.22) =   1.024%  kept
    Distance limit 4.20 A violated in 15 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.44, residual support = 82.5:
      O   HN    VAL   75 - HB    VAL   75   2.55 +/- 0.49  96.205% * 97.2446% (0.99  10.0   4.45  82.64) =  99.888%  kept
          HN    ASP-  78 - HB    VAL   75   8.21 +/- 0.44   3.795% *  2.7554% (0.65   1.0   0.87   0.33) =   0.112%  kept
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.357, support = 2.39, residual support = 16.6:
        T QE    PHE   45 - QG1   VAL   75   3.78 +/- 1.73  61.492% * 84.9112% (0.34 10.00   2.47  17.43) =  94.502%  kept
          QD    PHE   72 - QG1   VAL   75   5.75 +/- 1.01  23.529% *  9.0905% (0.53  1.00   1.39   1.65) =   3.871%  kept
          HZ    PHE   72 - QG1   VAL   75   7.07 +/- 1.11  14.979% *  5.9983% (0.90  1.00   0.54   1.65) =   1.626%  kept
    Distance limit 3.36 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 3.09, residual support = 17.4:
          QD    PHE   45 - QG1   VAL   75   3.24 +/- 1.95  82.728% * 99.5801% (1.00   3.09  17.43) =  99.955%  kept
          HD2   HIS  122 - QG1   VAL   75  13.09 +/- 1.88  12.576% *  0.2204% (0.34   0.02   0.02) =   0.034%
          HE22  GLN  116 - QG1   VAL   75  15.94 +/- 1.60   4.695% *  0.1994% (0.31   0.02   0.02) =   0.011%
    Distance limit 3.44 A violated in 2 structures by 0.54 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.93, residual support = 73.9:
          HN    VAL   75 - QG1   VAL   75   3.29 +/- 0.43  79.841% * 67.9442% (0.90   5.23  82.64) =  89.356%  kept
          HN    ASP-  78 - QG1   VAL   75   5.40 +/- 0.42  20.159% * 32.0558% (0.95   2.34   0.33) =  10.644%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.4:
          HN    ASP-  76 - QG1   VAL   75   3.17 +/- 0.46  94.704% * 99.1032% (0.41   4.97  26.44) =  99.976%  kept
          HN    VAL  108 - QG1   VAL   75  11.82 +/- 1.96   2.323% *  0.7048% (0.73   0.02   0.02) =   0.017%
          HN    HIS   22 - QG1   VAL   75  11.99 +/- 3.37   2.973% *  0.1921% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.661, support = 0.02, residual support = 0.953:
          HB2   CYS   21 - QG2   VAL   75   9.31 +/- 5.28  52.655% * 67.1992% (0.76   0.02   1.15) =  82.306%  kept
          QE    LYS+  81 - QG2   VAL   75  10.96 +/- 1.62  31.578% * 15.3994% (0.18   0.02   0.02) =  11.311%  kept
          QE    LYS+ 111 - QG2   VAL   75  14.93 +/- 2.57  15.767% * 17.4014% (0.20   0.02   0.02) =   6.382%  kept
    Distance limit 3.74 A violated in 18 structures by 3.89 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 = 11.7:
          HZ    PHE   45 - QG2   VAL   75   5.90 +/- 2.25  51.974% * 63.0260% (0.76   0.75  17.43) =  64.847%  kept
          HZ3   TRP   27 - QG2   VAL   75   7.41 +/- 4.01  48.026% * 36.9740% (0.45   0.75   1.22) =  35.153%  kept
    Distance limit 3.44 A violated in 7 structures by 1.47 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.949, support = 1.79, residual support = 12.7:
          QE    PHE   45 - QG2   VAL   75   4.72 +/- 1.98  44.658% * 64.1508% (0.97   2.16  17.43) =  70.291%  kept
          QD    PHE   72 - QG2   VAL   75   4.71 +/- 1.45  40.163% * 26.6843% (1.00   0.87   1.65) =  26.295%  kept
          HZ    PHE   72 - QG2   VAL   75   6.55 +/- 0.86  15.179% *  9.1649% (0.25   1.19   1.65) =   3.413%  kept
    Distance limit 3.92 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.79, support = 0.585, residual support = 1.12:
          HE3   TRP   27 - QG2   VAL   75   7.85 +/- 4.19  30.234% * 80.8534% (0.80   0.63   1.22) =  91.847%  kept
          QE    PHE   95 - QG2   VAL   75   7.96 +/- 2.24  23.800% *  3.1431% (0.98   0.02   0.02) =   2.811%  kept
          HD2   HIS   22 - QG2   VAL   75  11.94 +/- 4.49   9.051% *  7.0633% (0.20   0.22   0.02) =   2.402%  kept
          HN    LEU   67 - QG2   VAL   75   9.97 +/- 1.41  14.409% *  2.0744% (0.65   0.02   0.02) =   1.123%  kept
          HN    THR   23 - QG2   VAL   75  10.89 +/- 4.46   8.984% *  3.0946% (0.97   0.02   0.02) =   1.045%  kept
          QD    PHE   55 - QG2   VAL   75  13.65 +/- 1.76   4.016% *  2.7815% (0.87   0.02   0.02) =   0.420%  kept
          HD1   TRP   49 - QG2   VAL   75  12.77 +/- 3.31   9.508% *  0.9897% (0.31   0.02   0.02) =   0.354%  kept
    Distance limit 3.64 A violated in 13 structures by 1.69 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 4.82, residual support = 79.1:
          HN    VAL   75 - QG2   VAL   75   3.24 +/- 0.60  85.181% * 79.6825% (0.90   4.98  82.64) =  95.752%  kept
          HN    ASP-  78 - QG2   VAL   75   7.00 +/- 0.84  14.819% * 20.3175% (0.95   1.20   0.33) =   4.248%  kept
    Distance limit 3.65 A violated in 0 structures by 0.08 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   5.40 +/- 2.32  90.624% * 48.3894% (0.61   0.02   0.02) =  90.062%  kept
          HN    VAL  108 - QG2   VAL   75  12.87 +/- 2.19   9.376% * 51.6106% (0.65   0.02   0.02) =   9.938%  kept
    Distance limit 4.09 A violated in 5 structures by 1.31 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 = 3.72, residual support = 35.8:
      O   HN    ASP-  76 - HB3   ASP-  76   2.78 +/- 0.53  99.499% * 99.4520% (0.15  10.0   3.72  35.85) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  19.43 +/- 2.64   0.501% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.67, residual support = 35.8:
      O   HN    ASP-  76 - HB2   ASP-  76   3.12 +/- 0.41  88.025% * 99.6604% (0.41  10.0   3.67  35.85) =  99.996%  kept
          HN    HIS   22 - HB2   ASP-  76  13.63 +/- 6.76   3.524% *  0.0480% (0.20   1.0   0.02   0.02) =   0.002%
          HN    ASP-  76 - QE    LYS+  66  16.13 +/- 3.21   3.664% *  0.0207% (0.09   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HB2   ASP-  76  19.54 +/- 2.68   0.400% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - QE    LYS+  66  20.15 +/- 3.52   0.557% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.75 +/- 2.12   1.926% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  19.35 +/- 3.95   0.983% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  18.48 +/- 3.96   0.625% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  22.61 +/- 2.22   0.298% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.378, support = 0.61, residual support = 0.603:
          HN    LEU   80 - HA    THR   77   5.03 +/- 1.57  82.154% * 88.3108% (0.38   0.62   0.61) =  98.928%  kept
          HN    CYS   53 - HA    THR   77  13.83 +/- 3.99  11.207% *  4.6294% (0.61   0.02   0.02) =   0.707%  kept
          HN    THR   26 - HA    THR   77  18.54 +/- 5.52   4.491% *  4.9376% (0.65   0.02   0.02) =   0.302%  kept
          HN    ALA   34 - HA    THR   77  21.27 +/- 3.05   2.148% *  2.1222% (0.28   0.02   0.02) =   0.062%
    Distance limit 3.69 A violated in 10 structures by 1.44 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.65, support = 4.7, residual support = 28.0:
      O   HN    ASP-  78 - HA    THR   77   3.53 +/- 0.08  90.349% * 91.7573% (0.65  10.0   4.73  28.28) =  99.050%  kept
          HN    VAL   75 - HA    THR   77   7.61 +/- 0.58   9.651% *  8.2427% (0.99   1.0   1.17   0.73) =   0.950%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.02, residual support = 37.5:
      O   HN    THR   77 - HA    THR   77   2.83 +/- 0.06 100.000% *100.0000% (0.53  10.0   4.02  37.47) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.14, residual support = 10.5:
        T QD    PHE   45 - QG2   THR   77   3.35 +/- 1.84 100.000% *100.0000% (0.80 10.00   3.14  10.46) = 100.000%  kept
    Distance limit 3.28 A violated in 1 structures by 0.43 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.61, residual support = 11.2:
          HN    THR   46 - QG2   THR   77   3.54 +/- 3.05  53.259% * 98.1775% (0.87   3.63  11.21) =  99.575%  kept
          HN    MET   92 - QG2   THR   77   6.03 +/- 3.38  27.666% *  0.4288% (0.69   0.02   0.02) =   0.226%  kept
          HN    LYS+  74 - QG2   THR   77   8.92 +/- 1.32  13.743% *  0.6119% (0.98   0.02   0.02) =   0.160%  kept
          HN    MET   11 - QG2   THR   77  24.55 +/- 6.11   2.427% *  0.4533% (0.73   0.02   0.02) =   0.021%
          HN    LYS+ 112 - QG2   THR   77  12.72 +/- 2.82   2.906% *  0.3285% (0.53   0.02   0.02) =   0.018%
    Distance limit 3.50 A violated in 1 structures by 0.39 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.5:
          HN    THR   77 - QG2   THR   77   2.43 +/- 0.52 100.000% *100.0000% (0.87   4.02  37.47) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.62, support = 1.41, residual support = 4.25:
          HA    ALA   20 - HB2   LYS+  74   8.33 +/- 8.26  63.122% * 61.9825% (0.61   1.58   5.35) =  73.619%  kept
          HA    LEU   71 - HB2   LYS+  74   9.34 +/- 2.17  36.878% * 38.0175% (0.64   0.93   1.18) =  26.381%  kept
    Distance limit 3.85 A violated in 4 structures by 0.80 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.776, support = 2.14, residual support = 4.05:
          HA    ALA   20 - HB3   LYS+  74   7.87 +/- 7.93  63.172% * 56.2858% (0.76   2.33   5.35) =  68.834%  kept
          HA    LEU   71 - HB3   LYS+  74   9.19 +/- 2.23  36.828% * 43.7142% (0.80   1.72   1.18) =  31.166%  kept
    Distance limit 3.77 A violated in 4 structures by 0.64 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.8:
      O   HA    LYS+  74 - HB3   LYS+  74   2.84 +/- 0.20  97.546% * 99.8966% (0.80  10.0   6.20 186.77) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  13.84 +/- 1.85   1.186% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  15.52 +/- 2.60   1.268% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.3:
      O T HA    PRO   93 - HB2   PRO   93   2.41 +/- 0.19  99.719% * 99.9221% (0.49  10.0 10.00   5.98 132.34) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  20.07 +/- 3.27   0.281% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.442, support = 1.45, residual support = 1.51:
          HB3   MET   92 - HB3   PRO   93   5.89 +/- 0.79  20.429% * 75.0656% (0.41  1.00   1.81   1.89) =  79.578%  kept
        T HB2   LEU   73 - HB3   PRO   93  12.43 +/- 4.89  19.630% * 11.3975% (0.57 10.00   0.02   0.02) =  11.610%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.97 +/- 3.07  15.044% *  6.2135% (0.31 10.00   0.02   0.02) =   4.851%  kept
          QG1   ILE   56 - HB3   PRO   93   5.89 +/- 2.87  37.725% *  1.8054% (0.90  1.00   0.02   0.02) =   3.534%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.96 +/- 1.77   2.468% *  1.5385% (0.76  1.00   0.02   0.02) =   0.197%  kept
          HB    ILE   89 - HB3   PRO   93  10.68 +/- 1.39   3.687% *  0.7556% (0.38  1.00   0.02   0.02) =   0.145%  kept
          QD    LYS+  99 - HB3   PRO   93  18.74 +/- 1.44   0.547% *  1.6120% (0.80  1.00   0.02   0.02) =   0.046%
          HB3   LYS+  99 - HB3   PRO   93  19.98 +/- 1.16   0.470% *  1.6120% (0.80  1.00   0.02   0.02) =   0.039%
    Distance limit 3.49 A violated in 0 structures by 0.54 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  95.966% * 99.4465% (0.80  10.0   6.01 132.34) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93  10.87 +/- 3.73   1.194% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HB3   PRO   93  11.14 +/- 3.81   0.951% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HB3   PRO   93   9.67 +/- 1.90   0.809% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  11.19 +/- 2.11   0.530% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.12 +/- 1.93   0.271% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.32 +/- 3.00   0.176% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.86 +/- 3.67   0.038% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  29.96 +/- 4.74   0.027% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.33 +/- 1.48   0.038% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.63 +/- 0.19 100.000% *100.0000% (0.92  10.0   5.12 132.34) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 1.31, residual support = 2.8:
          QD    PHE   45 - HB3   PRO   93   5.89 +/- 1.35 100.000% *100.0000% (0.76   1.31   2.80) = 100.000%  kept
    Distance limit 4.19 A violated in 12 structures by 1.75 A, kept.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.929, support = 1.84, residual support = 10.8:
          QD1   ILE   19 - HG2   GLN   30   5.40 +/- 2.37  41.582% * 64.6467% (0.95   2.13  13.23) =  80.964%  kept
          QD2   LEU  104 - HG2   GLN   30  13.01 +/- 4.00  16.313% * 21.1933% (0.84   0.79   0.68) =  10.413%  kept
          QG2   VAL   18 - HG2   GLN   30   8.48 +/- 2.83  21.774% * 12.7855% (0.90   0.44   0.02) =   8.385%  kept
          QG1   VAL   43 - HG2   GLN   30  11.02 +/- 3.32   7.886% *  0.4414% (0.69   0.02   0.02) =   0.105%  kept
          QG1   VAL   41 - HG2   GLN   30   9.53 +/- 2.85  10.671% *  0.3128% (0.49   0.02   0.02) =   0.101%  kept
          QG2   THR   46 - HG2   GLN   30  15.72 +/- 2.84   1.775% *  0.6202% (0.97   0.02   0.02) =   0.033%
    Distance limit 3.89 A violated in 3 structures by 0.64 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.605, support = 0.746, residual support = 4.69:
        T QG2   THR   26 - HG2   GLN   30   3.44 +/- 0.91  79.365% * 83.0176% (0.61 10.00   0.75   4.73) =  99.202%  kept
          HG    LEU  104 - HG2   GLN   30  15.65 +/- 4.83   6.325% *  5.2377% (0.73  1.00   0.40   0.68) =   0.499%  kept
        T HB3   LYS+ 121 - HG2   GLN   30  18.51 +/- 5.52   2.035% *  2.6504% (0.73 10.00   0.02   0.02) =   0.081%
        T HD3   LYS+  74 - HG2   GLN   30  15.07 +/- 3.58   2.297% *  2.0664% (0.57 10.00   0.02   0.02) =   0.071%
        T QD    LYS+  66 - HG2   GLN   30  17.70 +/- 2.97   1.259% *  3.6418% (1.00 10.00   0.02   0.02) =   0.069%
        T HD2   LYS+ 121 - HG2   GLN   30  18.75 +/- 5.17   1.426% *  2.7894% (0.76 10.00   0.02   0.02) =   0.060%
          HB2   LYS+  74 - HG2   GLN   30  12.35 +/- 3.67   5.272% *  0.1245% (0.34  1.00   0.02   0.02) =   0.010%
          HG2   LYS+  65 - HG2   GLN   30  17.63 +/- 4.00   1.657% *  0.2507% (0.69  1.00   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HG2   GLN   30  24.73 +/- 2.77   0.365% *  0.2214% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 2 structures by 0.20 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.0, residual support = 237.6:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.54 +/- 0.22  96.257% * 99.8036% (0.95  10.0 10.00   7.00 237.63) =  99.996%  kept
          QB    ALA   47 - HB3   LYS+ 112  12.06 +/- 2.17   2.464% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   42 - HB3   LYS+ 112  11.95 +/- 1.86   1.279% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.48, residual support = 237.6:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.63 +/- 0.29  92.011% * 99.8561% (0.73  10.0 10.00   6.48 237.63) =  99.997%  kept
          HB    THR   46 - HB3   LYS+ 112  12.51 +/- 3.47   7.133% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - HB3   LYS+ 112  16.29 +/- 1.34   0.414% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  24.29 +/- 6.47   0.443% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 237.6:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.95 +/- 0.64  96.389% * 99.7523% (0.97  10.0   5.96 237.63) =  99.998%  kept
          HN    LYS+  74 - HB3   LYS+ 112  17.92 +/- 4.89   0.984% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HB3   LYS+ 112  14.12 +/- 2.41   1.305% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HB3   LYS+ 112  14.40 +/- 2.34   1.193% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  32.29 +/- 7.25   0.129% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.74, residual support = 237.6:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.62 +/- 0.56  78.106% * 99.6310% (0.84  10.0   5.74 237.63) =  99.990%  kept
          HN    LYS+  74 - HB    VAL   42   8.51 +/- 2.76  18.110% *  0.0310% (0.26   1.0   0.02   0.02) =   0.007%
          HN    LYS+  74 - HB2   LYS+ 112  18.35 +/- 5.23   1.575% *  0.0368% (0.31   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB    VAL   42  16.62 +/- 2.23   0.542% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  18.35 +/- 3.83   0.697% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  32.83 +/- 7.88   0.266% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  15.68 +/- 1.11   0.526% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  24.08 +/- 4.10   0.178% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 2.54, residual support = 4.9:
          HA    PHE   72 - HB    VAL   42   4.74 +/- 2.43  62.750% * 93.8274% (0.85   2.59   5.05) =  97.087%  kept
          HA    MET   96 - HB    VAL   42   7.69 +/- 0.82  31.580% *  5.5455% (0.19   0.67   0.02) =   2.888%  kept
          HA    PHE   72 - HB2   LYS+ 112  18.11 +/- 4.95   2.183% *  0.5110% (0.60   0.02   0.02) =   0.018%
          HA    MET   96 - HB2   LYS+ 112  15.05 +/- 1.17   3.487% *  0.1161% (0.14   0.02   0.02) =   0.007%
    Distance limit 3.86 A violated in 7 structures by 1.07 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.12, residual support = 86.1:
      O   HN    VAL   42 - HB    VAL   42   2.76 +/- 0.32  73.043% * 86.0807% (0.80  10.0   6.25  89.89) =  95.786%  kept
          HN    LEU   73 - HB    VAL   42   5.98 +/- 2.12  20.245% * 13.6507% (0.80   1.0   3.17   1.02) =   4.210%  kept
          HN    ILE   19 - HB    VAL   42  11.70 +/- 5.11   3.085% *  0.0259% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LEU   73 - HB2   LYS+ 112  17.44 +/- 5.46   1.254% *  0.0607% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB    VAL   42  11.68 +/- 1.22   1.141% *  0.0603% (0.56   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  15.00 +/- 1.14   0.515% *  0.0426% (0.40   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  18.45 +/- 2.42   0.319% *  0.0607% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.24 +/- 4.52   0.398% *  0.0183% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.55, support = 1.75, residual support = 3.74:
          QD    PHE   60 - HB    VAL   42   7.92 +/- 2.09  19.600% * 78.0209% (0.66   2.00   4.67) =  77.315%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.46 +/- 3.00  39.978% *  6.0579% (0.12   0.85   0.79) =  12.245%  kept
          HE3   TRP   27 - HB    VAL   42   9.22 +/- 2.15  15.294% * 12.7787% (0.22   1.00   0.32) =   9.881%  kept
          QD    PHE   60 - HB2   LYS+ 112   9.75 +/- 2.62  11.561% *  0.5506% (0.47   0.02   0.02) =   0.322%  kept
          HN    LYS+  66 - HB    VAL   42  10.73 +/- 1.32   5.999% *  0.2839% (0.24   0.02   0.02) =   0.086%
          HN    LYS+  81 - HB    VAL   42  19.11 +/- 2.33   1.210% *  1.0119% (0.86   0.02   0.02) =   0.062%
          HN    LYS+  81 - HB2   LYS+ 112  22.80 +/- 3.93   0.983% *  0.7141% (0.61   0.02   0.02) =   0.035%
          HN    LYS+  66 - HB2   LYS+ 112  16.23 +/- 1.91   2.744% *  0.2003% (0.17   0.02   0.02) =   0.028%
          QD    PHE   55 - HB    VAL   42  16.78 +/- 1.33   1.305% *  0.2020% (0.17   0.02   0.02) =   0.013%
          HE3   TRP   27 - HB2   LYS+ 112  21.77 +/- 3.73   1.325% *  0.1797% (0.15   0.02   0.02) =   0.012%
    Distance limit 4.07 A violated in 5 structures by 0.82 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.478, support = 0.936, residual support = 5.04:
        T QD    PHE   72 - HB    VAL   42   4.07 +/- 0.78  61.157% * 80.9064% (0.46 10.00   0.92   5.05) =  93.191%  kept
          HZ    PHE   72 - HB    VAL   42   6.62 +/- 1.20  20.434% * 17.4464% (0.78  1.00   1.16   5.05) =   6.714%  kept
        T QD    PHE   72 - HB2   LYS+ 112  14.73 +/- 3.31   2.546% *  1.2411% (0.32 10.00   0.02   0.02) =   0.060%
          QE    PHE   45 - HB    VAL   42   8.87 +/- 1.36  12.765% *  0.1140% (0.30  1.00   0.02   0.02) =   0.027%
          HZ    PHE   72 - HB2   LYS+ 112  15.83 +/- 2.62   1.257% *  0.2116% (0.55  1.00   0.02   0.02) =   0.005%
          QE    PHE   45 - HB2   LYS+ 112  14.23 +/- 2.55   1.842% *  0.0805% (0.21  1.00   0.02   0.02) =   0.003%
    Distance limit 3.99 A violated in 0 structures by 0.27 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   2.63 +/- 0.19  98.496% * 99.2681% (0.14  10.0   2.86  15.43) =  99.989%  kept
          HN    LEU   40 - HA1   GLY  101  12.19 +/- 2.39   1.504% *  0.7319% (1.00   1.0   0.02   0.02) =   0.011%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.75 +/- 0.27  98.255% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  12.49 +/- 2.40   1.745% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.16:
      O   HN    SER   13 - HA    ALA   12   2.55 +/- 0.33  98.436% * 99.9814% (0.84  10.0   1.72   5.16) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  13.81 +/- 2.78   1.564% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.5:
      O   HN    ALA   12 - HA    ALA   12   2.75 +/- 0.19  98.445% * 99.8617% (0.85  10.0   2.38  12.46) =  99.999%  kept
          HN    ASN   35 - HA    ALA   12  18.60 +/- 4.28   1.200% *  0.0618% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LEU  115 - HA    ALA   12  29.90 +/- 5.05   0.186% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  26.40 +/- 4.21   0.169% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.5:
      O   HN    ALA   12 - QB    ALA   12   2.74 +/- 0.23  89.546% * 99.7294% (0.46  10.0   2.29  12.46) =  99.989%  kept
          HN    ASN   35 - QB    ALA   12  15.67 +/- 4.08   3.839% *  0.1891% (0.87   1.0   0.02   0.02) =   0.008%
          HE1   HIS  122 - QB    ALA   12  19.30 +/- 5.42   5.794% *  0.0359% (0.17   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - QB    ALA   12  21.39 +/- 4.40   0.820% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.49, residual support = 11.9:
      O   HN    ALA   12 - HA    MET   11   2.54 +/- 0.17  94.190% * 99.5700% (0.65  10.0   3.49  11.90) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   7.80 +/- 1.13   4.226% *  0.0391% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    MET   11  20.23 +/- 4.99   0.484% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  30.94 +/- 6.26   0.122% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  27.83 +/- 4.64   0.110% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.85 +/- 3.28   0.207% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  15.46 +/- 3.45   0.559% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  26.80 +/- 3.34   0.102% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.58, residual support = 11.9:
          HN    ALA   12 - HG3   MET   11   4.26 +/- 0.32  77.564% * 98.7310% (0.97   3.59  11.90) =  99.944%  kept
          HN    ALA   12 - HB3   GLU-  14   8.41 +/- 1.54  16.545% *  0.1955% (0.34   0.02   0.02) =   0.042%
          HN    ASN   35 - HG3   MET   11  21.11 +/- 4.61   1.436% *  0.3231% (0.57   0.02   0.02) =   0.006%
          HN    ASN   35 - HB3   GLU-  14  15.82 +/- 3.03   2.031% *  0.1147% (0.20   0.02   0.02) =   0.003%
          HN    LEU  115 - HG3   MET   11  31.59 +/- 6.26   0.473% *  0.2346% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  22.80 +/- 3.63   1.139% *  0.0833% (0.15   0.02   0.02) =   0.001%
          HN    PHE   97 - HG3   MET   11  28.75 +/- 4.43   0.379% *  0.2346% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  26.68 +/- 3.27   0.432% *  0.0833% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.63:
      O   HN    GLU-  14 - HA    SER   13   2.52 +/- 0.25  86.746% * 99.1146% (0.92  10.0   2.10   6.63) =  99.992%  kept
          HE1   HIS  122 - HA    SER   13  20.14 +/- 6.07   2.068% *  0.0860% (0.80   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HA    SER   13  13.89 +/- 4.71   1.522% *  0.0860% (0.80   1.0   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    SER   13  14.52 +/- 5.57   3.539% *  0.0331% (0.31   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    SER   37  12.98 +/- 2.62   1.107% *  0.0417% (0.39   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    SER   37  16.31 +/- 5.66   0.855% *  0.0530% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    SER   13  22.49 +/- 4.58   0.465% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  18.61 +/- 6.13   0.690% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.36 +/- 1.21   0.681% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.90 +/- 1.77   0.611% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.54 +/- 3.68   0.377% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.16 +/- 1.89   0.237% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  31.12 +/- 7.44   0.126% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  21.49 +/- 3.46   0.180% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.25 +/- 1.32   0.452% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  26.38 +/- 4.22   0.102% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  22.51 +/- 3.86   0.171% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  29.81 +/- 3.79   0.070% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.667, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  11.31 +/- 3.08  21.970% * 21.8157% (0.99   0.02   0.02) =  40.128%  kept
          HN    LEU   73 - HA    THR   46  12.98 +/- 2.33  15.207% *  7.5418% (0.34   0.02   0.02) =   9.602%  kept
          HN    ILE   19 - HA    THR   46  19.04 +/- 6.51   8.020% * 13.2032% (0.60   0.02   0.02) =   8.866%  kept
          HN    ILE   19 - HA    SER   37  16.53 +/- 3.34   8.440% * 11.6574% (0.53   0.02   0.02) =   8.237%  kept
          HN    LEU   73 - HA    SER   13  16.98 +/- 4.24   7.670% * 12.4613% (0.57   0.02   0.02) =   8.002%  kept
          HN    VAL   42 - HA    SER   37  13.09 +/- 0.71  13.535% *  6.6588% (0.30   0.02   0.02) =   7.546%  kept
          HN    VAL   42 - HA    THR   46  14.08 +/- 0.60  10.606% *  7.5418% (0.34   0.02   0.02) =   6.697%  kept
          HN    VAL   42 - HA    SER   13  18.68 +/- 4.62   5.781% * 12.4613% (0.57   0.02   0.02) =   6.032%  kept
          HN    LEU   73 - HA    SER   37  15.79 +/- 1.92   8.771% *  6.6588% (0.30   0.02   0.02) =   4.890%  kept
    Distance limit 3.46 A violated in 18 structures by 5.43 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB3   SER   37   2.87 +/- 0.52  93.065% * 99.5355% (0.83  10.0   3.80  29.68) =  99.996%  kept
          HN    SER   37 - QB    SER   13  14.50 +/- 4.70   2.340% *  0.0762% (0.63   1.0   0.02   0.02) =   0.002%
          HN    CYS   21 - QB    SER   13  13.52 +/- 3.31   2.914% *  0.0288% (0.24   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB3   SER   37  21.04 +/- 3.90   0.406% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  21.69 +/- 4.76   0.397% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  17.28 +/- 2.58   0.588% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  28.89 +/- 5.16   0.166% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  28.97 +/- 3.44   0.124% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.592, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  21.42 +/- 3.67  22.592% * 22.8936% (0.69   0.02   0.02) =  37.643%  kept
          HA    TRP   87 - HB3   GLU-  14  31.72 +/- 7.78   8.723% * 33.2545% (1.00   0.02   0.02) =  21.111%  kept
          HA    LEU  104 - HB3   GLU-  14  24.20 +/- 4.39  17.860% * 12.5086% (0.38   0.02   0.02) =  16.260%  kept
          HA    PHE   59 - HG3   MET   11  26.41 +/- 7.24  16.996% *  8.1279% (0.24   0.02   0.02) =  10.054%  kept
          HA    TRP   87 - HG3   MET   11  36.34 +/- 8.98   8.839% * 11.8063% (0.35   0.02   0.02) =   7.595%  kept
          HA    ASP- 113 - HB3   GLU-  14  28.55 +/- 3.98   9.741% *  5.1424% (0.15   0.02   0.02) =   3.646%  kept
          HA    LEU  104 - HG3   MET   11  30.10 +/- 5.72   8.749% *  4.4409% (0.13   0.02   0.02) =   2.828%  kept
          HA    ASP- 113 - HG3   MET   11  32.99 +/- 7.55   6.500% *  1.8257% (0.05   0.02   0.02) =   0.864%  kept
    Distance limit 3.67 A violated in 20 structures by 12.76 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.87, residual support = 45.2:
      O   HN    GLU-  14 - HB3   GLU-  14   3.40 +/- 0.22  85.000% * 99.5831% (0.92  10.0   3.87  45.21) =  99.992%  kept
          HN    GLU-  14 - HG3   MET   11   9.83 +/- 1.72   6.713% *  0.0354% (0.33   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB3   GLU-  14  18.89 +/- 4.93   1.083% *  0.1069% (0.99   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB3   GLU-  14  14.05 +/- 3.80   2.902% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  14  21.98 +/- 3.71   0.802% *  0.1079% (1.00   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HG3   MET   11  24.94 +/- 7.56   1.056% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  30.38 +/- 8.09   0.549% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  27.99 +/- 4.76   0.389% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  19.41 +/- 4.45   0.841% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  34.80 +/- 9.03   0.665% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.87, residual support = 45.2:
      O   HN    GLU-  14 - HB2   GLU-  14   3.08 +/- 0.65  89.711% * 99.3938% (0.49  10.0   3.87  45.21) =  99.994%  kept
          HN    GLU-  14 - HG2   MET   11   9.31 +/- 1.27   5.024% *  0.0372% (0.18   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLU-  14  19.16 +/- 4.89   0.800% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   GLU-  14  15.87 +/- 3.22   1.231% *  0.0839% (0.41   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  14  22.20 +/- 3.95   0.646% *  0.1483% (0.73   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HG2   MET   11  24.52 +/- 7.03   0.573% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  20.70 +/- 4.75   0.557% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  27.72 +/- 4.61   0.310% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  19.37 +/- 2.89   0.635% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.13 +/- 2.92   0.211% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  30.06 +/- 3.82   0.152% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.72 +/- 3.00   0.149% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.45:
      O   HN    GLY   16 - HA    GLU-  15   2.65 +/- 0.35  94.764% * 99.5949% (0.97  10.0   2.05   5.45) =  99.997%  kept
          HN    GLY   16 - HA    LEU   40  13.59 +/- 5.29   2.321% *  0.0805% (0.78   1.0   0.02   0.02) =   0.002%
          HN    SER  117 - HA    LEU   40  17.78 +/- 3.38   0.576% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  27.34 +/- 9.39   0.454% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  14.34 +/- 3.38   1.176% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.83 +/- 2.52   0.161% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.22 +/- 3.29   0.201% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  23.76 +/- 4.10   0.202% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  27.41 +/- 5.28   0.145% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.06 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   2.70 +/- 0.04  99.289% * 99.8927% (0.84  10.0   5.98 105.74) =  99.999%  kept
          HN    ASN   69 - HA    ASN   28  17.06 +/- 3.46   0.711% *  0.1073% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.374, support = 2.54, residual support = 19.7:
        T HB2   LEU   31 - HA    ASN   28   3.75 +/- 0.51  63.239% * 92.7620% (0.38 10.00   2.55  19.79) =  99.745%  kept
          HB3   LEU   73 - HA    ASN   28  11.10 +/- 4.72   5.422% *  0.9285% (0.38  1.00   0.20   1.14) =   0.086%
        T QB    ALA   84 - HA    ASN   28  18.44 +/- 5.87   1.323% *  2.4661% (1.00 10.00   0.02   0.02) =   0.055%
        T QB    ALA  124 - HA    ASN   28  19.67 +/- 5.90   1.109% *  2.2166% (0.90 10.00   0.02   0.02) =   0.042%
          HG    LEU   98 - HA    ASN   28  13.33 +/- 4.38   8.817% *  0.2385% (0.97  1.00   0.02   0.02) =   0.036%
          HG3   LYS+  33 - HA    ASN   28   8.42 +/- 0.81   6.687% *  0.0616% (0.25  1.00   0.02   0.02) =   0.007%
          HB3   LEU   80 - HA    ASN   28  19.15 +/- 8.47   2.825% *  0.1300% (0.53  1.00   0.02   0.70) =   0.006%
          HB2   LEU   63 - HA    ASN   28  16.68 +/- 3.56   1.863% *  0.1599% (0.65  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HA    ASN   28  16.40 +/- 3.54   1.329% *  0.1889% (0.76  1.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HA    ASN   28  12.81 +/- 2.38   2.507% *  0.0763% (0.31  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HA    ASN   28  20.38 +/- 3.66   0.766% *  0.2472% (1.00  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HA    ASN   28  17.52 +/- 4.58   1.567% *  0.1016% (0.41  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    ASN   28  17.74 +/- 3.92   1.006% *  0.1499% (0.61  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    ASN   28  19.48 +/- 3.88   0.814% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  25.26 +/- 4.24   0.456% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  25.61 +/- 3.78   0.271% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.61, support = 4.08, residual support = 19.3:
          HG    LEU   31 - HA    ASN   28   3.40 +/- 0.98  74.749% * 89.1281% (0.61   4.18  19.79) =  97.484%  kept
          QD2   LEU   73 - HA    ASN   28   8.47 +/- 3.80  17.726% *  9.5465% (0.76   0.36   1.14) =   2.476%  kept
          HG3   LYS+ 121 - HA    ASN   28  19.41 +/- 6.25   2.937% *  0.5377% (0.76   0.02   0.02) =   0.023%
          QD1   ILE   56 - HA    ASN   28  18.91 +/- 2.75   1.148% *  0.6791% (0.97   0.02   0.02) =   0.011%
          QD2   LEU  123 - HA    ASN   28  18.48 +/- 5.73   3.439% *  0.1086% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.87 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.7, residual support = 5.4:
      O   HN    GLY   16 - HA2   GLY   16   2.81 +/- 0.21  99.185% * 99.8461% (0.97  10.0   2.70   5.40) =  99.999%  kept
          HN    SER   82 - HA2   GLY   16  28.82 +/-10.37   0.580% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA2   GLY   16  22.87 +/- 3.41   0.235% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.5:
      O   HN    GLN   17 - HA2   GLY   16   3.45 +/- 0.05  87.023% * 99.5709% (0.65  10.0   3.26  17.49) =  99.990%  kept
          HD21  ASN   69 - HA2   GLY   16  13.64 +/- 8.50   9.659% *  0.0690% (0.45   1.0   0.02   0.02) =   0.008%
          HE3   TRP   87 - HA2   GLY   16  29.48 +/- 8.83   0.883% *  0.1232% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA2   GLY   16  19.48 +/- 5.67   0.755% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HA2   GLY   16  30.01 +/- 8.88   0.414% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  16.41 +/- 2.04   1.007% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  29.89 +/- 7.63   0.258% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.5:
      O   HN    GLN   17 - HA1   GLY   16   3.24 +/- 0.06  84.671% * 99.5709% (0.65  10.0   3.26  17.49) =  99.987%  kept
          HD21  ASN   69 - HA1   GLY   16  13.03 +/- 8.84  12.205% *  0.0690% (0.45   1.0   0.02   0.02) =   0.010%
          HE3   TRP   87 - HA1   GLY   16  28.71 +/- 8.81   0.918% *  0.1232% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA1   GLY   16  18.96 +/- 5.81   0.677% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HA1   GLY   16  29.27 +/- 8.91   0.382% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  15.80 +/- 1.81   0.900% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  29.14 +/- 7.86   0.248% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.7, residual support = 5.4:
      O   HN    GLY   16 - HA1   GLY   16   2.38 +/- 0.22  98.888% * 99.6694% (0.57  10.0   2.70   5.40) =  99.999%  kept
          HN    SER   82 - HA1   GLY   16  28.17 +/-10.46   0.443% *  0.1757% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA1   GLY   16  21.03 +/- 5.66   0.421% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  22.22 +/- 3.62   0.142% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  29.91 +/- 7.97   0.106% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.582, support = 4.32, residual support = 85.1:
      O T HB3   GLN   17 - QG    GLN   17   2.42 +/- 0.09  66.995% * 91.7655% (0.58  10.0 10.00   4.31  85.40) =  99.531%  kept
          HB2   LEU   71 - HB    VAL   70   6.53 +/- 0.41   3.638% *  7.0493% (0.15   1.0  1.00   5.85  34.22) =   0.415%  kept
          HB2   LEU   71 - QG    GLN   17  11.33 +/- 6.31   3.990% *  0.4883% (0.75   1.0  1.00   0.08   0.02) =   0.032%
          QB    LYS+  65 - QG    GLN   17  11.77 +/- 6.37   6.659% *  0.1159% (0.74   1.0  1.00   0.02   0.02) =   0.012%
        T HB3   GLN   17 - HB    VAL   70  13.35 +/- 5.98   1.094% *  0.1880% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QG    GLN   17  11.87 +/- 5.95   1.865% *  0.0494% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG    GLN   17  18.64 +/- 4.23   0.706% *  0.1077% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QG    GLN   17  15.14 +/- 5.19   2.204% *  0.0299% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG    GLN   17  19.00 +/- 4.95   2.455% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   8.48 +/- 0.52   1.664% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   6.89 +/- 0.77   3.569% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG    GLN   17  21.25 +/- 5.07   0.156% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  15.25 +/- 2.98   0.455% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  16.73 +/- 3.32   0.477% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.56 +/- 1.54   1.438% *  0.0061% (0.04   1.0  1.00   0.02   2.62) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  11.92 +/- 3.36   1.695% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  16.93 +/- 2.64   0.269% *  0.0169% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.77 +/- 2.86   0.672% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.483, support = 5.56, residual support = 83.7:
          HN    GLN   17 - QG    GLN   17   3.29 +/- 0.64  62.786% * 88.9235% (0.49   5.60  85.40) =  97.229%  kept
          HD21  ASN   69 - HB    VAL   70   6.10 +/- 1.14  16.678% *  9.4089% (0.07   4.18  25.17) =   2.733%  kept
          HD21  ASN   69 - QG    GLN   17  13.43 +/- 5.74   2.649% *  0.2199% (0.34   0.02   0.02) =   0.010%
          HN    GLN   17 - HB    VAL   70  12.62 +/- 6.54   6.539% *  0.0650% (0.10   0.02   0.02) =   0.007%
          HN    ALA   61 - QG    GLN   17  15.70 +/- 5.39   1.504% *  0.2388% (0.37   0.02   0.02) =   0.006%
          HE3   TRP   87 - HB    VAL   70  21.66 +/- 5.13   2.791% *  0.0805% (0.13   0.02   0.02) =   0.004%
          HE3   TRP   87 - QG    GLN   17  25.34 +/- 6.69   0.438% *  0.3928% (0.61   0.02   0.02) =   0.003%
          HN    ALA   61 - HB    VAL   70  10.39 +/- 1.18   2.732% *  0.0489% (0.08   0.02   0.02) =   0.002%
          HN    TRP   27 - QG    GLN   17  12.41 +/- 2.27   1.628% *  0.0757% (0.12   0.02   0.02) =   0.002%
          HN    TRP   87 - QG    GLN   17  25.47 +/- 6.72   0.280% *  0.2388% (0.37   0.02   0.02) =   0.001%
          HN    ALA   91 - QG    GLN   17  24.92 +/- 6.01   0.254% *  0.2017% (0.31   0.02   0.02) =   0.001%
          HN    TRP   87 - HB    VAL   70  22.34 +/- 3.46   0.560% *  0.0489% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  21.65 +/- 2.88   0.368% *  0.0413% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.56 +/- 2.27   0.792% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.5:
          HN    VAL   18 - QG    GLN   17   3.20 +/- 0.69  79.518% * 99.7449% (0.76   5.81  50.48) =  99.982%  kept
          HN    SER   13 - QG    GLN   17   9.04 +/- 2.16   8.454% *  0.0767% (0.17   0.02   0.02) =   0.008%
          HN    GLU-  29 - QG    GLN   17  12.96 +/- 3.13   5.728% *  0.0767% (0.17   0.02   0.02) =   0.006%
          HN    VAL   18 - HB    VAL   70  12.16 +/- 6.59   4.173% *  0.0704% (0.16   0.02   0.02) =   0.004%
          HN    GLU-  29 - HB    VAL   70  16.10 +/- 2.77   1.521% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  18.75 +/- 3.81   0.607% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 85.4:
      O   HN    GLN   17 - HB3   GLN   17   3.25 +/- 0.45  91.093% * 99.5709% (0.65  10.0   5.27  85.40) =  99.994%  kept
          HD21  ASN   69 - HB3   GLN   17  15.33 +/- 6.27   3.879% *  0.0690% (0.45   1.0   0.02   0.02) =   0.003%
          HN    ALA   61 - HB3   GLN   17  17.28 +/- 5.52   1.317% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  13.28 +/- 2.45   2.701% *  0.0237% (0.15   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   GLN   17  27.81 +/- 7.40   0.496% *  0.1232% (0.80   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   GLN   17  27.92 +/- 7.43   0.272% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  27.33 +/- 6.44   0.242% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.5:
          HN    VAL   18 - HB3   GLN   17   3.05 +/- 0.82  84.704% * 99.8370% (1.00   5.47  50.48) =  99.985%  kept
          HN    SER   13 - HB3   GLN   17   9.83 +/- 2.43  13.675% *  0.0815% (0.22   0.02   0.02) =   0.013%
          HN    GLU-  29 - HB3   GLN   17  14.11 +/- 3.14   1.621% *  0.0815% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.99, residual support = 85.3:
      O T HB3   GLN   17 - HA    GLN   17   2.72 +/- 0.19  70.137% * 98.2767% (0.76  10.0 10.00   4.00  85.40) =  99.847%  kept
          QB    LYS+  65 - HA    GLN   17  12.84 +/- 7.33   6.620% *  1.2690% (0.97   1.0  1.00   0.20   0.02) =   0.122%  kept
          HB2   LEU   71 - HA    GLN   17  11.97 +/- 7.82  14.525% *  0.1260% (0.98   1.0  1.00   0.02   0.02) =   0.027%
          QB    LYS+  66 - HA    GLN   17  12.72 +/- 7.09   2.884% *  0.0529% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HA    GLN   17  19.87 +/- 4.68   0.584% *  0.1153% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    GLN   17  16.04 +/- 6.12   1.914% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    GLN   17  20.14 +/- 5.88   2.594% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    GLN   17  23.01 +/- 5.99   0.250% *  0.0883% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  17.65 +/- 3.76   0.492% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.15, residual support = 85.3:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  81.778% * 94.0226% (0.18  10.0 10.00   4.16  85.40) =  99.930%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.33 +/- 0.95   2.312% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.032%
        T HB3   GLN   17 - HB3   PRO   68  15.08 +/- 6.84   0.426% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.013%
          QB    LYS+  66 - HB3   PRO   68   5.74 +/- 1.53   4.595% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU   71 - QB    GLU-  15  11.71 +/- 6.69   2.637% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HB3   PRO   68   8.64 +/- 1.25   0.992% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HB2   GLN   17  12.52 +/- 6.95   1.539% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   GLN   17  13.35 +/- 6.64   1.299% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB3   PRO   68  10.79 +/- 1.30   0.414% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - QB    GLU-  15  14.54 +/- 4.82   0.284% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  13.94 +/- 5.18   0.520% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.30 +/- 3.50   0.101% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  13.57 +/- 6.23   0.543% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.82 +/- 5.77   0.543% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  16.42 +/- 4.41   0.343% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.21 +/- 3.99   0.129% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.64 +/- 2.32   0.199% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  20.94 +/- 3.03   0.070% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  20.76 +/- 4.41   0.113% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  15.33 +/- 4.93   0.279% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  23.59 +/- 4.50   0.052% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  18.73 +/- 3.20   0.093% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.14 +/- 5.26   0.232% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  23.84 +/- 5.09   0.049% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.06 +/- 4.92   0.187% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  16.50 +/- 3.05   0.141% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  18.63 +/- 3.57   0.131% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.2:
      O   HA    PRO   68 - HB3   PRO   68   2.43 +/- 0.20  95.822% * 99.9155% (0.19  10.0   2.96  36.16) =  99.998%  kept
          HA    PRO   68 - QB    GLU-  15  13.43 +/- 6.96   1.993% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17  14.01 +/- 7.60   2.185% *  0.0398% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.46, residual support = 50.4:
          HN    VAL   18 - HB2   GLN   17   3.44 +/- 0.50  60.106% * 97.9580% (0.24   5.47  50.48) =  99.868%  kept
          HN    VAL   18 - QB    GLU-  15   7.93 +/- 0.76   6.372% *  0.4022% (0.27   0.02   0.02) =   0.043%
          HN    VAL   18 - HB3   PRO   68  14.69 +/- 6.75   2.633% *  0.8991% (0.61   0.02   0.02) =   0.040%
          HN    SER   13 - QB    GLU-  15   7.22 +/- 1.30  10.129% *  0.0897% (0.06   0.02   0.02) =   0.015%
          HN    SER   13 - HB2   GLN   17   9.60 +/- 2.12   9.821% *  0.0800% (0.05   0.02   0.02) =   0.013%
          HN    GLU-  29 - QB    GLU-  15  13.05 +/- 3.49   6.594% *  0.0897% (0.06   0.02   0.02) =   0.010%
          HN    GLU-  29 - HB3   PRO   68  19.86 +/- 4.99   1.240% *  0.2006% (0.14   0.02   0.02) =   0.004%
          HN    GLU-  29 - HB2   GLN   17  13.82 +/- 3.43   2.442% *  0.0800% (0.05   0.02   0.02) =   0.003%
          HN    SER   13 - HB3   PRO   68  19.34 +/- 5.55   0.663% *  0.2006% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.5:
      O   HN    VAL   18 - HA    GLN   17   2.54 +/- 0.14  99.004% * 99.9233% (0.84  10.0   5.47  50.48) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   17  14.55 +/- 2.91   0.847% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  28.19 +/- 8.69   0.148% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.618, support = 0.02, residual support = 0.522:
        T QB    ALA   64 - HA    GLN   17  10.86 +/- 6.81  48.746% * 38.1619% (0.69 10.00   0.02   0.85) =  60.529%  kept
        T QG1   VAL   42 - HA    GLN   17  12.13 +/- 5.37  34.456% * 27.0421% (0.49 10.00   0.02   0.02) =  30.318%  kept
        T QB    ALA   47 - HA    GLN   17  21.21 +/- 5.87   8.063% * 33.6965% (0.61 10.00   0.02   0.02) =   8.841%  kept
          HG2   LYS+ 112 - HA    GLN   17  23.48 +/- 5.54   8.734% *  1.0994% (0.20  1.00   0.02   0.02) =   0.312%  kept
    Distance limit 3.16 A violated in 19 structures by 6.29 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   2.47 +/- 0.28  98.624% * 99.9233% (0.84  10.0   4.99  76.31) =  99.999%  kept
          HN    GLU-  29 - HB    VAL   18  13.29 +/- 2.67   1.151% *  0.0582% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB    VAL   18  25.66 +/- 8.51   0.225% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.547, support = 0.839, residual support = 2.09:
        T HB2   PHE   72 - HA    VAL   18   9.51 +/- 7.34  41.717% * 84.2485% (0.49 10.00   0.86   1.32) =  87.034%  kept
          HA    ALA   64 - HA    VAL   18  10.59 +/- 7.92  33.770% * 14.8519% (0.98  1.00   0.75   7.55) =  12.420%  kept
        T HB3   ASN   35 - HA    VAL   18  15.98 +/- 2.16  24.513% *  0.8996% (0.22 10.00   0.02   0.02) =   0.546%  kept
    Distance limit 3.87 A violated in 9 structures by 3.67 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.85, residual support = 22.5:
      O   HN    ILE   19 - HA    VAL   18   2.21 +/- 0.04  91.336% * 96.0684% (0.73  10.0   4.86  22.56) =  99.722%  kept
          HN    LEU   73 - HA    VAL   18   9.71 +/- 7.91   6.399% *  3.7801% (0.92   1.0   0.62   0.58) =   0.275%  kept
          HN    VAL   42 - HA    VAL   18  12.07 +/- 6.56   2.104% *  0.1221% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  19.67 +/- 2.83   0.161% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.622, support = 0.681, residual support = 0.518:
          HG    LEU   73 - QG1   VAL   18   9.00 +/- 6.50  17.175% * 78.4656% (0.61   0.76   0.58) =  89.103%  kept
          HG    LEU   67 - QG1   VAL   18  10.35 +/- 6.90  12.667% *  3.3874% (1.00   0.02   0.02) =   2.837%  kept
          QB    ALA  120 - QG1   VAL   18  12.85 +/- 3.08  12.596% *  2.3320% (0.69   0.02   0.02) =   1.942%  kept
          HG    LEU   40 - QG1   VAL   18  10.77 +/- 3.87   7.088% *  3.3649% (0.99   0.02   0.02) =   1.577%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.14 +/- 3.17   6.854% *  2.4652% (0.73   0.02   0.02) =   1.117%  kept
          HB3   LEU   40 - QG1   VAL   18  10.99 +/- 4.18   7.382% *  1.5220% (0.45   0.02   0.02) =   0.743%  kept
          HB3   LEU   67 - QG1   VAL   18  10.18 +/- 7.08  12.412% *  0.8465% (0.25   0.02   0.02) =   0.695%  kept
          HB3   LEU  115 - QG1   VAL   18  14.53 +/- 3.94   2.711% *  3.3649% (0.99   0.02   0.02) =   0.603%  kept
          QG    LYS+  66 - QG1   VAL   18  11.41 +/- 5.44   6.185% *  1.3957% (0.41   0.02   0.02) =   0.571%  kept
          QB    ALA   61 - QG1   VAL   18  10.12 +/- 5.27  12.462% *  0.5238% (0.15   0.02   0.12) =   0.432%  kept
          HG    LEU  115 - QG1   VAL   18  14.43 +/- 3.43   2.468% *  2.3320% (0.69   0.02   0.02) =   0.380%  kept
    Distance limit 2.99 A violated in 11 structures by 2.26 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 2.81, residual support = 6.88:
        T QB    ALA   34 - QG1   VAL   41   4.22 +/- 2.27  32.246% * 97.8928% (0.49 10.00   2.82   6.90) =  99.611%  kept
        T QB    ALA   34 - QG2   VAL   18   9.21 +/- 2.49  10.969% *  0.7481% (0.37 10.00   0.02   0.02) =   0.259%  kept
          QG2   THR   23 - QG2   VAL   18   9.23 +/- 2.12  11.592% *  0.1284% (0.64  1.00   0.02   0.02) =   0.047%
        T QG2   ILE   56 - QG1   VAL   41  14.24 +/- 1.22   1.531% *  0.6207% (0.31 10.00   0.02   0.02) =   0.030%
          QG2   THR   77 - QG2   VAL   18  12.46 +/- 4.96   5.908% *  0.0932% (0.46  1.00   0.02   0.02) =   0.017%
          QG2   THR   77 - QG1   VAL   41  11.76 +/- 1.39   2.657% *  0.1220% (0.61  1.00   0.02   0.02) =   0.010%
          QG2   THR   23 - QG1   VAL   41  13.31 +/- 2.29   1.273% *  0.1680% (0.84  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  38 - QG1   VAL   41   8.76 +/- 1.35   4.836% *  0.0352% (0.18  1.00   0.02   0.02) =   0.005%
          QG2   ILE   56 - QG2   VAL   18  13.10 +/- 4.14   2.979% *  0.0474% (0.24  1.00   0.02   0.02) =   0.004%
          QB    ALA   88 - QG1   VAL   41  16.70 +/- 3.15   1.503% *  0.0501% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - QG2   VAL   18  16.00 +/- 3.55   2.297% *  0.0269% (0.13  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - QD2   LEU  104   7.91 +/- 1.66  10.934% *  0.0053% (0.03  1.00   0.02   0.02) =   0.002%
          QG2   THR   23 - QD2   LEU  104  15.69 +/- 4.00   5.441% *  0.0090% (0.04  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   18  19.64 +/- 4.52   0.800% *  0.0383% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD2   LEU  104  13.95 +/- 1.52   1.303% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.47 +/- 1.82   1.372% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  12.01 +/- 2.13   1.701% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  17.56 +/- 2.87   0.657% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 9 structures by 1.57 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.83, support = 4.2, residual support = 74.7:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.01  41.874% * 91.1533% (0.84  10.0 10.00   4.22  75.23) =  98.854%  kept
          HB3   GLN   17 - QG2   VAL   18   4.53 +/- 1.05   6.768% *  3.4089% (0.15   1.0  1.00   4.13  50.48) =   0.597%  kept
          HB2   LEU   71 - QG1   VAL   41   6.24 +/- 2.16   4.058% *  3.1818% (0.69   1.0  1.00   0.85   3.03) =   0.334%  kept
          QB    LYS+  65 - QG2   VAL   18   9.41 +/- 6.15  12.186% *  0.4918% (0.55   1.0  1.00   0.16   0.02) =   0.155%  kept
        T HB    VAL   41 - QG2   VAL   18  12.59 +/- 4.16   1.062% *  0.6966% (0.64   1.0 10.00   0.02   0.02) =   0.019%
          HB2   LEU   71 - QG2   VAL   18  10.12 +/- 5.46   9.130% *  0.0573% (0.52   1.0  1.00   0.02   0.02) =   0.014%
          QB    LYS+ 102 - QG1   VAL   41   7.46 +/- 2.05   4.216% *  0.0912% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          HG12  ILE  103 - QG1   VAL   41   6.67 +/- 1.72   2.786% *  0.0750% (0.69   1.0  1.00   0.02   0.02) =   0.005%
        T HB    VAL   41 - QD2   LEU  104   7.04 +/- 1.91   2.014% *  0.0490% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QG2   VAL   18  10.44 +/- 5.43   1.215% *  0.0805% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QG1   VAL   41  13.82 +/- 4.65   1.679% *  0.0216% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.79 +/- 1.13   6.253% *  0.0049% (0.04   1.0  1.00   0.02   0.33) =   0.001%
          HG2   PRO   93 - QG2   VAL   18  16.61 +/- 5.06   0.335% *  0.0817% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  12.40 +/- 1.35   0.253% *  0.1053% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG1   VAL   41  16.23 +/- 1.96   0.162% *  0.1070% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.33 +/- 1.05   0.177% *  0.0792% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.64 +/- 1.22   3.442% *  0.0040% (0.04   1.0  1.00   0.02  37.42) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  16.04 +/- 3.59   0.198% *  0.0573% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.31 +/- 3.96   0.320% *  0.0343% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.19 +/- 3.18   0.154% *  0.0697% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.20 +/- 4.54   0.179% *  0.0449% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.65 +/- 2.80   0.612% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  20.26 +/- 5.11   0.065% *  0.0343% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.86 +/- 1.00   0.045% *  0.0449% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  14.56 +/- 2.72   0.232% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.72 +/- 1.33   0.094% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.80 +/- 2.13   0.125% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  15.15 +/- 3.85   0.174% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  16.89 +/- 2.96   0.140% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.99 +/- 3.06   0.053% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.498, support = 3.33, residual support = 18.5:
          HB3   LEU   40 - QG1   VAL   41   5.02 +/- 0.31  11.904% * 85.7732% (0.46   3.76  21.05) =  88.026%  kept
          HG2   LYS+  65 - QG2   VAL   18  10.49 +/- 7.34  16.456% *  6.1065% (0.76   0.16   0.02) =   8.664%  kept
          HB2   LYS+  74 - QG2   VAL   18   9.41 +/- 7.04  12.250% *  0.9752% (0.99   0.02   1.29) =   1.030%  kept
          QG2   THR   26 - QG2   VAL   18   7.44 +/- 2.35  13.143% *  0.8218% (0.84   0.02   0.02) =   0.931%  kept
          HB3   LEU   40 - QG2   VAL   18  11.25 +/- 4.19   6.788% *  0.5968% (0.61   0.02   0.02) =   0.349%  kept
          QD    LYS+  66 - QG2   VAL   18  11.23 +/- 5.91   8.151% *  0.3037% (0.31   0.02   0.02) =   0.213%  kept
          HB2   LYS+  74 - QG1   VAL   41  11.71 +/- 2.59   2.146% *  0.7453% (0.76   0.02   0.02) =   0.138%  kept
          QB    ALA  120 - QG2   VAL   18  13.03 +/- 3.32   3.522% *  0.3693% (0.38   0.02   0.02) =   0.112%  kept
          QG2   THR   26 - QG1   VAL   41  10.42 +/- 2.61   1.967% *  0.6281% (0.64   0.02   0.02) =   0.107%  kept
          HD2   LYS+ 121 - QG2   VAL   18  14.50 +/- 3.71   1.805% *  0.6759% (0.69   0.02   0.02) =   0.105%  kept
          HD2   LYS+ 121 - QG1   VAL   41  12.47 +/- 4.57   1.884% *  0.5165% (0.52   0.02   0.02) =   0.084%
          QG2   THR   26 - QD2   LEU  104  12.93 +/- 3.74   6.015% *  0.1263% (0.13   0.02   0.02) =   0.065%
          HD2   LYS+ 121 - QD2   LEU  104   9.75 +/- 4.30   5.096% *  0.1039% (0.11   0.02   0.02) =   0.046%
          HG    LEU  115 - QG2   VAL   18  14.71 +/- 3.55   0.682% *  0.3693% (0.38   0.02   0.02) =   0.022%
          HG2   LYS+  65 - QG1   VAL   41  15.27 +/- 1.26   0.437% *  0.5746% (0.58   0.02   0.02) =   0.022%
          QB    ALA  120 - QG1   VAL   41  13.35 +/- 3.15   0.797% *  0.2822% (0.29   0.02   0.02) =   0.019%
          HB3   LEU   40 - QD2   LEU  104   8.89 +/- 1.45   2.417% *  0.0917% (0.09   0.02   0.02) =   0.019%
          HG    LEU  115 - QG1   VAL   41  14.84 +/- 2.23   0.636% *  0.2822% (0.29   0.02   0.02) =   0.015%
          QD    LYS+  66 - QG1   VAL   41  13.65 +/- 1.56   0.577% *  0.2321% (0.24   0.02   0.02) =   0.012%
          QB    ALA  120 - QD2   LEU  104  11.30 +/- 3.06   1.351% *  0.0567% (0.06   0.02   0.02) =   0.007%
          HB2   LYS+  74 - QD2   LEU  104  16.10 +/- 2.38   0.406% *  0.1499% (0.15   0.02   0.02) =   0.005%
          HG    LEU  115 - QD2   LEU  104  13.81 +/- 2.00   0.623% *  0.0567% (0.06   0.02   0.02) =   0.003%
          HG2   LYS+  65 - QD2   LEU  104  18.24 +/- 2.29   0.285% *  0.1155% (0.12   0.02   0.02) =   0.003%
          QD    LYS+  66 - QD2   LEU  104  15.81 +/- 3.35   0.663% *  0.0467% (0.05   0.02   0.02) =   0.003%
    Distance limit 2.95 A violated in 0 structures by 0.52 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.818, support = 0.02, residual support = 0.0966:
        T HA    ALA   61 - QG2   VAL   18  10.89 +/- 6.54  20.676% * 46.5616% (0.87 10.00   0.02   0.12) =  73.937%  kept
        T HA    ALA   61 - QG1   VAL   41  14.02 +/- 1.20   4.423% * 35.5837% (0.66 10.00   0.02   0.02) =  12.088%  kept
          HD2   PRO   68 - QG2   VAL   18  11.27 +/- 5.04  12.605% *  5.2615% (0.98  1.00   0.02   0.02) =   5.094%  kept
          HD2   PRO   68 - QG1   VAL   41  10.98 +/- 2.03  11.421% *  4.0210% (0.75  1.00   0.02   0.02) =   3.527%  kept
          HA    VAL   24 - QG2   VAL   18  10.42 +/- 1.86  14.886% *  2.6128% (0.49  1.00   0.02   0.02) =   2.987%  kept
          HA    VAL   24 - QG1   VAL   41  12.26 +/- 2.33   6.568% *  1.9968% (0.37  1.00   0.02   0.02) =   1.007%  kept
          HA    VAL   24 - QD2   LEU  104  14.99 +/- 4.67  12.064% *  0.4015% (0.07  1.00   0.02   0.02) =   0.372%  kept
          HD2   PRO   68 - QD2   LEU  104  13.93 +/- 2.81   5.589% *  0.8085% (0.15  1.00   0.02   0.02) =   0.347%  kept
          HD3   PRO   58 - QG2   VAL   18  14.98 +/- 4.81   3.604% *  1.0623% (0.20  1.00   0.02   0.02) =   0.294%  kept
          HA    ALA   61 - QD2   LEU  104  16.25 +/- 2.38   3.313% *  0.7155% (0.13  1.00   0.02   0.02) =   0.182%  kept
          HD3   PRO   58 - QG1   VAL   41  17.56 +/- 1.14   2.097% *  0.8118% (0.15  1.00   0.02   0.02) =   0.131%  kept
          HD3   PRO   58 - QD2   LEU  104  17.70 +/- 2.70   2.752% *  0.1632% (0.03  1.00   0.02   0.02) =   0.034%
    Distance limit 2.96 A violated in 17 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.23, residual support = 75.2:
      O T HA    VAL   41 - QG1   VAL   41   2.61 +/- 0.29  82.726% * 98.8372% (0.65  10.0 10.00   4.24  75.23) =  99.941%  kept
        T HA    VAL   41 - QG2   VAL   18  11.63 +/- 4.81   5.565% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.051%
        T HA    VAL   41 - QD2   LEU  104   8.62 +/- 1.49   3.314% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG2   VAL   18  14.16 +/- 6.04   1.483% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG1   VAL   41  12.34 +/- 0.65   0.829% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  12.70 +/- 5.47   1.960% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  13.04 +/- 3.14   1.212% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  11.60 +/- 5.01   2.300% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.58 +/- 1.92   0.610% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QG1   VAL   18   9.71 +/- 5.33  36.471% * 36.4324% (1.00   0.02   0.02) =  51.919%  kept
          HN    LYS+  66 - QG1   VAL   18  10.96 +/- 6.18  29.527% * 25.0257% (0.69   0.02   0.02) =  28.873%  kept
          HN    LYS+  81 - QG1   VAL   18  17.98 +/- 8.27   9.668% * 30.4309% (0.84   0.02   0.02) =  11.496%  kept
          QE    PHE   59 - QG1   VAL   18  11.23 +/- 3.29  24.335% *  8.1111% (0.22   0.02   0.02) =   7.712%  kept
    Distance limit 3.16 A violated in 19 structures by 4.67 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 = 76.3:
          HN    VAL   18 - QG1   VAL   18   3.56 +/- 0.31  91.252% * 99.8230% (0.92   5.48  76.31) =  99.983%  kept
          HN    SER   13 - QG1   VAL   18  12.24 +/- 2.54   8.748% *  0.1770% (0.45   0.02   0.02) =   0.017%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.314, support = 1.46, residual support = 1.27:
          HN    LYS+  74 - QG1   VAL   18   8.06 +/- 7.57  58.408% * 92.3547% (0.31   1.49   1.29) =  98.369%  kept
          HN    THR   46 - QG1   VAL   18  14.13 +/- 6.75  12.355% *  2.9203% (0.73   0.02   0.02) =   0.658%  kept
          HN    MET   92 - QG1   VAL   18  17.48 +/- 6.22   8.307% *  3.6068% (0.90   0.02   0.02) =   0.546%  kept
          HN    ASP- 113 - QG1   VAL   18  18.38 +/- 4.05  20.931% *  1.1182% (0.28   0.02   0.02) =   0.427%  kept
    Distance limit 3.61 A violated in 7 structures by 3.78 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.821, support = 4.81, residual support = 22.1:
          HN    ILE   19 - QG1   VAL   18   2.84 +/- 0.37  67.704% * 94.6902% (0.84   4.89  22.56) =  97.810%  kept
          HN    LEU   73 - QG1   VAL   18   7.92 +/- 6.92  27.416% *  5.2181% (0.20   1.14   0.58) =   2.183%  kept
          HN    VAL   42 - QG1   VAL   18  10.31 +/- 5.48   4.880% *  0.0917% (0.20   0.02   0.02) =   0.007%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.734, support = 0.02, residual support = 0.02:
          HN    LYS+  66 - QG2   VAL   18  10.43 +/- 6.45  19.017% * 16.9341% (0.98   0.02   0.02) =  34.675%  kept
          QD    PHE   60 - QG2   VAL   18  10.12 +/- 4.96  14.758% * 13.8337% (0.80   0.02   0.02) =  21.984%  kept
          QD    PHE   60 - QG1   VAL   41  11.30 +/- 1.52   8.848% * 10.5721% (0.61   0.02   0.02) =  10.072%  kept
          QE    PHE   59 - QG1   VAL   41  11.18 +/- 2.24  10.014% *  7.4749% (0.43   0.02   0.02) =   8.060%  kept
          HN    LYS+  66 - QG1   VAL   41  13.29 +/- 1.13   5.384% * 12.9415% (0.75   0.02   0.02) =   7.502%  kept
          QE    PHE   59 - QG2   VAL   18  11.47 +/- 3.36   6.765% *  9.7810% (0.57   0.02   0.02) =   7.124%  kept
          HN    LYS+  81 - QG2   VAL   18  18.65 +/- 7.54   2.873% *  7.7455% (0.45   0.02   0.02) =   2.396%  kept
          QE    PHE   59 - QD2   LEU  104  10.82 +/- 2.23  10.460% *  1.5030% (0.09   0.02   0.02) =   1.693%  kept
          HN    PHE   59 - QG2   VAL   18  13.66 +/- 4.57   3.878% *  3.8463% (0.22   0.02   0.02) =   1.606%  kept
          HN    LYS+  81 - QG1   VAL   41  17.76 +/- 3.16   2.395% *  5.9193% (0.34   0.02   0.02) =   1.526%  kept
          QD    PHE   60 - QD2   LEU  104  12.66 +/- 2.56   6.231% *  2.1257% (0.12   0.02   0.02) =   1.426%  kept
          HN    PHE   59 - QG1   VAL   41  15.93 +/- 1.31   2.713% *  2.9394% (0.17   0.02   0.02) =   0.859%  kept
          HN    LYS+  66 - QD2   LEU  104  16.02 +/- 2.61   2.538% *  2.6021% (0.15   0.02   0.02) =   0.711%  kept
          HN    LYS+  81 - QD2   LEU  104  21.23 +/- 3.73   1.575% *  1.1902% (0.07   0.02   0.02) =   0.202%  kept
          HN    PHE   59 - QD2   LEU  104  16.14 +/- 2.32   2.552% *  0.5910% (0.03   0.02   0.02) =   0.162%  kept
    Distance limit 3.21 A violated in 17 structures by 2.95 A, eliminated.
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.23, residual support = 76.3:
          HN    VAL   18 - QG2   VAL   18   2.38 +/- 0.57  75.653% * 98.1337% (0.61   5.24  76.31) =  99.938%  kept
          HN    GLU-  29 - QG2   VAL   18  10.95 +/- 2.70   2.786% *  0.4488% (0.73   0.02   0.02) =   0.017%
          HN    VAL   18 - QG1   VAL   41  12.99 +/- 4.61   3.756% *  0.2865% (0.46   0.02   0.02) =   0.014%
          HN    GLN   30 - QG2   VAL   18   9.88 +/- 2.47   5.704% *  0.1541% (0.25   0.02   0.02) =   0.012%
          HN    GLU-  29 - QG1   VAL   41  11.18 +/- 2.62   1.664% *  0.3430% (0.55   0.02   0.02) =   0.008%
          HN    GLN   30 - QG1   VAL   41   9.48 +/- 2.71   3.625% *  0.1178% (0.19   0.02   0.02) =   0.006%
          HN    GLU-  29 - QD2   LEU  104  14.08 +/- 3.61   1.661% *  0.0690% (0.11   0.02   0.02) =   0.002%
          HN    ASP-  86 - QG1   VAL   41  17.73 +/- 3.31   0.625% *  0.1458% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QD2   LEU  104  12.76 +/- 3.44   3.184% *  0.0237% (0.04   0.02   0.68) =   0.001%
          HN    ASP-  86 - QG2   VAL   18  21.06 +/- 6.38   0.312% *  0.1908% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - QD2   LEU  104  15.89 +/- 2.86   0.629% *  0.0576% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  19.91 +/- 4.03   0.401% *  0.0293% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.54, residual support = 75.1:
          HN    VAL   41 - QG1   VAL   41   2.38 +/- 0.48  86.015% * 96.5573% (0.14   4.54  75.23) =  99.867%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.01 +/- 1.00   4.689% *  1.9988% (0.01   1.20   0.23) =   0.113%  kept
          HN    LYS+ 106 - QG1   VAL   41  11.26 +/- 1.34   1.424% *  0.6214% (0.20   0.02   0.02) =   0.011%
          HN    VAL   41 - QG2   VAL   18  11.95 +/- 3.72   1.624% *  0.3248% (0.10   0.02   0.02) =   0.006%
          HN    LYS+ 106 - QG2   VAL   18  16.86 +/- 2.45   0.321% *  0.4749% (0.15   0.02   0.02) =   0.002%
          HN    VAL   41 - QD2   LEU  104   6.95 +/- 1.39   5.927% *  0.0228% (0.01   0.02   0.02) =   0.002%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.33, residual support = 84.8:
          HN    VAL   83 - QG1   VAL   83   2.54 +/- 0.47  96.101% * 98.5329% (0.36   5.33  84.83) =  99.981%  kept
          HN    CYS   50 - QG1   VAL   83  14.35 +/- 2.69   1.120% *  0.7801% (0.75   0.02   0.02) =   0.009%
          HN    TRP   49 - QG1   VAL   83  13.48 +/- 2.21   1.282% *  0.5091% (0.49   0.02   0.02) =   0.007%
          HE22  GLN   30 - QG1   VAL   83  16.06 +/- 5.61   1.497% *  0.1780% (0.17   0.02   0.02) =   0.003%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.64, support = 0.02, residual support = 0.02:
        T QG1   VAL  107 - QG1   VAL   83  12.95 +/- 3.23  23.247% * 62.4465% (0.75 10.00   0.02   0.02) =  70.738%  kept
        T HG    LEU   63 - QG1   VAL   83  16.55 +/- 3.63  13.756% * 27.0188% (0.33 10.00   0.02   0.02) =  18.110%  kept
          QG2   VAL   24 - QG1   VAL   83  11.58 +/- 6.44  29.585% *  3.7876% (0.46  1.00   0.02   0.02) =   5.460%  kept
          QG1   VAL   24 - QG1   VAL   83  11.92 +/- 5.93  21.626% *  3.7876% (0.46  1.00   0.02   0.02) =   3.991%  kept
          HD3   LYS+ 112 - QG1   VAL   83  18.16 +/- 2.98  11.787% *  2.9596% (0.36  1.00   0.02   0.02) =   1.700%  kept
    Distance limit 3.05 A violated in 15 structures by 5.56 A, eliminated.
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.457, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  13.07 +/- 3.71  28.391% * 27.9530% (0.14 10.00   0.02   0.02) =  49.375%  kept
          HB3   PHE   97 - HA    ILE   19  17.46 +/- 1.64  11.670% * 19.0666% (0.92  1.00   0.02   0.02) =  13.843%  kept
          HB2   PRO   58 - HA    ILE   19  20.00 +/- 4.23  11.256% * 19.0666% (0.92  1.00   0.02   0.02) =  13.352%  kept
          HB2   GLN  116 - HA    ILE   19  21.73 +/- 4.48   8.573% * 16.5389% (0.80  1.00   0.02   0.02) =   8.821%  kept
          HB2   GLU- 100 - HA    ILE   19  19.62 +/- 3.25   9.725% * 14.1878% (0.69  1.00   0.02   0.02) =   8.584%  kept
          QG    GLU-  79 - HA    ILE   19  16.33 +/- 7.72  30.384% *  3.1869% (0.15  1.00   0.02   0.02) =   6.024%  kept
    Distance limit 3.88 A violated in 19 structures by 6.26 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.04, residual support = 25.6:
      O   HN    ALA   20 - HA    ILE   19   2.27 +/- 0.09  99.529% * 99.9363% (0.73  10.0   5.04  25.63) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  17.30 +/- 4.73   0.357% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  23.64 +/- 3.09   0.114% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.8, residual support = 173.6:
      O   HN    ILE   19 - HA    ILE   19   2.90 +/- 0.03  89.174% * 99.8764% (0.98  10.0   6.80 173.62) =  99.992%  kept
          HN    LEU   73 - HA    ILE   19   9.61 +/- 6.17   8.788% *  0.0618% (0.61   1.0   0.02   4.66) =   0.006%
          HN    VAL   42 - HA    ILE   19  13.03 +/- 4.44   2.039% *  0.0618% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.66:
          HA    LEU   73 - HB    ILE   19   8.23 +/- 7.33 100.000% *100.0000% (0.95   2.00   4.66) = 100.000%  kept
    Distance limit 3.93 A violated in 9 structures by 4.82 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.653, support = 5.93, residual support = 170.1:
      O   HN    ILE   19 - HB    ILE   19   2.98 +/- 0.59  77.772% * 91.8931% (0.65  10.0   6.03 173.62) =  97.931%  kept
          HN    LEU   73 - HB    ILE   19   8.58 +/- 6.24  18.988% *  7.9303% (0.97   1.0   1.16   4.66) =   2.063%  kept
          HN    VAL   42 - HB    ILE   19  11.89 +/- 4.89   2.831% *  0.1371% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HB    ILE   19  19.99 +/- 2.53   0.410% *  0.0395% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 173.4:
      O   HG13  ILE   19 - QG2   ILE   19   2.79 +/- 0.39  62.994% * 98.1968% (0.28  10.0   4.89 173.62) =  99.854%  kept
          QG2   THR   23 - QG2   ILE   19   7.19 +/- 1.38  12.075% *  0.2699% (0.76   1.0   0.02   0.02) =   0.053%
          QG2   THR   39 - QG2   ILE   19   9.98 +/- 3.87  11.563% *  0.2142% (0.61   1.0   0.02   0.02) =   0.040%
          QB    ALA   34 - QG2   ILE   19   7.49 +/- 1.93   7.057% *  0.3501% (0.99   1.0   0.02   0.02) =   0.040%
          QB    ALA   91 - QG2   ILE   19  16.56 +/- 4.26   1.108% *  0.2142% (0.61   1.0   0.02   0.02) =   0.004%
          HG3   LYS+  38 - QG2   ILE   19  14.39 +/- 2.16   0.649% *  0.3064% (0.87   1.0   0.02   0.02) =   0.003%
          QG2   ILE   56 - QG2   ILE   19  14.79 +/- 2.53   0.574% *  0.3462% (0.98   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  74 - QG2   ILE   19  10.39 +/- 4.98   3.386% *  0.0478% (0.14   1.0   0.02   7.89) =   0.003%
          HG3   LYS+  99 - QG2   ILE   19  14.64 +/- 2.70   0.594% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.945, support = 5.43, residual support = 173.2:
      O   HG12  ILE   19 - QG2   ILE   19   2.63 +/- 0.37  68.156% * 97.9219% (0.95  10.0  1.00   5.44 173.62) =  99.750%  kept
          HG    LEU   73 - QG2   ILE   19   8.01 +/- 5.25  12.439% *  1.2407% (0.53   1.0  1.00   0.46   4.66) =   0.231%  kept
          HD3   LYS+ 121 - QG2   ILE   19  15.87 +/- 5.21   6.458% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LEU   98 - QG2   ILE   19  12.42 +/- 2.37   1.113% *  0.1813% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   80 - QG2   ILE   19  16.34 +/- 8.28   1.927% *  0.1026% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QG2   ILE   19   8.97 +/- 5.15   5.042% *  0.0389% (0.38   1.0  1.00   0.02   7.89) =   0.003%
          HB3   LEU   67 - QG2   ILE   19  12.37 +/- 4.66   1.364% *  0.0928% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - QG2   ILE   19  12.40 +/- 2.97   0.900% *  0.1015% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   ILE   19  16.30 +/- 7.54   1.152% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QG2   ILE   19  13.55 +/- 3.41   0.762% *  0.0752% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  16.86 +/- 1.93   0.327% *  0.1015% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  18.09 +/- 3.02   0.360% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.795, support = 4.85, residual support = 171.6:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.02  61.622% * 95.1366% (0.80  10.0   4.89 173.62) =  98.751%  kept
          HG3   GLN   30 - QG2   ILE   19   5.41 +/- 2.87  20.952% *  2.9758% (0.22   1.0   2.25  13.23) =   1.050%  kept
          HB2   GLN   17 - QG2   ILE   19   5.74 +/- 1.62   8.337% *  1.2997% (0.92   1.0   0.24   0.02) =   0.183%  kept
          QB    GLU-  15 - QG2   ILE   19   6.72 +/- 1.37   5.464% *  0.1097% (0.92   1.0   0.02   0.02) =   0.010%
          HB3   GLU-  25 - QG2   ILE   19   9.49 +/- 2.10   2.310% *  0.1185% (1.00   1.0   0.02   0.02) =   0.005%
          HG2   PRO   68 - QG2   ILE   19  14.34 +/- 3.10   0.595% *  0.0863% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE   19  14.31 +/- 3.55   0.482% *  0.0673% (0.57   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - QG2   ILE   19  17.72 +/- 2.89   0.158% *  0.1031% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.33 +/- 3.15   0.081% *  0.1031% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.649, support = 2.07, residual support = 13.1:
          HG2   GLN   30 - QG2   ILE   19   4.93 +/- 2.55  56.969% * 96.4936% (0.65   2.09  13.23) =  99.170%  kept
          QE    LYS+ 121 - QG2   ILE   19  14.30 +/- 4.77  19.526% *  1.4272% (1.00   0.02   0.02) =   0.503%  kept
          HB3   HIS  122 - QG2   ILE   19  13.55 +/- 4.40   8.000% *  1.2407% (0.87   0.02   0.02) =   0.179%  kept
          HB3   ASN   28 - QG2   ILE   19   9.20 +/- 1.56  12.813% *  0.5880% (0.41   0.02   0.02) =   0.136%  kept
          HB3   ASP-  78 - QG2   ILE   19  17.05 +/- 5.81   2.692% *  0.2505% (0.18   0.02   0.02) =   0.012%
    Distance limit 3.93 A violated in 4 structures by 0.52 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 173.6:
      O   HA    ILE   19 - QG2   ILE   19   2.35 +/- 0.30  96.388% * 99.7522% (0.92  10.0   5.74 173.62) =  99.996%  kept
          HA    GLU-  25 - QG2   ILE   19   9.11 +/- 1.77   2.976% *  0.1081% (1.00   1.0   0.02   0.02) =   0.003%
          HA    SER   82 - QG2   ILE   19  20.31 +/- 7.27   0.390% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  19.00 +/- 3.53   0.246% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.65, residual support = 25.6:
          HN    ALA   20 - QG2   ILE   19   3.06 +/- 0.74  97.941% * 97.8923% (0.31   3.65  25.63) =  99.975%  kept
          HN    PHE   45 - QG2   ILE   19  14.78 +/- 3.90   1.556% *  1.2618% (0.73   0.02   0.02) =   0.020%
          HN    ALA  110 - QG2   ILE   19  20.06 +/- 2.32   0.504% *  0.8458% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.34 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.75, residual support = 173.3:
          HN    ILE   19 - QG2   ILE   19   3.31 +/- 0.48  72.650% * 98.8282% (0.65   5.76 173.62) =  99.808%  kept
          HN    LEU   73 - QG2   ILE   19   8.22 +/- 4.80  20.235% *  0.5121% (0.97   0.02   4.66) =   0.144%  kept
          HN    VAL   42 - QG2   ILE   19  10.84 +/- 3.94   6.543% *  0.5121% (0.97   0.02   0.02) =   0.047%
          HN    LYS+ 106 - QG2   ILE   19  17.55 +/- 2.16   0.572% *  0.1476% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.245, support = 0.143, residual support = 1.12:
          QD1   LEU   40 - HG    LEU   71   5.32 +/- 1.96  33.067% * 29.2445% (0.06   0.24   1.96) =  56.668%  kept
          QD2   LEU   67 - HG13  ILE   19  11.79 +/- 5.89  12.786% * 28.7454% (0.69   0.02   0.02) =  21.538%  kept
          QD1   LEU   40 - HG13  ILE   19   9.99 +/- 3.12  11.273% * 17.2041% (0.41   0.02   0.02) =  11.365%  kept
          QD2   LEU   67 - HG    LEU   71   7.71 +/- 1.36  18.449% *  4.1205% (0.10   0.02   0.02) =   4.455%  kept
          QG2   ILE  119 - HG13  ILE   19  14.59 +/- 3.63   5.145% * 11.6352% (0.28   0.02   0.02) =   3.508%  kept
          QD1   ILE  103 - HG13  ILE   19  15.42 +/- 2.80   3.529% *  6.4569% (0.15   0.02   0.02) =   1.335%  kept
          QG2   ILE  119 - HG    LEU   71  13.18 +/- 4.44   6.351% *  1.6678% (0.04   0.02   0.02) =   0.621%  kept
          QD1   ILE  103 - HG    LEU   71  12.17 +/- 3.34   9.400% *  0.9256% (0.02   0.02   0.02) =   0.510%  kept
    Distance limit 3.09 A violated in 11 structures by 1.65 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.638, support = 5.96, residual support = 170.7:
          HN    ILE   19 - HG13  ILE   19   2.63 +/- 0.82  62.905% * 88.1873% (0.65   6.04 173.62) =  98.282%  kept
          HN    VAL   42 - HG    LEU   71   7.38 +/- 2.51  15.166% *  3.1616% (0.14   1.01   1.97) =   0.849%  kept
          HN    LEU   73 - HG    LEU   71   7.97 +/- 1.24   6.115% *  6.8668% (0.14   2.20   1.65) =   0.744%  kept
          HN    LEU   73 - HG13  ILE   19   9.25 +/- 6.30   6.923% *  0.4359% (0.97   0.02   4.66) =   0.053%
          HN    ILE   19 - HG    LEU   71  11.49 +/- 6.07   3.739% *  0.7689% (0.09   0.37   0.13) =   0.051%
          HN    VAL   42 - HG13  ILE   19  11.93 +/- 5.14   2.431% *  0.4359% (0.97   0.02   0.02) =   0.019%
          HN    LYS+ 106 - HG    LEU   71  16.69 +/- 4.07   2.488% *  0.0180% (0.04   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.16 +/- 2.20   0.233% *  0.1256% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.414, support = 2.2, residual support = 13.2:
          HE22  GLN   30 - QG2   ILE   19   4.74 +/- 2.83  76.189% * 97.4346% (0.41   2.21  13.23) =  99.501%  kept
          HD22  ASN   69 - QG2   ILE   19  14.10 +/- 3.15  15.786% *  2.1408% (1.00   0.02   0.02) =   0.453%  kept
          QE    PHE   45 - QG2   ILE   19  13.41 +/- 3.80   8.025% *  0.4246% (0.20   0.02   0.02) =   0.046%
    Distance limit 4.12 A violated in 5 structures by 1.05 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.0, residual support = 13.2:
          HE21  GLN   30 - QG2   ILE   19   4.70 +/- 3.16  60.618% * 97.4217% (1.00   2.01  13.23) =  99.441%  kept
          HD1   TRP   27 - QG2   ILE   19   7.78 +/- 2.01  23.168% *  0.8414% (0.87   0.02   0.02) =   0.328%  kept
          QD    PHE   59 - QG2   ILE   19  13.16 +/- 2.61  14.888% *  0.8414% (0.87   0.02   0.02) =   0.211%  kept
          HH2   TRP   49 - QG2   ILE   19  20.94 +/- 5.26   1.325% *  0.8955% (0.92   0.02   0.02) =   0.020%
    Distance limit 4.10 A violated in 3 structures by 0.52 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.252, support = 2.03, residual support = 13.1:
          HE22  GLN   30 - QD1   ILE   19   5.12 +/- 2.44  76.103% * 93.4261% (0.25   2.04  13.23) =  99.329%  kept
          HN    CYS   50 - QD1   ILE   19  20.35 +/- 4.04   6.368% *  2.9428% (0.80   0.02   0.02) =   0.262%  kept
          HN    TRP   49 - QD1   ILE   19  20.14 +/- 4.78   6.499% *  2.3775% (0.65   0.02   0.02) =   0.216%  kept
          HN    VAL   83 - QD1   ILE   19  18.40 +/- 6.71  11.030% *  1.2536% (0.34   0.02   0.02) =   0.193%  kept
    Distance limit 4.26 A violated in 5 structures by 1.14 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  17.06 +/- 2.15 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.05 A violated in 20 structures by 13.01 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.83, residual support = 25.6:
          HA    ILE   19 - QB    ALA   20   3.87 +/- 0.06  82.191% * 98.7200% (0.92   3.83  25.63) =  99.884%  kept
          HA    GLU-  25 - QB    ALA   20   9.01 +/- 2.55  15.299% *  0.5581% (1.00   0.02   0.02) =   0.105%  kept
          HA    SER   82 - QB    ALA   20  19.58 +/- 6.57   1.342% *  0.3385% (0.61   0.02   0.02) =   0.006%
          HA    CYS   53 - QB    ALA   20  17.97 +/- 3.95   1.169% *  0.3834% (0.69   0.02   0.02) =   0.006%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.823, support = 0.02, residual support = 2.66:
          QE    LYS+  74 - QB    ALA   20   8.82 +/- 5.42  41.147% * 25.4326% (0.90   0.02   5.35) =  49.416%  kept
          HB2   PHE   72 - QB    ALA   20  10.11 +/- 3.98  28.963% * 16.0552% (0.57   0.02   0.02) =  21.958%  kept
          HB3   ASN   69 - QB    ALA   20  15.71 +/- 2.22  12.976% * 27.3678% (0.97   0.02   0.02) =  16.770%  kept
          QB    CYS   50 - QB    ALA   20  16.36 +/- 3.92   7.876% * 26.1780% (0.92   0.02   0.02) =   9.737%  kept
          HB3   ASP-  78 - QB    ALA   20  15.21 +/- 5.70   9.037% *  4.9664% (0.18   0.02   0.02) =   2.119%  kept
    Distance limit 3.71 A violated in 14 structures by 3.75 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 = 0.81, support = 2.24, residual support = 5.19:
          HD2   HIS   22 - QB    ALA   20   3.38 +/- 0.65  55.480% * 63.0541% (0.92   2.26   6.09) =  71.622%  kept
          HN    THR   23 - QB    ALA   20   4.38 +/- 1.52  39.434% * 35.0972% (0.53   2.20   2.94) =  28.336%  kept
          HN    LEU   67 - QB    ALA   20  13.35 +/- 3.82   1.712% *  0.5427% (0.90   0.02   0.02) =   0.019%
          QE    PHE   95 - QB    ALA   20  13.46 +/- 2.90   1.555% *  0.2945% (0.49   0.02   0.02) =   0.009%
          HD1   TRP   49 - QB    ALA   20  19.13 +/- 5.57   0.703% *  0.5998% (0.99   0.02   0.02) =   0.009%
          HD21  ASN   35 - QB    ALA   20  15.49 +/- 1.92   0.680% *  0.3184% (0.53   0.02   0.02) =   0.004%
          QD    PHE   55 - QB    ALA   20  18.06 +/- 3.17   0.436% *  0.0934% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 17.3:
          HN    CYS   21 - QB    ALA   20   3.44 +/- 0.30  92.548% * 99.1414% (0.95   3.95  17.27) =  99.979%  kept
          HN    LYS+  33 - QB    ALA   20  11.40 +/- 1.49   3.362% *  0.3222% (0.61   0.02   0.02) =   0.012%
          HN    ILE  119 - QB    ALA   20  16.30 +/- 4.05   2.089% *  0.2795% (0.53   0.02   0.02) =   0.006%
          HN    SER   37 - QB    ALA   20  14.93 +/- 1.90   1.396% *  0.0930% (0.18   0.02   0.02) =   0.001%
          HN    ILE   89 - QB    ALA   20  20.25 +/- 3.83   0.604% *  0.1639% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.19 +/- 0.15  99.283% * 99.6086% (0.31  10.0   3.73  15.21) =  99.998%  kept
          HN    PHE   45 - QB    ALA   20  14.37 +/- 3.53   0.510% *  0.2343% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA  110 - QB    ALA   20  19.51 +/- 2.87   0.207% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.64, support = 0.02, residual support = 0.02:
          HG    LEU  123 - HB2   CYS   21  20.47 +/- 7.99  11.916% * 13.7167% (0.98   0.02   0.02) =  23.244%  kept
          HB    VAL   41 - HB2   CYS   21  14.02 +/- 3.29  12.051% *  9.0526% (0.65   0.02   0.02) =  15.514%  kept
          QB    LYS+  33 - HB2   CYS   21  11.91 +/- 3.07  16.500% *  4.7734% (0.34   0.02   0.02) =  11.200%  kept
          HG12  ILE  103 - HB2   CYS   21  17.71 +/- 2.89   5.063% * 11.2053% (0.80   0.02   0.02) =   8.067%  kept
          HB3   PRO   52 - HB2   CYS   21  23.15 +/- 5.43   3.686% * 13.7167% (0.98   0.02   0.02) =   7.190%  kept
          QB    LYS+  81 - HB2   CYS   21  16.85 +/- 8.07  11.445% *  3.1155% (0.22   0.02   0.02) =   5.070%  kept
          QB    LYS+  66 - HB2   CYS   21  16.53 +/- 3.77   5.519% *  6.2738% (0.45   0.02   0.02) =   4.924%  kept
          HB    ILE  103 - HB2   CYS   21  18.78 +/- 3.23   4.577% *  7.3624% (0.53   0.02   0.02) =   4.792%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.47 +/- 3.82   5.355% *  6.2738% (0.45   0.02   0.02) =   4.778%  kept
          HG3   PRO   68 - HB2   CYS   21  19.03 +/- 3.27   4.214% *  7.9226% (0.57   0.02   0.02) =   4.747%  kept
          HG2   PRO   93 - HB2   CYS   21  18.49 +/- 4.67   7.520% *  3.1155% (0.22   0.02   0.02) =   3.332%  kept
          HG2   ARG+  54 - HB2   CYS   21  22.80 +/- 4.61   2.946% *  6.8115% (0.49   0.02   0.02) =   2.853%  kept
          HB3   GLN   90 - HB2   CYS   21  22.30 +/- 6.27   4.149% *  3.8908% (0.28   0.02   0.02) =   2.296%  kept
          QB    LYS+ 106 - HB2   CYS   21  17.19 +/- 2.42   5.059% *  2.7693% (0.20   0.02   0.02) =   1.992%  kept
    Distance limit 3.80 A violated in 18 structures by 4.45 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.824, support = 1.34, residual support = 5.29:
          QD1   LEU   73 - HB2   CYS   21   6.69 +/- 5.30  30.566% * 39.2099% (0.80   1.50   7.77) =  63.491%  kept
          QD2   LEU   63 - HB2   CYS   21  12.36 +/- 4.24  12.743% * 32.6637% (0.92   1.08   1.00) =  22.049%  kept
          QD1   LEU   63 - HB2   CYS   21  12.36 +/- 4.17   9.808% * 26.8841% (0.80   1.03   1.00) =  13.969%  kept
          QD2   LEU   80 - HB2   CYS   21  12.41 +/- 8.41  10.709% *  0.2684% (0.41   0.02   0.02) =   0.152%  kept
          QD1   LEU  104 - HB2   CYS   21  15.04 +/- 3.92  11.780% *  0.1454% (0.22   0.02   0.02) =   0.091%
          QD1   LEU   80 - HB2   CYS   21  13.61 +/- 8.62  11.640% *  0.1454% (0.22   0.02   0.02) =   0.090%
          QD2   LEU  115 - HB2   CYS   21  15.54 +/- 4.13   4.875% *  0.2927% (0.45   0.02   0.02) =   0.076%
          QG2   VAL   41 - HB2   CYS   21  11.38 +/- 3.56   4.200% *  0.2450% (0.38   0.02   0.02) =   0.055%
          QD2   LEU   98 - HB2   CYS   21  13.34 +/- 2.51   3.679% *  0.1454% (0.22   0.02   0.02) =   0.028%
    Distance limit 3.82 A violated in 4 structures by 1.47 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.81, residual support = 30.6:
      O T HA    CYS   21 - HB2   CYS   21   2.62 +/- 0.24  98.268% * 99.6850% (0.92  10.0 10.00   2.81  30.58) =  99.998%  kept
          HA    LYS+ 102 - HB2   CYS   21  19.64 +/- 3.64   0.928% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB2   CYS   21  22.18 +/- 5.85   0.306% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  21.37 +/- 5.51   0.294% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.23 +/- 3.49   0.204% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.816, support = 3.4, residual support = 7.56:
          HD2   HIS   22 - HB2   CYS   21   5.14 +/- 1.03  43.543% * 70.8807% (0.92   3.72   9.04) =  73.120%  kept
          HN    THR   23 - HB2   CYS   21   5.15 +/- 1.12  40.602% * 27.8565% (0.53   2.56   3.57) =  26.795%  kept
          QE    PHE   95 - HB2   CYS   21  14.83 +/- 3.72  11.544% *  0.2012% (0.49   0.02   0.02) =   0.055%
          HN    LEU   67 - HB2   CYS   21  16.35 +/- 3.84   1.457% *  0.3707% (0.90   0.02   0.02) =   0.013%
          HD1   TRP   49 - HB2   CYS   21  21.25 +/- 6.16   1.142% *  0.4097% (0.99   0.02   0.02) =   0.011%
          HD21  ASN   35 - HB2   CYS   21  17.36 +/- 2.37   0.928% *  0.2175% (0.53   0.02   0.02) =   0.005%
          QD    PHE   55 - HB2   CYS   21  20.53 +/- 4.22   0.783% *  0.0638% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.45, residual support = 30.6:
      O   HN    CYS   21 - HB2   CYS   21   2.69 +/- 0.44  94.799% * 99.8294% (0.95  10.0   3.45  30.58) =  99.997%  kept
          HN    ILE  119 - HB2   CYS   21  18.68 +/- 5.81   2.355% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  33 - HB2   CYS   21  12.70 +/- 2.87   1.749% *  0.0640% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB2   CYS   21  21.23 +/- 5.43   0.507% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  16.97 +/- 2.66   0.591% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.442, support = 0.02, residual support = 0.02:
          HG    LEU  123 - HB3   CYS   21  21.06 +/- 7.92  11.886% * 13.7167% (0.67   0.02   0.02) =  23.221%  kept
          HB    VAL   41 - HB3   CYS   21  14.36 +/- 3.24  11.115% *  9.0526% (0.44   0.02   0.02) =  14.332%  kept
          QB    LYS+  33 - HB3   CYS   21  12.25 +/- 2.99  15.921% *  4.7734% (0.23   0.02   0.02) =  10.825%  kept
          HG12  ILE  103 - HB3   CYS   21  17.94 +/- 3.23   5.402% * 11.2053% (0.55   0.02   0.02) =   8.622%  kept
          HB3   PRO   52 - HB3   CYS   21  23.16 +/- 5.68   4.257% * 13.7167% (0.67   0.02   0.02) =   8.316%  kept
          HB    ILE  103 - HB3   CYS   21  18.99 +/- 3.67   5.064% *  7.3624% (0.36   0.02   0.02) =   5.310%  kept
          QB    LYS+  81 - HB3   CYS   21  16.66 +/- 7.68  11.769% *  3.1155% (0.15   0.02   0.02) =   5.223%  kept
          HB3   ASP- 105 - HB3   CYS   21  18.74 +/- 4.49   5.528% *  6.2738% (0.31   0.02   0.02) =   4.940%  kept
          QB    LYS+  66 - HB3   CYS   21  16.97 +/- 3.60   4.728% *  6.2738% (0.31   0.02   0.02) =   4.225%  kept
          HG3   PRO   68 - HB3   CYS   21  19.55 +/- 3.15   3.546% *  7.9226% (0.39   0.02   0.02) =   4.001%  kept
          HG2   PRO   93 - HB3   CYS   21  18.51 +/- 5.11   8.526% *  3.1155% (0.15   0.02   0.02) =   3.784%  kept
          HG2   ARG+  54 - HB3   CYS   21  22.91 +/- 5.01   2.995% *  6.8115% (0.33   0.02   0.02) =   2.905%  kept
          HB3   GLN   90 - HB3   CYS   21  22.25 +/- 5.97   4.017% *  3.8908% (0.19   0.02   0.02) =   2.226%  kept
          QB    LYS+ 106 - HB3   CYS   21  17.32 +/- 2.85   5.246% *  2.7693% (0.14   0.02   0.02) =   2.069%  kept
    Distance limit 3.90 A violated in 17 structures by 4.38 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.609, support = 1.91, residual support = 3.38:
          QG2   THR   26 - HB3   CYS   21   5.48 +/- 2.48  40.026% * 76.6867% (0.60   2.20   2.28) =  83.344%  kept
          HB2   LYS+  74 - HB3   CYS   21   9.67 +/- 6.11  28.942% * 20.8038% (0.69   0.52   9.01) =  16.348%  kept
          QB    ALA  120 - HB3   CYS   21  18.20 +/- 5.95  13.502% *  0.2747% (0.23   0.02   0.02) =   0.101%  kept
          HG2   LYS+  65 - HB3   CYS   21  16.99 +/- 4.71   3.812% *  0.6448% (0.55   0.02   0.02) =   0.067%
          HD2   LYS+ 121 - HB3   CYS   21  19.85 +/- 5.72   3.026% *  0.5847% (0.50   0.02   0.02) =   0.048%
          HG    LEU  115 - HB3   CYS   21  18.96 +/- 5.36   6.283% *  0.2747% (0.23   0.02   0.02) =   0.047%
          HB3   LEU   40 - HB3   CYS   21  15.08 +/- 2.29   2.534% *  0.4559% (0.39   0.02   0.02) =   0.031%
          QD    LYS+  66 - HB3   CYS   21  18.33 +/- 3.71   1.875% *  0.2747% (0.23   0.02   0.02) =   0.014%
    Distance limit 4.19 A violated in 5 structures by 0.76 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.565, support = 1.59, residual support = 5.54:
          QD1   LEU   73 - HB3   CYS   21   6.90 +/- 4.88  28.349% * 44.0377% (0.55   1.85   7.77) =  67.099%  kept
          QD2   LEU   63 - HB3   CYS   21  12.79 +/- 4.34  12.478% * 30.2485% (0.63   1.10   1.00) =  20.286%  kept
          QD1   LEU   63 - HB3   CYS   21  12.77 +/- 4.19   9.175% * 24.5818% (0.55   1.03   1.00) =  12.122%  kept
          QD2   LEU   80 - HB3   CYS   21  12.42 +/- 8.05  11.612% *  0.2446% (0.28   0.02   0.02) =   0.153%  kept
          QD2   LEU  115 - HB3   CYS   21  15.70 +/- 4.65   6.147% *  0.2667% (0.31   0.02   0.02) =   0.088%
          QD1   LEU   80 - HB3   CYS   21  13.57 +/- 8.29  12.161% *  0.1325% (0.15   0.02   0.02) =   0.087%
          QD1   LEU  104 - HB3   CYS   21  15.31 +/- 4.26  11.518% *  0.1325% (0.15   0.02   0.02) =   0.082%
          QG2   VAL   41 - HB3   CYS   21  11.67 +/- 3.38   4.668% *  0.2233% (0.26   0.02   0.02) =   0.056%
          QD2   LEU   98 - HB3   CYS   21  13.47 +/- 2.58   3.893% *  0.1325% (0.15   0.02   0.02) =   0.028%
    Distance limit 3.99 A violated in 5 structures by 1.53 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.45, residual support = 30.6:
      O   HN    CYS   21 - HB3   CYS   21   3.30 +/- 0.45  90.552% * 99.8294% (0.65  10.0   3.45  30.58) =  99.994%  kept
          HN    ILE  119 - HB3   CYS   21  19.01 +/- 6.17   5.597% *  0.0555% (0.36   1.0   0.02   0.02) =   0.003%
          HN    LYS+  33 - HB3   CYS   21  13.06 +/- 2.82   2.444% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    SER   37 - HB3   CYS   21  17.40 +/- 2.71   0.899% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  21.19 +/- 5.15   0.508% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.523, support = 0.671, residual support = 1.32:
          HN    TRP   27 - HB3   CYS   21   6.42 +/- 2.75  48.806% * 87.5994% (0.52   0.68   1.34) =  98.144%  kept
          HN    ALA   61 - HB3   CYS   21  16.27 +/- 5.03  17.319% *  1.1438% (0.23   0.02   0.02) =   0.455%  kept
          HD1   TRP   87 - HB3   CYS   21  19.42 +/- 5.78   6.308% *  3.0954% (0.63   0.02   0.02) =   0.448%  kept
          HN    LYS+ 102 - HB3   CYS   21  19.52 +/- 4.56  12.471% *  1.2585% (0.26   0.02   0.02) =   0.360%  kept
          HN    THR   39 - HB3   CYS   21  16.67 +/- 2.43   3.663% *  3.1720% (0.65   0.02   0.02) =   0.267%  kept
          HN    GLU-  36 - HB3   CYS   21  17.11 +/- 2.72   3.482% *  1.8985% (0.39   0.02   0.02) =   0.152%  kept
          HN    ALA   91 - HB3   CYS   21  20.37 +/- 5.62   4.310% *  1.3786% (0.28   0.02   0.02) =   0.136%  kept
          HE3   TRP   87 - HB3   CYS   21  21.83 +/- 5.05   3.642% *  0.4538% (0.09   0.02   0.02) =   0.038%
    Distance limit 4.17 A violated in 11 structures by 2.19 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.567, support = 3.62, residual support = 7.69:
          HD2   HIS   22 - HB3   CYS   21   4.89 +/- 1.12  42.007% * 74.3322% (0.63   4.05   9.04) =  75.433%  kept
          HN    THR   23 - HB3   CYS   21   4.77 +/- 1.14  41.447% * 24.4520% (0.36   2.34   3.57) =  24.483%  kept
          QE    PHE   95 - HB3   CYS   21  14.91 +/- 4.06  13.423% *  0.1937% (0.33   0.02   0.02) =   0.063%
          HN    LEU   67 - HB3   CYS   21  16.82 +/- 3.56   1.070% *  0.3569% (0.62   0.02   0.02) =   0.009%
          HD1   TRP   49 - HB3   CYS   21  21.16 +/- 6.09   0.806% *  0.3944% (0.68   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB3   CYS   21  17.76 +/- 2.45   0.661% *  0.2094% (0.36   0.02   0.02) =   0.003%
          QD    PHE   55 - HB3   CYS   21  20.63 +/- 4.62   0.586% *  0.0614% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.83, residual support = 30.6:
      O T HA    CYS   21 - HB3   CYS   21   2.66 +/- 0.24  97.483% * 99.6850% (0.63  10.0 10.00   2.83  30.58) =  99.998%  kept
          HA    LYS+ 102 - HB3   CYS   21  19.81 +/- 4.13   1.406% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - HB3   CYS   21  22.14 +/- 5.87   0.473% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  21.37 +/- 5.48   0.361% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  23.28 +/- 4.01   0.277% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.709, support = 2.95, residual support = 33.9:
      O   HD2   HIS   22 - HB2   HIS   22   3.80 +/- 0.36  53.758% * 87.3109% (0.74  10.0   2.73  35.21) =  90.359%  kept
          HN    THR   23 - HB2   HIS   22   4.25 +/- 0.33  40.358% * 12.4001% (0.42   1.0   4.98  21.43) =   9.634%  kept
          QE    PHE   95 - HB2   HIS   22  17.43 +/- 3.81   3.580% *  0.0460% (0.39   1.0   0.02   0.02) =   0.003%
          HD1   TRP   49 - HB2   HIS   22  22.22 +/- 6.59   0.962% *  0.0937% (0.79   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB2   HIS   22  19.47 +/- 3.74   0.611% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.42 +/- 1.24   0.318% *  0.0498% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  22.34 +/- 4.92   0.412% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.927, support = 3.33, residual support = 34.9:
      O   HD2   HIS   22 - HB3   HIS   22   3.12 +/- 0.40  61.062% * 94.8524% (0.95  10.0   3.28  35.21) =  97.593%  kept
          HN    THR   23 - HB3   HIS   22   4.17 +/- 0.28  29.066% *  4.9070% (0.18   1.0   5.59  21.43) =   2.403%  kept
          QE    PHE   95 - HB3   HIS   22  17.44 +/- 4.14   8.519% *  0.0155% (0.15   1.0   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB3   HIS   22  22.52 +/- 6.52   0.599% *  0.0838% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   HIS   22  19.31 +/- 3.73   0.539% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.83 +/- 1.39   0.216% *  0.0926% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.39, residual support = 21.4:
          QG2   THR   23 - HB3   HIS   22   3.87 +/- 0.58  92.102% * 96.0681% (0.34   3.40  21.43) =  99.916%  kept
          QG2   THR   77 - HB3   HIS   22  14.73 +/- 2.97   2.723% *  1.6439% (0.99   0.02   0.02) =   0.051%
          HG2   LYS+  99 - HB3   HIS   22  22.33 +/- 5.29   3.881% *  0.4611% (0.28   0.02   0.02) =   0.020%
          QB    ALA   88 - HB3   HIS   22  21.86 +/- 3.43   0.682% *  1.2044% (0.73   0.02   0.02) =   0.009%
          HG2   LYS+  38 - HB3   HIS   22  22.79 +/- 2.37   0.612% *  0.6225% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.02 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.425, support = 2.97, residual support = 10.5:
          HN    ALA   47 - HB    THR   46   3.41 +/- 0.67  80.549% * 71.4699% (0.38   3.20  11.51) =  91.208%  kept
          QD    PHE   95 - HB    THR   46   7.58 +/- 2.08  19.451% * 28.5301% (0.95   0.51   0.02) =   8.792%  kept
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 34.2:
      O   HN    THR   46 - HB    THR   46   3.51 +/- 0.24  71.941% * 99.6646% (0.87  10.0   3.23  34.23) =  99.969%  kept
          HN    MET   92 - HB    THR   46   7.56 +/- 1.95  18.540% *  0.0789% (0.69   1.0   0.02   0.02) =   0.020%
          HN    LYS+  74 - HB    THR   46  11.32 +/- 3.14   3.502% *  0.1126% (0.98   1.0   0.02   0.23) =   0.005%
          HN    LYS+ 112 - HB    THR   46  12.53 +/- 3.05   5.692% *  0.0604% (0.53   1.0   0.02   0.02) =   0.005%
          HN    MET   11 - HB    THR   46  29.84 +/- 6.83   0.325% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.399, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  17.95 +/- 4.85  16.722% * 28.3087% (0.14 10.00   0.02   0.02) =  37.614%  kept
          QG2   THR   77 - HB2   HIS   22  14.58 +/- 3.03  21.245% * 12.9434% (0.64  1.00   0.02   0.02) =  21.850%  kept
          HG2   LYS+  99 - HB2   HIS   22  22.74 +/- 5.40  12.643% * 11.7377% (0.58  1.00   0.02   0.02) =  11.792%  kept
          QB    ALA   88 - HB2   HIS   22  21.78 +/- 3.33   6.069% * 16.1643% (0.80  1.00   0.02   0.02) =   7.795%  kept
          HB2   LEU   31 - HB2   HIS   22  15.83 +/- 1.06  13.774% *  6.0667% (0.30  1.00   0.02   0.02) =   6.640%  kept
          HB3   LEU   80 - HB2   HIS   22  18.35 +/- 7.36  18.200% *  4.0306% (0.20  1.00   0.02   0.02) =   5.829%  kept
          HG2   LYS+ 111 - HB2   HIS   22  26.37 +/- 5.92   7.430% *  7.2470% (0.36  1.00   0.02   0.02) =   4.279%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.36 +/- 2.36   3.916% * 13.5016% (0.67  1.00   0.02   0.02) =   4.201%  kept
    Distance limit 4.07 A violated in 20 structures by 6.31 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.51, residual support = 17.3:
      O   HN    CYS   21 - HA    ALA   20   2.25 +/- 0.04  98.635% * 99.8294% (0.95  10.0   3.51  17.27) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  13.18 +/- 0.92   0.517% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  18.46 +/- 4.57   0.483% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.25 +/- 1.74   0.240% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  23.12 +/- 5.22   0.125% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20  13.47 +/- 7.64 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.30 A violated in 20 structures by 10.17 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.659, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22  12.40 +/- 7.59  40.276% * 18.5628% (0.57   0.02   0.02) =  37.513%  kept
          QG    GLN   32 - HA    HIS   22  15.98 +/- 1.18  17.081% * 27.4474% (0.85   0.02   0.02) =  23.524%  kept
          HB    VAL  107 - HA    HIS   22  20.35 +/- 4.19  14.923% * 26.5475% (0.82   0.02   0.02) =  19.878%  kept
          QE    LYS+ 112 - HA    HIS   22  20.54 +/- 6.18  17.716% * 13.7211% (0.42   0.02   0.02) =  12.197%  kept
          HB3   PHE   45 - HA    HIS   22  17.68 +/- 3.83  10.004% * 13.7211% (0.42   0.02   0.02) =   6.888%  kept
    Distance limit 3.41 A violated in 16 structures by 5.47 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.445, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22  10.31 +/- 4.74  24.693% * 28.4146% (0.26 10.00   0.02   0.02) =  59.877%  kept
          QD    LYS+ 102 - HA    HIS   22  22.21 +/- 5.70  10.139% *  9.8627% (0.91  1.00   0.02   0.02) =   8.533%  kept
          QD    LYS+  65 - HA    HIS   22  16.34 +/- 4.70  10.049% *  7.4210% (0.69  1.00   0.02   0.02) =   6.364%  kept
          HB    VAL   83 - HA    HIS   22  17.92 +/- 6.46   8.448% *  8.1833% (0.76  1.00   0.02   0.02) =   5.900%  kept
          HB2   LEU  123 - HA    HIS   22  23.54 +/- 7.24   8.087% *  8.1833% (0.76  1.00   0.02   0.02) =   5.648%  kept
          HB2   LYS+ 121 - HA    HIS   22  21.31 +/- 6.13   7.015% *  7.0200% (0.65  1.00   0.02   0.02) =   4.202%  kept
          HD2   LYS+  74 - HA    HIS   22  11.70 +/- 5.31  17.588% *  1.7898% (0.17  1.00   0.02   0.02) =   2.686%  kept
          HG3   PRO   93 - HA    HIS   22  19.43 +/- 4.29   3.579% *  8.5362% (0.79  1.00   0.02   0.02) =   2.607%  kept
          QD    LYS+  38 - HA    HIS   22  20.62 +/- 2.96   2.446% *  9.4340% (0.87  1.00   0.02   0.02) =   1.969%  kept
          HD2   LYS+ 111 - HA    HIS   22  26.66 +/- 5.92   2.131% *  5.3768% (0.50  1.00   0.02   0.02) =   0.978%  kept
          HB3   MET   92 - HA    HIS   22  20.70 +/- 3.59   2.018% *  4.2014% (0.39  1.00   0.02   0.02) =   0.724%  kept
          QD    LYS+ 106 - HA    HIS   22  19.69 +/- 3.88   3.807% *  1.5768% (0.15  1.00   0.02   0.02) =   0.512%  kept
    Distance limit 3.57 A violated in 19 structures by 3.53 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.368, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.69 +/- 0.51  81.019% * 67.5049% (0.39   0.02   0.02) =  89.866%  kept
          HN    LEU   40 - HA    HIS   22  18.57 +/- 2.22  18.981% * 32.4951% (0.19   0.02   0.02) =  10.134%  kept
    Distance limit 3.71 A violated in 20 structures by 6.88 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.38, residual support = 25.7:
      O   HN    VAL   24 - HA    THR   23   2.29 +/- 0.21 100.000% *100.0000% (0.64  10.0   5.38  25.75) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.26, residual support = 25.7:
          HN    VAL   24 - HB    THR   23   3.80 +/- 0.59 100.000% *100.0000% (0.49   5.26  25.75) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.73, support = 4.61, residual support = 19.5:
          HN    THR   23 - QG2   THR   23   2.96 +/- 0.51  44.152% * 63.1265% (0.73   4.86  19.30) =  88.972%  kept
          HD2   HIS   22 - QG2   THR   23   4.94 +/- 0.85   9.793% * 35.0771% (0.76   2.57  21.43) =  10.966%  kept
          HD1   TRP   49 - QB    ALA   91   8.50 +/- 4.58  17.949% *  0.0337% (0.09   0.02   0.02) =   0.019%
          HD21  ASN   35 - QG2   THR   39   8.94 +/- 2.14  11.052% *  0.0271% (0.08   0.02   0.02) =   0.010%
          HD1   TRP   49 - QG2   THR   23  20.27 +/- 5.34   0.655% *  0.3206% (0.90   0.02   0.02) =   0.007%
          HE3   TRP   27 - QG2   THR   23   8.80 +/- 0.84   1.864% *  0.0796% (0.22   0.02   1.19) =   0.005%
          HN    LEU   67 - QG2   THR   23  17.34 +/- 3.18   0.398% *  0.3543% (0.99   0.02   0.02) =   0.005%
          QE    PHE   95 - QG2   THR   23  15.96 +/- 2.76   0.456% *  0.2456% (0.69   0.02   0.02) =   0.004%
          HN    LEU   67 - QG2   THR   39  11.74 +/- 1.68   0.953% *  0.0789% (0.22   0.02   0.02) =   0.002%
          HN    THR   23 - QB    ALA   91  17.62 +/- 5.10   1.809% *  0.0273% (0.08   0.02   0.02) =   0.002%
          QE    PHE   95 - QB    ALA   91   9.45 +/- 1.01   1.485% *  0.0258% (0.07   0.02   0.02) =   0.001%
          HD21  ASN   35 - QG2   THR   23  16.21 +/- 1.21   0.306% *  0.1219% (0.34   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   39   9.95 +/- 1.99   1.887% *  0.0177% (0.05   0.02   0.02) =   0.001%
          QE    PHE   95 - QG2   THR   39  14.16 +/- 1.43   0.494% *  0.0547% (0.15   0.02   0.02) =   0.001%
          HD2   HIS   22 - QG2   THR   39  15.70 +/- 3.19   0.444% *  0.0608% (0.17   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  15.28 +/- 2.42   0.437% *  0.0578% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  20.18 +/- 3.60   0.229% *  0.0994% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    ALA   91  11.07 +/- 2.40   2.076% *  0.0104% (0.03   0.02   0.02) =   0.001%
          HE3   TRP   27 - QB    ALA   91  16.96 +/- 4.46   2.191% *  0.0084% (0.02   0.02   0.02) =   0.001%
          HD2   HIS   22 - QB    ALA   91  18.39 +/- 4.32   0.560% *  0.0287% (0.08   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.47 +/- 2.58   0.319% *  0.0373% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  21.72 +/- 3.55   0.160% *  0.0714% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.26 +/- 1.57   0.155% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  25.01 +/- 3.94   0.174% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.63 +/- 0.74  94.544% * 91.4899% (0.34   1.83  10.79) =  99.835%  kept
          HG3   MET   96 - HA    VAL   83  14.90 +/- 5.07   3.772% *  2.9244% (1.00   0.02   0.02) =   0.127%  kept
          HB3   ASP-  62 - HA    VAL   83  23.34 +/- 4.17   1.196% *  2.2349% (0.76   0.02   0.02) =   0.031%
          HG2   GLU-  36 - HA    VAL   83  29.43 +/- 5.81   0.124% *  2.6996% (0.92   0.02   0.02) =   0.004%
          HG2   GLU-  29 - HA    VAL   83  25.24 +/- 8.84   0.364% *  0.6511% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.45 +/- 0.63  92.372% * 99.6258% (0.98 10.00   2.25  10.79) =  99.995%  kept
          QE    LYS+  65 - HA    VAL   83  21.03 +/- 5.44   1.915% *  0.0996% (0.98  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    VAL   83  10.96 +/- 1.71   3.946% *  0.0283% (0.28  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    VAL   83  21.90 +/- 9.16   1.220% *  0.0912% (0.90  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    VAL   83  24.50 +/- 5.94   0.309% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  27.12 +/- 6.35   0.239% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.69, residual support = 84.8:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.03  98.832% * 99.7575% (0.57  10.0   4.69  84.83) =  99.999%  kept
          HN    CYS   50 - HA    VAL   83  17.66 +/- 2.91   0.559% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  16.58 +/- 2.23   0.609% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   2.97 +/- 0.24  97.016% * 97.0740% (0.95   2.25  10.79) =  99.981%  kept
          HN    GLN   30 - HA    VAL   83  22.07 +/- 7.70   0.791% *  0.8941% (0.98   0.02   0.02) =   0.008%
          HN    GLU-  29 - HA    VAL   83  22.50 +/- 8.40   0.866% *  0.5164% (0.57   0.02   0.02) =   0.005%
          HN    LYS+  99 - HA    VAL   83  21.48 +/- 5.39   0.581% *  0.4090% (0.45   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    VAL   83  28.52 +/- 7.78   0.347% *  0.6266% (0.69   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    VAL   83  23.51 +/- 5.65   0.398% *  0.4799% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.25, residual support = 17.1:
          HD1   TRP   87 - HA    VAL   83   3.64 +/- 0.36  82.586% * 87.5279% (0.73   4.30  17.07) =  98.632%  kept
          HE3   TRP   87 - HA    VAL   83   7.96 +/- 0.59   9.227% * 10.5290% (0.28   1.35  17.07) =   1.326%  kept
          HN    ALA   91 - HA    VAL   83  10.76 +/- 1.39   3.714% *  0.3631% (0.65   0.02   0.02) =   0.018%
          HN    TRP   27 - HA    VAL   83  20.31 +/- 8.07   2.249% *  0.5309% (0.95   0.02   0.02) =   0.016%
          HN    ALA   61 - HA    VAL   83  19.92 +/- 3.72   0.794% *  0.3177% (0.57   0.02   0.02) =   0.003%
          HN    THR   39 - HA    VAL   83  24.60 +/- 4.21   0.362% *  0.4289% (0.76   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    VAL   83  23.09 +/- 6.13   0.723% *  0.1111% (0.20   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    VAL   83  26.92 +/- 5.66   0.344% *  0.1914% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 1.5, residual support = 2.53:
          QD1   LEU   73 - HA    VAL   24   6.71 +/- 4.64  29.499% * 51.6488% (0.80   1.62   2.33) =  62.435%  kept
          QD2   LEU   80 - HA    VAL   24  11.82 +/- 8.59  24.572% * 26.8093% (0.41   1.63   3.77) =  26.996%  kept
          QD1   LEU   63 - HA    VAL   24  13.37 +/- 4.50  13.245% * 16.1887% (0.80   0.51   0.02) =   8.787%  kept
          QD1   LEU   80 - HA    VAL   24  13.27 +/- 8.65  10.116% *  3.6027% (0.22   0.41   3.77) =   1.494%  kept
          QD2   LEU   63 - HA    VAL   24  13.72 +/- 4.17   4.930% *  0.7372% (0.92   0.02   0.02) =   0.149%  kept
          QD1   LEU  104 - HA    VAL   24  14.59 +/- 5.29  14.076% *  0.1778% (0.22   0.02   0.02) =   0.103%  kept
          QG2   VAL   41 - HA    VAL   24  11.88 +/- 3.30   1.502% *  0.2997% (0.38   0.02   0.02) =   0.018%
          QD2   LEU   98 - HA    VAL   24  13.06 +/- 3.43   1.518% *  0.1778% (0.22   0.02   0.02) =   0.011%
          QD2   LEU  115 - HA    VAL   24  17.09 +/- 3.67   0.542% *  0.3580% (0.45   0.02   0.02) =   0.008%
    Distance limit 3.15 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
      O T HB    VAL   24 - HA    VAL   24   2.49 +/- 0.31  96.976% * 98.9275% (1.00  10.0 10.00   3.97  64.99) =  99.993%  kept
        T HB2   PRO   68 - HA    VAL   24  20.02 +/- 4.72   0.489% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLN   32 - HA    VAL   24  10.32 +/- 0.60   1.643% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  18.69 +/- 3.59   0.462% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  22.22 +/- 4.25   0.282% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  24.80 +/- 4.55   0.148% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 23.2:
        T HB3   TRP   27 - HA    VAL   24   3.66 +/- 0.40  82.927% * 99.7179% (1.00 10.00   3.00  23.22) =  99.985%  kept
          HB2   PHE   97 - HA    VAL   24  16.91 +/- 4.30   8.917% *  0.0991% (0.99  1.00   0.02   0.02) =   0.011%
          QE    LYS+  99 - HA    VAL   24  15.62 +/- 3.55   3.473% *  0.0486% (0.49  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HA    VAL   24  17.50 +/- 4.28   1.553% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    VAL   24  17.27 +/- 3.57   1.526% *  0.0448% (0.45  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  16.54 +/- 3.53   1.603% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.0:
      O   HN    VAL   24 - HA    VAL   24   2.74 +/- 0.06 100.000% *100.0000% (0.97  10.0   4.34  64.99) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.871, support = 5.76, residual support = 31.6:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.03  54.025% * 84.3056% (0.92  10.0   5.64  34.14) =  86.880%  kept
          HN    ASN   28 - HA    VAL   24   3.89 +/- 0.36  44.057% * 15.6080% (0.53   1.0   6.50  14.53) =  13.117%  kept
          HN    ASP-  44 - HA    VAL   24  13.52 +/- 4.11   1.918% *  0.0864% (0.95   1.0   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.03, residual support = 23.2:
          HN    TRP   27 - HA    VAL   24   3.00 +/- 0.17  94.842% * 94.6626% (0.45   3.04  23.22) =  99.949%  kept
          HD1   TRP   87 - HA    VAL   24  19.06 +/- 6.61   1.219% *  1.3790% (0.99   0.02   0.02) =   0.019%
          HN    LYS+ 102 - HA    VAL   24  18.93 +/- 4.49   0.947% *  0.9557% (0.69   0.02   0.02) =   0.010%
          HN    THR   39 - HA    VAL   24  16.27 +/- 1.28   0.647% *  1.3638% (0.98   0.02   0.02) =   0.010%
          HN    GLU-  36 - HA    VAL   24  16.12 +/- 0.48   0.626% *  1.2069% (0.87   0.02   0.02) =   0.008%
          HN    ALA   91 - HA    VAL   24  20.91 +/- 6.15   1.026% *  0.2437% (0.18   0.02   0.02) =   0.003%
          HN    ALA   61 - HA    VAL   24  18.08 +/- 3.51   0.693% *  0.1883% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.24, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  86.348% * 98.9402% (0.98  10.0 10.00   3.24  64.99) =  99.993%  kept
        T QG1   VAL   24 - HB2   PRO   68  18.63 +/- 4.49   0.479% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   20 - HB    VAL   24   8.19 +/- 2.53   9.949% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB    VAL   24  11.35 +/- 1.07   0.623% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.11 +/- 3.83   0.390% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  13.65 +/- 3.80   0.580% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.69 +/- 5.75   0.174% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  20.71 +/- 5.33   0.318% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  16.55 +/- 4.44   0.449% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.08 +/- 2.41   0.302% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  20.89 +/- 2.38   0.104% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.67 +/- 2.97   0.283% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.21, residual support = 65.0:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  93.490% * 99.6470% (1.00  10.0   3.21  64.99) =  99.995%  kept
          HG    LEU   63 - HB    VAL   24  17.61 +/- 5.67   3.289% *  0.0979% (0.98   1.0   0.02   0.02) =   0.003%
          HG    LEU   63 - HB2   PRO   68  10.38 +/- 1.68   1.198% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   PRO   68  17.73 +/- 4.73   1.012% *  0.0589% (0.59   1.0   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB    VAL   24  17.11 +/- 3.83   0.434% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  23.81 +/- 4.97   0.128% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  20.08 +/- 2.06   0.123% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.08 +/- 2.41   0.327% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.661, support = 1.58, residual support = 3.19:
          QD2   LEU   80 - HB    VAL   24  11.78 +/- 8.26  23.054% * 60.2344% (0.80   1.58   3.77) =  63.059%  kept
          QD1   LEU   73 - HB    VAL   24   7.94 +/- 4.16  23.332% * 32.8501% (0.41   1.67   2.33) =  34.806%  kept
          QD1   LEU   63 - HB    VAL   24  14.43 +/- 4.72  12.163% *  1.6729% (0.41   0.09   0.02) =   0.924%  kept
          QD1   LEU  104 - HB    VAL   24  15.82 +/- 5.23  11.526% *  0.9217% (0.97   0.02   0.02) =   0.482%  kept
          QG1   VAL   83 - HB    VAL   24  13.56 +/- 7.14   8.270% *  0.8284% (0.87   0.02   0.02) =   0.311%  kept
          QD1   LEU  104 - HB2   PRO   68  14.30 +/- 3.44   6.640% *  0.5452% (0.57   0.02   0.02) =   0.164%  kept
          QD2   LEU  115 - HB    VAL   24  17.82 +/- 4.18   3.135% *  0.7298% (0.76   0.02   0.02) =   0.104%  kept
          QD1   LEU   63 - HB2   PRO   68   9.30 +/- 1.55   4.233% *  0.2322% (0.24   0.02   0.02) =   0.045%
          QD2   LEU  115 - HB2   PRO   68  13.82 +/- 2.20   1.480% *  0.4317% (0.45   0.02   0.02) =   0.029%
          QD1   LEU   73 - HB2   PRO   68  13.61 +/- 1.87   1.778% *  0.2322% (0.24   0.02   0.02) =   0.019%
          QG1   VAL   83 - HB2   PRO   68  19.78 +/- 3.65   0.834% *  0.4900% (0.51   0.02   0.02) =   0.019%
          QD2   LEU   80 - HB2   PRO   68  18.91 +/- 3.54   0.807% *  0.4524% (0.47   0.02   0.02) =   0.017%
          QG2   ILE   89 - HB    VAL   24  16.05 +/- 4.98   1.061% *  0.2381% (0.25   0.02   0.02) =   0.011%
          QG2   ILE   89 - HB2   PRO   68  20.51 +/- 3.76   1.687% *  0.1409% (0.15   0.02   0.02) =   0.011%
    Distance limit 3.97 A violated in 1 structures by 0.32 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.872, support = 4.01, residual support = 64.1:
      O T HA    VAL   24 - HB    VAL   24   2.49 +/- 0.31  76.566% * 89.0301% (0.90  10.0 10.00   3.97  64.99) =  96.886%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.94 +/- 0.15  21.277% * 10.2842% (0.10  10.0  1.00   5.47  36.16) =   3.110%  kept
        T HA    VAL   24 - HB2   PRO   68  20.02 +/- 4.72   0.390% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  38 - HB2   PRO   68  14.45 +/- 2.81   0.690% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  17.92 +/- 2.71   0.259% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  19.84 +/- 4.82   0.818% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 65.0:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.01  96.660% * 98.6521% (0.92  10.0 10.00   3.24  64.99) =  99.992%  kept
        T HB2   PRO   68 - QG1   VAL   24  18.63 +/- 4.49   0.533% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          QB    GLN   32 - QG1   VAL   24  10.27 +/- 0.68   0.887% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - QG1   VAL   24  14.93 +/- 4.12   0.736% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  17.76 +/- 3.13   0.245% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  17.64 +/- 6.01   0.493% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  19.70 +/- 4.41   0.308% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  21.06 +/- 4.48   0.138% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.383, support = 5.57, residual support = 30.9:
      O   HN    ASN   69 - HB2   PRO   68   3.58 +/- 0.70  42.697% * 43.3230% (0.20  10.0   5.84  31.02) =  53.629%  kept
          HN    GLU-  25 - HB    VAL   24   3.74 +/- 0.63  40.006% * 33.1602% (0.53   1.0   5.87  34.14) =  38.462%  kept
          HN    ASN   28 - HB    VAL   24   5.51 +/- 0.48  11.806% * 23.0660% (0.92   1.0   2.33  14.53) =   7.895%  kept
          HN    ASP-  44 - HB    VAL   24  14.47 +/- 3.95   1.470% *  0.1216% (0.57   1.0   0.02   0.02) =   0.005%
          HN    ASP-  44 - HB2   PRO   68  14.54 +/- 2.50   1.813% *  0.0719% (0.33   1.0   0.02   0.02) =   0.004%
          HN    ASN   28 - HB2   PRO   68  19.52 +/- 4.87   0.810% *  0.1172% (0.55   1.0   0.02   0.02) =   0.003%
          HN    ASN   69 - HB    VAL   24  19.90 +/- 3.99   0.829% *  0.0732% (0.34   1.0   0.02   0.02) =   0.002%
          HN    GLU-  25 - HB2   PRO   68  22.57 +/- 5.11   0.570% *  0.0668% (0.31   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.66 +/- 0.29  99.541% * 99.9409% (0.38  10.0   4.68  64.99) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  21.94 +/- 4.80   0.459% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.08, residual support = 65.0:
          HN    VAL   24 - QG1   VAL   24   2.01 +/- 0.42 100.000% *100.0000% (0.73   4.08  64.99) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.422, support = 6.05, residual support = 125.0:
      O   HN    GLU-  25 - HB2   GLU-  25   2.85 +/- 0.42  86.074% * 88.5682% (0.41  10.0   6.14 127.38) =  98.096%  kept
          HN    ASN   28 - HB2   GLU-  25   5.66 +/- 0.24  13.157% * 11.2386% (0.98   1.0   1.06   3.86) =   1.903%  kept
          HN    ASP-  44 - HB2   GLU-  25  18.72 +/- 4.09   0.499% *  0.0966% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.20 +/- 3.64   0.271% *  0.0966% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.428, support = 5.74, residual support = 123.6:
      O   HN    GLU-  25 - HB3   GLU-  25   2.59 +/- 0.68  86.622% * 82.0978% (0.41  10.0   5.86 127.38) =  96.949%  kept
          HN    ASN   28 - HB3   GLU-  25   5.80 +/- 0.25  12.624% * 17.7231% (0.98   1.0   1.81   3.86) =   3.050%  kept
          HN    ASP-  44 - HB3   GLU-  25  18.93 +/- 4.34   0.402% *  0.0895% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  22.62 +/- 3.52   0.352% *  0.0895% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.22, residual support = 32.1:
          HN    THR   26 - HB3   GLU-  25   3.52 +/- 0.28  98.579% * 98.7373% (0.34   5.22  32.09) =  99.990%  kept
          HN    LEU   71 - HB3   GLU-  25  19.01 +/- 2.34   0.816% *  0.8468% (0.76   0.02   0.02) =   0.007%
          HN    GLU- 114 - HB3   GLU-  25  28.48 +/- 5.10   0.605% *  0.4159% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.93, residual support = 2.84:
          HN    SER   85 - HA    SER   82   3.55 +/- 0.25  78.275% * 86.4927% (0.26   2.96   2.87) =  98.911%  kept
          HN    LEU   80 - HA    SER   82   7.46 +/- 0.45   9.103% *  6.3314% (0.10   0.56   0.41) =   0.842%  kept
          HN    GLN   32 - HA    GLU-  25   9.26 +/- 0.68   4.795% *  2.2552% (1.00   0.02   0.02) =   0.158%  kept
          HN    SER   85 - HA    GLU-  25  23.38 +/- 9.06   1.039% *  1.8058% (0.80   0.02   0.02) =   0.027%
          HN    ALA   34 - HA    GLU-  25  12.34 +/- 0.77   1.947% *  0.9271% (0.41   0.02   0.02) =   0.026%
          HN    LEU   80 - HA    GLU-  25  19.30 +/- 8.27   2.277% *  0.6961% (0.31   0.02   0.02) =   0.023%
          HN    GLN   32 - HA    SER   82  25.43 +/- 8.46   0.688% *  0.7306% (0.32   0.02   0.02) =   0.007%
          HN    CYS   53 - HA    SER   82  19.85 +/- 3.79   1.256% *  0.1127% (0.05   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    SER   82  26.30 +/- 6.68   0.391% *  0.3003% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    GLU-  25  26.85 +/- 4.06   0.230% *  0.3480% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 5.51, residual support = 111.0:
      O   HN    GLU-  25 - HA    GLU-  25   2.70 +/- 0.02  69.208% * 71.9750% (0.41  10.0   5.86 127.38) =  86.728%  kept
          HN    ASN   28 - HA    GLU-  25   3.71 +/- 0.22  27.475% * 27.7383% (0.98   1.0   3.23   3.86) =  13.269%  kept
          HN    ASN   28 - HA    SER   82  21.69 +/- 9.62   1.108% *  0.0556% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  17.52 +/- 4.24   0.380% *  0.0785% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  21.27 +/-10.28   1.107% *  0.0233% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  21.06 +/- 3.69   0.230% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  16.40 +/- 2.22   0.373% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  26.29 +/- 4.03   0.119% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.341, support = 3.91, residual support = 7.94:
          HN    ALA   84 - HA    SER   82   4.16 +/- 0.17  46.389% * 52.7565% (0.20   5.31  10.21) =  64.416%  kept
          HD21  ASN   28 - HA    GLU-  25   4.76 +/- 0.31  31.912% * 42.1748% (0.61   1.37   3.86) =  35.425%  kept
          HD21  ASN   28 - HA    SER   82  20.13 +/-10.30   8.309% *  0.1988% (0.20   0.02   0.02) =   0.043%
          HE21  GLN   32 - HA    GLU-  25  10.70 +/- 2.06   4.430% *  0.2253% (0.22   0.02   0.02) =   0.026%
          HN    LEU   63 - HA    GLU-  25  20.90 +/- 4.28   0.782% *  1.0028% (0.99   0.02   0.02) =   0.021%
          HN    ALA   84 - HA    GLU-  25  21.76 +/- 8.57   1.213% *  0.6137% (0.61   0.02   0.02) =   0.020%
          HZ2   TRP   87 - HA    GLU-  25  22.45 +/- 7.50   1.114% *  0.4160% (0.41   0.02   0.02) =   0.012%
          HZ2   TRP   87 - HA    SER   82  10.67 +/- 0.99   3.042% *  0.1347% (0.13   0.02   0.02) =   0.011%
          HN    ILE   56 - HA    GLU-  25  26.35 +/- 3.77   0.279% *  0.9571% (0.95   0.02   0.02) =   0.007%
          HN    LEU   63 - HA    SER   82  23.45 +/- 5.03   0.744% *  0.3249% (0.32   0.02   0.02) =   0.006%
          HN    ILE   56 - HA    SER   82  21.76 +/- 4.49   0.700% *  0.3100% (0.31   0.02   0.02) =   0.006%
          HN    LYS+ 111 - HA    GLU-  25  26.55 +/- 3.71   0.267% *  0.6137% (0.61   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HA    SER   82  21.87 +/- 3.00   0.380% *  0.1988% (0.20   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  28.63 +/- 9.24   0.440% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.963, support = 1.14, residual support = 3.72:
          HB2   ASN   28 - HA    GLU-  25   3.27 +/- 0.56  68.686% * 80.0959% (0.99   1.15   3.86) =  96.358%  kept
          HB2   ASP-  86 - HA    SER   82   6.09 +/- 0.99  16.021% * 12.4282% (0.24   0.75   0.02) =   3.487%  kept
          QE    LYS+  33 - HA    GLU-  25  12.12 +/- 1.23   1.798% *  1.3991% (1.00   0.02   0.02) =   0.044%
          QE    LYS+  65 - HA    GLU-  25  19.85 +/- 4.99   1.002% *  1.2944% (0.92   0.02   0.02) =   0.023%
          HB2   ASP-  86 - HA    GLU-  25  22.76 +/- 8.61   1.116% *  1.0182% (0.73   0.02   0.02) =   0.020%
          HB2   ASN   28 - HA    SER   82  23.11 +/-10.23   2.293% *  0.4502% (0.32   0.02   0.02) =   0.018%
          HB2   ASP-  78 - HA    SER   82  10.75 +/- 1.32   2.398% *  0.2755% (0.20   0.02   0.02) =   0.012%
          QE    LYS+  65 - HA    SER   82  22.40 +/- 6.44   1.513% *  0.4193% (0.30   0.02   0.02) =   0.011%
          HB2   ASP-  78 - HA    GLU-  25  21.17 +/- 6.36   0.549% *  0.8505% (0.61   0.02   0.02) =   0.008%
          HB2   ASN   35 - HA    GLU-  25  15.56 +/- 1.42   0.798% *  0.5263% (0.38   0.02   0.02) =   0.007%
          HB2   ASP-  76 - HA    GLU-  25  18.07 +/- 6.07   0.937% *  0.2775% (0.20   0.02   0.02) =   0.005%
          HB2   ASP-  76 - HA    SER   82  12.06 +/- 1.10   1.766% *  0.0899% (0.06   0.02   0.02) =   0.003%
          QE    LYS+  33 - HA    SER   82  26.26 +/- 6.52   0.307% *  0.4532% (0.32   0.02   0.02) =   0.002%
          HB2   ASN   69 - HA    GLU-  25  21.89 +/- 3.72   0.460% *  0.1898% (0.14   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    SER   82  29.43 +/- 6.50   0.203% *  0.1705% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  27.56 +/- 3.80   0.153% *  0.0615% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.319, support = 2.74, residual support = 10.1:
          QB    ALA   84 - HA    SER   82   4.44 +/- 0.21  44.286% * 78.8409% (0.32   2.76  10.21) =  99.120%  kept
          HB3   LEU   80 - HA    SER   82   5.97 +/- 0.84  21.050% *  0.2803% (0.16   0.02   0.41) =   0.167%  kept
          HB2   LEU   31 - HA    GLU-  25   9.17 +/- 0.60   5.435% *  0.6063% (0.34   0.02   0.02) =   0.094%
          QB    ALA   84 - HA    GLU-  25  19.04 +/- 6.64   1.630% *  1.7618% (0.99   0.02   0.02) =   0.082%
          HG    LEU   98 - HA    GLU-  25  18.06 +/- 4.29   1.576% *  1.6815% (0.95   0.02   0.02) =   0.075%
          HB3   LEU   80 - HA    GLU-  25  20.07 +/- 9.12   2.725% *  0.8652% (0.49   0.02   0.02) =   0.067%
          HB3   LEU   73 - HA    GLU-  25  13.54 +/- 5.16   2.814% *  0.7308% (0.41   0.02   0.02) =   0.058%
          QB    ALA  124 - HA    GLU-  25  22.28 +/- 6.36   0.857% *  1.5419% (0.87   0.02   0.02) =   0.038%
          HG3   LYS+  33 - HA    GLU-  25  12.22 +/- 0.87   2.322% *  0.4942% (0.28   0.02   0.02) =   0.033%
          HB3   ASP-  44 - HA    GLU-  25  19.10 +/- 3.83   0.780% *  1.2907% (0.73   0.02   0.02) =   0.029%
          HB2   LEU   63 - HA    GLU-  25  19.83 +/- 4.14   0.931% *  1.0781% (0.61   0.02   0.02) =   0.028%
          HB3   PRO   93 - HA    GLU-  25  22.59 +/- 3.82   0.535% *  1.7736% (1.00   0.02   0.02) =   0.027%
          HB3   PRO   93 - HA    SER   82  16.61 +/- 2.83   1.282% *  0.5745% (0.32   0.02   0.02) =   0.021%
          HG3   LYS+ 106 - HA    GLU-  25  21.52 +/- 4.27   0.613% *  1.1499% (0.65   0.02   0.02) =   0.020%
          HB    VAL   42 - HA    GLU-  25  17.11 +/- 2.32   0.964% *  0.6063% (0.34   0.02   0.02) =   0.017%
          HG3   LYS+ 102 - HA    GLU-  25  21.86 +/- 5.10   0.704% *  0.7969% (0.45   0.02   0.02) =   0.016%
          HG3   LYS+  65 - HA    GLU-  25  21.70 +/- 5.06   0.871% *  0.6063% (0.34   0.02   0.02) =   0.015%
          HB3   ASP-  44 - HA    SER   82  17.36 +/- 2.50   1.173% *  0.4181% (0.24   0.02   0.02) =   0.014%
          HG3   LYS+  65 - HA    SER   82  24.25 +/- 6.72   2.313% *  0.1964% (0.11   0.02   0.02) =   0.013%
          HG    LEU   98 - HA    SER   82  22.05 +/- 5.10   0.690% *  0.5447% (0.31   0.02   0.02) =   0.011%
          HB2   LYS+ 112 - HA    GLU-  25  27.64 +/- 5.17   0.381% *  0.9352% (0.53   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HA    SER   82  21.03 +/- 4.25   0.809% *  0.3725% (0.21   0.02   0.02) =   0.009%
          HB2   LEU   63 - HA    SER   82  22.89 +/- 4.70   0.712% *  0.3492% (0.20   0.02   0.02) =   0.007%
          HB2   LEU   31 - HA    SER   82  23.67 +/- 8.38   1.077% *  0.1964% (0.11   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    SER   82  18.73 +/- 2.63   0.795% *  0.2367% (0.13   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HA    GLU-  25  28.19 +/- 4.51   0.282% *  0.4942% (0.28   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HA    SER   82  24.38 +/- 3.91   0.403% *  0.3029% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HA    SER   82  25.96 +/- 5.90   0.452% *  0.2582% (0.15   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  20.87 +/- 2.63   0.511% *  0.1964% (0.11   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    SER   82  29.80 +/- 4.51   0.193% *  0.4995% (0.28   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HA    SER   82  23.32 +/- 4.16   0.442% *  0.1601% (0.09   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  27.21 +/- 7.26   0.390% *  0.1601% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.66 A violated in 0 structures by 0.62 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.573, support = 0.02, residual support = 0.02:
          HB2   LEU  104 - HA    GLU-  25  20.28 +/- 5.07  11.828% * 19.8967% (0.80   0.02   0.02) =  23.959%  kept
          QG2   VAL  108 - HA    GLU-  25  20.36 +/- 3.83   8.531% * 22.9376% (0.92   0.02   0.02) =  19.921%  kept
          QG2   VAL  108 - HA    SER   82  15.96 +/- 3.37  20.172% *  7.4304% (0.30   0.02   0.02) =  15.260%  kept
          QD1   ILE  119 - HA    GLU-  25  19.57 +/- 4.51  10.902% * 12.0948% (0.49   0.02   0.02) =  13.424%  kept
          HG3   LYS+ 112 - HA    GLU-  25  26.94 +/- 4.88   4.992% * 15.0711% (0.61   0.02   0.02) =   7.660%  kept
          HG    LEU   63 - HA    GLU-  25  19.91 +/- 4.97  12.952% *  5.5320% (0.22   0.02   0.02) =   7.295%  kept
          HG3   LYS+ 112 - HA    SER   82  23.29 +/- 3.58   7.407% *  4.8821% (0.20   0.02   0.02) =   3.682%  kept
          HB2   LEU  104 - HA    SER   82  25.28 +/- 4.74   5.579% *  6.4453% (0.26   0.02   0.02) =   3.661%  kept
          QD1   ILE  119 - HA    SER   82  21.52 +/- 3.66   8.865% *  3.9180% (0.16   0.02   0.02) =   3.536%  kept
          HG    LEU   63 - HA    SER   82  23.75 +/- 5.22   8.773% *  1.7920% (0.07   0.02   0.02) =   1.601%  kept
    Distance limit 4.04 A violated in 20 structures by 7.56 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.285, support = 3.25, residual support = 23.5:
          HB2   GLU-  25 - HA    THR   26   4.25 +/- 0.36  29.972% * 79.1416% (0.31   4.07  32.09) =  72.608%  kept
          HB2   GLU-  29 - HA    THR   26   3.18 +/- 0.71  59.095% * 15.0218% (0.22   1.07   0.68) =  27.173%  kept
          QG    GLN   17 - HA    THR   26  12.68 +/- 3.38   7.688% *  0.5179% (0.41   0.02   0.02) =   0.122%  kept
          HB3   ASP-  76 - HA    THR   26  18.07 +/- 6.31   0.835% *  1.1298% (0.90   0.02   0.02) =   0.029%
          HG2   GLU- 100 - HA    THR   26  17.88 +/- 3.78   0.642% *  1.1917% (0.95   0.02   0.02) =   0.023%
          HB2   MET   96 - HA    THR   26  17.64 +/- 3.38   0.515% *  1.1298% (0.90   0.02   0.02) =   0.018%
          HB2   ASP- 105 - HA    THR   26  21.27 +/- 4.39   0.490% *  0.8653% (0.69   0.02   0.02) =   0.013%
          HB    VAL   70 - HA    THR   26  17.43 +/- 2.56   0.594% *  0.6132% (0.49   0.02   0.02) =   0.011%
          HG3   MET   92 - HA    THR   26  25.60 +/- 4.68   0.169% *  0.3888% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.94, residual support = 34.8:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.03  98.987% * 99.6670% (0.34  10.0   4.94  34.78) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.70 +/- 2.48   0.835% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  26.93 +/- 4.27   0.177% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 1.23, residual support = 3.54:
          HN    GLN   30 - HA    THR   26   4.74 +/- 0.69  24.080% * 81.1842% (0.69   1.44   4.73) =  70.877%  kept
          HN    GLU-  29 - HA    THR   26   3.38 +/- 0.18  57.982% * 13.3640% (0.22   0.73   0.68) =  28.094%  kept
          HN    GLU-  14 - HA    THR   26  13.73 +/- 5.66  15.923% *  1.6101% (0.98   0.02   0.02) =   0.930%  kept
          HE1   HIS  122 - HA    THR   26  19.43 +/- 5.94   1.057% *  1.4732% (0.90   0.02   0.02) =   0.056%
          HN    LYS+  99 - HA    THR   26  17.90 +/- 3.43   0.636% *  1.3721% (0.84   0.02   0.02) =   0.032%
          HN    ASP-  86 - HA    THR   26  25.12 +/- 7.91   0.323% *  0.9963% (0.61   0.02   0.02) =   0.012%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.441, support = 1.95, residual support = 11.6:
          HN    THR   23 - HB    THR   26   3.82 +/- 0.42  72.193% * 67.9280% (0.38   2.15  13.00) =  89.121%  kept
          HD2   HIS   22 - HB    THR   26   6.29 +/- 1.10  21.568% * 27.3931% (0.99   0.33   0.02) =  10.737%  kept
          HD1   TRP   49 - HB    THR   26  24.57 +/- 6.57   2.598% *  1.6662% (0.99   0.02   0.02) =   0.079%
          HN    LEU   67 - HB    THR   26  18.79 +/- 3.68   1.043% *  1.2847% (0.76   0.02   0.02) =   0.024%
          HD21  ASN   35 - HB    THR   26  15.80 +/- 1.19   1.136% *  1.1547% (0.69   0.02   0.02) =   0.024%
          QE    PHE   95 - HB    THR   26  18.16 +/- 3.00   1.463% *  0.5734% (0.34   0.02   0.02) =   0.015%
    Distance limit 3.78 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   3.03 +/- 0.20  95.673% * 98.0867% (0.84   4.46  22.69) =  99.988%  kept
          HN    THR   39 - HB    THR   26  16.64 +/- 1.62   0.682% *  0.4723% (0.90   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB    THR   26  15.70 +/- 1.31   0.786% *  0.2564% (0.49   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB    THR   26  22.79 +/- 6.14   0.439% *  0.4569% (0.87   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB    THR   26  20.14 +/- 4.74   1.153% *  0.1626% (0.31   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  19.68 +/- 3.95   0.580% *  0.2165% (0.41   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  24.28 +/- 5.61   0.399% *  0.2564% (0.49   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    THR   26  24.87 +/- 5.65   0.288% *  0.0922% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 34.8:
      O   HN    THR   26 - HB    THR   26   2.17 +/- 0.17  99.668% * 99.9615% (0.80  10.0   4.16  34.78) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.75 +/- 2.19   0.332% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.635, support = 0.516, residual support = 0.864:
          HA    ALA   20 - QG2   THR   26   5.51 +/- 1.40  37.458% * 70.7964% (0.87   0.40   0.16) =  66.420%  kept
          HA    CYS   21 - QG2   THR   26   4.55 +/- 2.12  49.689% * 26.7491% (0.18   0.75   2.28) =  33.290%  kept
          HA    LEU   71 - QG2   THR   26  11.52 +/- 2.71   9.937% *  0.6284% (0.15   0.02   0.02) =   0.156%  kept
          HA    LYS+ 102 - QG2   THR   26  16.66 +/- 3.69   2.917% *  1.8261% (0.45   0.02   0.02) =   0.133%  kept
    Distance limit 3.54 A violated in 4 structures by 0.67 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.821, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.17 +/- 4.27  31.006% * 18.7520% (0.92   0.02   0.02) =  42.061%  kept
          HG2   MET   11 - QG2   THR   26  15.24 +/- 4.31  14.702% * 19.2160% (0.95   0.02   0.02) =  20.438%  kept
          HB2   PRO   93 - QG2   THR   26  17.72 +/- 3.49  12.796% * 12.3210% (0.61   0.02   0.02) =  11.405%  kept
          HG2   PRO   58 - QG2   THR   26  19.59 +/- 3.75   8.435% * 17.6208% (0.87   0.02   0.02) =  10.752%  kept
          HG3   PRO   52 - QG2   THR   26  23.30 +/- 4.19   5.118% * 17.6208% (0.87   0.02   0.02) =   6.524%  kept
          HB    VAL  108 - QG2   THR   26  19.81 +/- 3.15  10.384% *  5.0653% (0.25   0.02   0.02) =   3.805%  kept
          HB2   PRO   68 - QG2   THR   26  16.42 +/- 3.44  12.998% *  3.1343% (0.15   0.02   0.02) =   2.947%  kept
          HB2   ARG+  54 - QG2   THR   26  22.64 +/- 3.54   4.561% *  6.2698% (0.31   0.02   0.02) =   2.069%  kept
    Distance limit 3.53 A violated in 18 structures by 5.75 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.747, residual support = 4.7:
        T HG2   GLN   30 - QG2   THR   26   3.44 +/- 0.91  77.550% * 96.7931% (0.99 10.00   0.75   4.73) =  99.340%  kept
          HB3   ASN   28 - QG2   THR   26   7.08 +/- 0.45  16.552% *  2.9766% (0.97  1.00   0.24   0.43) =   0.652%  kept
          QE    LYS+ 121 - QG2   THR   26  16.16 +/- 3.72   2.075% *  0.1580% (0.61  1.00   0.02   0.02) =   0.004%
          HB3   HIS  122 - QG2   THR   26  15.97 +/- 4.42   3.823% *  0.0724% (0.28  1.00   0.02   0.02) =   0.004%
    Distance limit 3.52 A violated in 1 structures by 0.28 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.921, support = 3.37, residual support = 15.3:
          QD1   LEU   73 - HB3   TRP   27   4.73 +/- 4.88  38.756% * 47.7585% (1.00   3.90  21.83) =  65.421%  kept
          QD2   LEU   80 - HB3   TRP   27  12.06 +/- 8.20  22.545% * 28.1619% (0.80   2.87   3.83) =  22.441%  kept
          QD1   LEU  104 - HB3   TRP   27  12.56 +/- 5.01  15.943% * 13.1647% (0.57   1.90   1.54) =   7.418%  kept
          QD1   LEU   63 - HB3   TRP   27  11.49 +/- 4.07  15.039% *  8.1426% (1.00   0.66   0.47) =   4.328%  kept
          QD2   LEU   63 - HB3   TRP   27  11.63 +/- 3.83   5.120% *  1.7853% (0.57   0.26   0.47) =   0.323%  kept
          QG1   VAL   83 - HB3   TRP   27  13.77 +/- 6.59   2.442% *  0.7824% (0.18   0.36   0.02) =   0.068%
          QD2   LEU  115 - HB3   TRP   27  15.57 +/- 3.04   0.155% *  0.2046% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 23.2:
        T HA    VAL   24 - HB3   TRP   27   3.66 +/- 0.40  92.347% * 98.5200% (0.76 10.00   3.00  23.22) =  99.963%  kept
        T HA    LYS+  38 - HB3   TRP   27  13.89 +/- 2.08   2.261% *  1.2636% (0.98 10.00   0.02   0.02) =   0.031%
        T HA    GLU- 100 - HB3   TRP   27  15.91 +/- 3.52   2.458% *  0.1989% (0.15 10.00   0.02   0.02) =   0.005%
          HA    VAL   83 - HB3   TRP   27  18.46 +/- 7.49   2.934% *  0.0174% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 23.2:
          HA    VAL   24 - HB2   TRP   27   2.20 +/- 0.24  98.754% * 99.1878% (0.97   3.00  23.22) =  99.997%  kept
          HA    LYS+  38 - HB2   TRP   27  14.91 +/- 1.90   0.392% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HD2   PRO   68 - HB2   TRP   27  17.37 +/- 3.59   0.455% *  0.1709% (0.25   0.02   0.02) =   0.001%
          HA    ALA   61 - HB2   TRP   27  16.34 +/- 3.67   0.399% *  0.0927% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.914, support = 3.18, residual support = 13.1:
          QD1   LEU   73 - HB2   TRP   27   5.64 +/- 4.92  35.225% * 39.3275% (0.90   3.90  21.83) =  53.785%  kept
          QD2   LEU   80 - HB2   TRP   27  12.12 +/- 8.45  25.181% * 30.4160% (0.98   2.76   3.83) =  29.736%  kept
          QD1   LEU  104 - HB2   TRP   27  13.47 +/- 5.18  15.370% * 18.0369% (0.84   1.92   1.54) =  10.763%  kept
          QD1   LEU   63 - HB2   TRP   27  12.52 +/- 4.24  13.638% * 10.3845% (0.90   1.03   0.47) =   5.499%  kept
          QG1   VAL   83 - HB2   TRP   27  13.95 +/- 6.93   3.276% *  1.5425% (0.38   0.37   0.02) =   0.196%  kept
          QD2   LEU   63 - HB2   TRP   27  12.69 +/- 4.00   7.082% *  0.0695% (0.31   0.02   0.47) =   0.019%
          QD2   LEU  115 - HB2   TRP   27  16.44 +/- 3.36   0.229% *  0.2230% (0.99   0.02   0.02) =   0.002%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.2, residual support = 19.8:
          QD1   LEU   31 - HA    ASN   28   3.25 +/- 0.57 100.000% *100.0000% (0.76   3.20  19.79) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.222, support = 5.18, residual support = 91.9:
      O T HA    GLU-  29 - HG3   GLU-  29   3.47 +/- 0.33  83.604% * 97.0747% (0.22  10.0 10.00   5.19  92.05) =  99.877%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.67 +/- 1.47   5.157% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.094%
          HA1   GLY   16 - HG3   GLU-  29  16.32 +/- 4.03   2.619% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.010%
          HB2   SER   37 - HG3   GLU-  29  15.44 +/- 2.36   1.243% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          HA    VAL   70 - HG3   GLU-  29  17.29 +/- 3.44   1.580% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   18 - HG3   GLU-  29  13.32 +/- 3.17   3.864% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - HG3   GLU-  29  25.13 +/- 4.80   0.426% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   GLU-  29  24.72 +/-10.71   1.507% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.02 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   2.70 +/- 0.07  85.005% * 99.7286% (0.98  10.0   3.65 107.21) =  99.983%  kept
          HE21  GLN   30 - HB2   TRP   27   6.58 +/- 1.90  13.858% *  0.0939% (0.92   1.0   0.02   0.02) =   0.015%
          QD    PHE   59 - HB2   TRP   27  16.14 +/- 3.29   0.881% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  22.79 +/- 5.32   0.257% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.39, residual support = 107.2:
      O   HN    TRP   27 - HB2   TRP   27   2.06 +/- 0.06  97.788% * 99.5184% (0.76  10.0   5.39 107.21) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  19.20 +/- 6.42   0.499% *  0.1202% (0.92   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.66 +/- 1.21   0.288% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.51 +/- 0.58   0.285% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.65 +/- 4.36   0.409% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  21.16 +/- 5.65   0.289% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.35 +/- 3.33   0.234% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  21.35 +/- 5.80   0.209% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.909, support = 5.53, residual support = 50.0:
          HN    ASN   28 - HB2   TRP   27   3.23 +/- 0.29  75.602% * 93.5353% (0.92   5.59  50.86) =  98.209%  kept
          HN    GLU-  25 - HB2   TRP   27   5.00 +/- 0.24  21.039% *  6.1108% (0.15   2.18   0.63) =   1.785%  kept
          HN    ASN   69 - HB2   TRP   27  17.18 +/- 2.88   0.909% *  0.2904% (0.80   0.02   0.02) =   0.004%
          HN    ASP-  44 - HB2   TRP   27  12.68 +/- 4.04   2.450% *  0.0635% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.768, support = 4.46, residual support = 105.2:
      O   HE3   TRP   27 - HB3   TRP   27   2.60 +/- 0.14  83.663% * 86.5759% (0.76  10.0   4.50 107.21) =  98.146%  kept
          HN    THR   23 - HB3   TRP   27   5.51 +/- 0.75  10.442% * 13.0755% (0.98   1.0   2.36   1.19) =   1.850%  kept
          HD2   HIS   22 - HB3   TRP   27   8.17 +/- 1.45   4.136% *  0.0252% (0.22   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   TRP   27  14.77 +/- 2.09   0.659% *  0.1123% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  15.37 +/- 3.10   0.667% *  0.0778% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  21.20 +/- 2.26   0.183% *  0.0946% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  21.68 +/- 5.11   0.250% *  0.0386% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 107.1:
      O   HD1   TRP   27 - HB3   TRP   27   3.80 +/- 0.07  59.132% * 99.7286% (0.98  10.0   4.08 107.21) =  99.935%  kept
          HE21  GLN   30 - HB3   TRP   27   5.40 +/- 2.05  38.588% *  0.0939% (0.92   1.0   0.02   0.02) =   0.061%
          QD    PHE   59 - HB3   TRP   27  15.14 +/- 2.98   1.795% *  0.0997% (0.98   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HB3   TRP   27  22.22 +/- 5.20   0.485% *  0.0778% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 107.2:
      O   HN    TRP   27 - HB3   TRP   27   3.20 +/- 0.19  91.780% * 99.5184% (0.76  10.0   5.64 107.21) =  99.993%  kept
          HN    THR   39 - HB3   TRP   27  13.48 +/- 1.39   1.451% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB3   TRP   27  18.87 +/- 6.00   1.078% *  0.1202% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   TRP   27  16.69 +/- 4.07   2.043% *  0.0489% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   TRP   27  13.66 +/- 0.71   1.262% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   TRP   27  16.32 +/- 2.95   1.037% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  20.74 +/- 5.29   0.798% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  20.92 +/- 5.41   0.550% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.06, residual support = 50.9:
          HN    ASN   28 - HB3   TRP   27   4.17 +/- 0.11  97.094% * 99.4973% (0.65   6.06  50.86) =  99.985%  kept
          HN    ASN   69 - HB3   TRP   27  15.88 +/- 2.66   2.906% *  0.5027% (0.99   0.02   0.02) =   0.015%
    Distance limit 3.85 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.222, support = 4.23, residual support = 19.8:
          HN    LEU   31 - HA    ASN   28   3.45 +/- 0.26  94.088% * 95.8475% (0.22   4.23  19.79) =  99.929%  kept
          HN    LYS+  38 - HA    ASN   28  12.33 +/- 1.19   2.302% *  1.9953% (0.98   0.02   0.02) =   0.051%
          HN    SER   37 - HA    ASN   28  12.45 +/- 0.82   2.049% *  0.3565% (0.18   0.02   0.02) =   0.008%
          HN    ASP-  62 - HA    ASN   28  19.72 +/- 3.52   1.267% *  0.5660% (0.28   0.02   0.02) =   0.008%
          HN    ARG+  54 - HA    ASN   28  25.91 +/- 3.13   0.293% *  1.2347% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.214, support = 6.33, residual support = 15.7:
          HN    GLN   30 - HA    ASN   28   3.87 +/- 0.22  72.195% * 64.7843% (0.18   6.73  16.71) =  93.679%  kept
          HE1   HIS  122 - HA    ASN   28  17.13 +/- 6.36  11.193% * 16.3133% (0.87   0.34   0.02) =   3.657%  kept
          HN    GLU-  14 - HA    ASN   28  14.71 +/- 4.67   7.248% * 17.6432% (0.73   0.44   0.02) =   2.561%  kept
          HN    LYS+  99 - HA    ASN   28  13.96 +/- 3.40   3.672% *  1.0146% (0.92   0.02   0.02) =   0.075%
          HN    ASN   35 - HA    ASN   28   9.16 +/- 0.77   5.692% *  0.2447% (0.22   0.02   0.02) =   0.028%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.96, residual support = 105.7:
      O   HN    ASN   28 - HB2   ASN   28   2.44 +/- 0.26  97.749% * 99.7686% (0.65  10.0   6.96 105.74) =  99.998%  kept
          HN    ASN   69 - HB2   ASN   28  19.24 +/- 3.85   0.679% *  0.1529% (0.99   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   ASN   35  16.00 +/- 3.46   0.785% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  12.92 +/- 1.44   0.787% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.12, residual support = 105.7:
      O   HD22  ASN   28 - HB3   ASN   28   3.36 +/- 0.08  98.725% * 99.9746% (0.98  10.0   4.12 105.74) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.94 +/- 2.02   1.275% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.54, residual support = 105.7:
      O   HD21  ASN   28 - HB3   ASN   28   4.04 +/- 0.04  91.750% * 99.7595% (0.87  10.0   3.54 105.74) =  99.993%  kept
          HZ2   TRP   87 - HB3   ASN   28  21.75 +/- 8.33   4.213% *  0.1127% (0.98   1.0   0.02   0.02) =   0.005%
          QE    PHE   60 - HB3   ASN   28  17.44 +/- 4.01   1.958% *  0.0790% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB3   ASN   28  20.16 +/- 3.88   1.518% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.41 +/- 3.54   0.561% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.47 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.611, support = 5.22, residual support = 26.3:
          HN    GLU-  29 - HB3   ASN   28   3.41 +/- 0.22  55.159% * 34.7476% (0.45   5.77  32.54) =  64.418%  kept
          HN    GLN   30 - HB3   ASN   28   5.07 +/- 0.17  16.758% * 57.1248% (0.92   4.61  16.71) =  32.175%  kept
          HN    GLU-  14 - HB3   ASN   28  15.24 +/- 5.83  13.006% *  4.7639% (0.80   0.44   0.02) =   2.082%  kept
          HE1   HIS  122 - HB3   ASN   28  18.98 +/- 6.86  13.110% *  2.9790% (0.65   0.34   0.02) =   1.313%  kept
          HN    ASP-  86 - HB3   ASN   28  23.69 +/- 9.16   0.842% *  0.2328% (0.87   0.02   0.02) =   0.007%
          HN    LYS+  99 - HB3   ASN   28  15.62 +/- 3.64   1.124% *  0.1520% (0.57   0.02   0.02) =   0.006%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 105.7:
      O   HN    ASN   28 - HB3   ASN   28   3.47 +/- 0.29  86.612% * 99.8777% (0.92  10.0   6.55 105.74) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   6.93 +/- 0.49  11.303% *  0.0167% (0.15   1.0   0.02   3.86) =   0.002%
          HN    ASN   69 - HB3   ASN   28  19.10 +/- 3.85   0.856% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  16.80 +/- 4.22   1.229% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.379, support = 4.38, residual support = 16.6:
          HN    GLN   30 - HB2   ASN   28   4.69 +/- 0.22  49.247% * 94.9868% (0.38   4.42  16.71) =  99.124%  kept
          HN    GLU-  14 - HB2   ASN   28  14.85 +/- 5.86  19.904% *  1.0832% (0.95   0.02   0.02) =   0.457%  kept
          HE1   HIS  122 - HB2   ASN   28  19.16 +/- 6.63  10.917% *  1.1426% (1.00   0.02   0.02) =   0.264%  kept
          HN    LYS+  99 - HB2   ASN   28  16.36 +/- 3.48   1.923% *  1.1426% (1.00   0.02   0.02) =   0.047%
          HN    LYS+  99 - HB2   ASN   35  12.64 +/- 3.38   6.085% *  0.3554% (0.31   0.02   0.02) =   0.046%
          HE1   HIS  122 - HB2   ASN   35  18.45 +/- 7.29   2.731% *  0.3554% (0.31   0.02   0.02) =   0.021%
          HN    GLN   30 - HB2   ASN   35  10.24 +/- 1.27   5.305% *  0.1337% (0.12   0.02   0.02) =   0.015%
          HN    GLU-  14 - HB2   ASN   35  16.07 +/- 3.83   1.934% *  0.3370% (0.29   0.02   0.02) =   0.014%
          HN    ASP-  86 - HB2   ASN   28  23.60 +/- 8.92   1.600% *  0.3534% (0.31   0.02   0.02) =   0.012%
          HN    ASP-  86 - HB2   ASN   35  28.96 +/- 5.91   0.354% *  0.1099% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 1 structures by 1.13 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.9, residual support = 105.7:
      O   HD21  ASN   28 - HB2   ASN   28   3.94 +/- 0.04  90.528% * 99.5979% (0.61  10.0   3.90 105.74) =  99.991%  kept
          HZ2   TRP   87 - HB2   ASN   28  21.92 +/- 7.87   2.865% *  0.1315% (0.80   1.0   0.02   0.02) =   0.004%
          QE    PHE   60 - HB2   ASN   28  17.29 +/- 4.06   1.958% *  0.1516% (0.92   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HB2   ASN   35  13.60 +/- 1.92   2.683% *  0.0310% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  19.43 +/- 3.00   0.965% *  0.0472% (0.29   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB2   ASN   35  25.09 +/- 6.97   1.002% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.487, support = 6.3, residual support = 26.1:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.02  57.790% * 94.6455% (0.49  10.0   6.34  26.24) =  99.373%  kept
          HN    GLU-  14 - HA    GLU-  29  14.03 +/- 5.35   8.712% *  1.8039% (0.99   1.0   0.19   0.02) =   0.286%  kept
          HE1   HIS  122 - HA    GLU-  29  18.72 +/- 6.72   5.130% *  1.3962% (0.99   1.0   0.14   0.02) =   0.130%  kept
          HN    GLN   30 - HA    LYS+  33   7.63 +/- 0.58   5.869% *  0.9734% (0.13   1.0   0.75   0.51) =   0.104%  kept
          HN    GLN   30 - HA    GLN   32   6.60 +/- 0.28   8.744% *  0.5880% (0.11   1.0   0.55   1.81) =   0.093%
          HN    LYS+  99 - HA    GLU-  29  15.20 +/- 2.95   1.076% *  0.1877% (0.96   1.0   0.02   0.02) =   0.004%
          HN    GLU-  14 - HA    LYS+  33  14.46 +/- 4.91   2.557% *  0.0529% (0.27   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  12.83 +/- 3.37   2.968% *  0.0420% (0.22   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    LYS+  33  18.24 +/- 6.49   1.671% *  0.0529% (0.27   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    GLN   32  17.98 +/- 6.73   1.951% *  0.0432% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  13.44 +/- 2.02   1.277% *  0.0515% (0.26   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLN   32  15.35 +/- 4.27   1.340% *  0.0432% (0.22   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  26.08 +/- 8.04   0.385% *  0.0799% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  26.92 +/- 7.52   0.344% *  0.0179% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  28.71 +/- 6.11   0.185% *  0.0219% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.515, support = 5.64, residual support = 77.9:
      O   HN    GLU-  29 - HB2   GLU-  29   2.39 +/- 0.38  68.455% * 57.8889% (0.41  10.0   5.41  92.05) =  78.563%  kept
          HN    GLN   30 - HB2   GLU-  29   3.38 +/- 0.34  26.164% * 41.2283% (0.90   1.0   6.53  26.24) =  21.385%  kept
          HN    GLU-  14 - HB2   GLU-  29  13.68 +/- 5.29   4.309% *  0.5831% (0.84   1.0   0.10   0.02) =   0.050%
          HE1   HIS  122 - HB2   GLU-  29  18.97 +/- 6.44   0.561% *  0.0967% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  29  16.30 +/- 3.02   0.365% *  0.0854% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLU-  29  25.87 +/- 7.65   0.146% *  0.1176% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.546, support = 4.98, residual support = 73.8:
      O   HN    GLU-  29 - HB3   GLU-  29   3.39 +/- 0.37  48.000% * 63.2020% (0.41  10.0   4.93  92.05) =  72.251%  kept
          HN    GLN   30 - HB3   GLU-  29   3.87 +/- 0.24  32.636% * 35.5090% (0.90   1.0   5.15  26.24) =  27.600%  kept
          HN    GLU-  14 - HB3   GLU-  29  13.47 +/- 5.40   7.500% *  0.7583% (0.84   1.0   0.12   0.02) =   0.135%  kept
          HE1   HIS  122 - HB3   GLU-  29  19.17 +/- 6.48   1.288% *  0.1056% (0.69   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - QB    GLU-  36  14.05 +/- 4.87   2.560% *  0.0398% (0.26   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - QB    GLU-  36   9.95 +/- 1.05   2.115% *  0.0427% (0.28   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - QB    GLU-  36  11.82 +/- 2.65   2.168% *  0.0289% (0.19   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  29  16.26 +/- 2.90   0.598% *  0.0932% (0.61   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  17.01 +/- 5.83   1.339% *  0.0327% (0.21   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  26.81 +/- 7.78   0.231% *  0.1284% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  11.41 +/- 1.20   1.420% *  0.0196% (0.13   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - QB    GLU-  36  26.70 +/- 4.27   0.147% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.937, support = 4.4, residual support = 91.7:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.74 +/- 0.22  40.111% * 95.1378% (0.99  10.0 10.00   4.40  92.05) =  94.314%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.41 +/- 0.13  57.069% *  4.0244% (0.04  10.0 10.00   4.28  86.25) =   5.676%  kept
        T HG2   GLU-  29 - QB    GLU-  36  11.16 +/- 1.97   0.849% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   GLU-  36 - HB3   GLU-  29  12.14 +/- 2.20   0.658% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HB3   GLU-  29  26.27 +/- 8.07   0.117% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  22.40 +/- 4.81   0.142% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  23.00 +/- 4.27   0.094% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  24.79 +/- 4.86   0.086% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.63 +/- 2.98   0.160% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  20.86 +/- 3.40   0.116% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  25.82 +/- 4.66   0.074% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  22.48 +/- 2.49   0.089% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  16.79 +/- 1.77   0.189% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  23.35 +/- 3.03   0.077% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.70 +/- 1.80   0.076% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  20.86 +/- 1.74   0.093% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.575, residual support = 0.509:
          QD    LYS+  33 - HA    GLN   30   3.51 +/- 0.79  93.690% * 30.4416% (0.95   0.53   0.51) =  93.013%  kept
          HB3   LEU  123 - HA    GLN   30  21.19 +/- 6.97   3.171% * 66.9779% (0.95   1.17   0.52) =   6.926%  kept
          HD2   LYS+  74 - HA    GLN   30  15.87 +/- 3.31   1.754% *  0.4548% (0.38   0.02   0.02) =   0.026%
          QB    ALA   57 - HA    GLN   30  19.67 +/- 2.63   0.839% *  0.8324% (0.69   0.02   0.02) =   0.023%
          HD3   LYS+ 111 - HA    GLN   30  28.15 +/- 2.76   0.292% *  0.8800% (0.73   0.02   0.02) =   0.008%
          HG3   ARG+  54 - HA    GLN   30  28.85 +/- 3.67   0.254% *  0.4134% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.15 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.703, support = 0.417, residual support = 0.512:
          QD2   LEU  123 - HA    GLN   30  17.18 +/- 6.00  17.472% * 69.6895% (0.90   0.34   0.52) =  73.129%  kept
          QD1   LEU  123 - HA    GLN   30  16.58 +/- 5.30  14.089% * 26.5692% (0.15   0.75   0.52) =  22.482%  kept
          HB3   LEU  104 - HA    GLN   30  15.74 +/- 4.24  17.986% *  1.8878% (0.41   0.02   0.68) =   2.039%  kept
          QD1   LEU   71 - HA    GLN   30   8.84 +/- 2.95  42.714% *  0.7085% (0.15   0.02   0.02) =   1.818%  kept
          HG3   LYS+ 121 - HA    GLN   30  18.76 +/- 5.52   7.739% *  1.1450% (0.25   0.02   0.02) =   0.532%  kept
    Distance limit 4.08 A violated in 13 structures by 3.43 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 6.37, residual support = 157.1:
      O   HN    GLN   30 - HA    GLN   30   2.82 +/- 0.03  81.138% * 88.2297% (0.98  10.0   6.41 160.02) =  97.809%  kept
          HN    GLU-  29 - HA    GLN   30   5.09 +/- 0.14  13.876% * 11.5356% (0.57   1.0   4.53  26.24) =   2.187%  kept
          HN    GLU-  14 - HA    GLN   30  12.52 +/- 4.47   2.160% *  0.0618% (0.69   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    GLN   30  16.34 +/- 6.10   1.565% *  0.0474% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   30  13.48 +/- 2.44   1.034% *  0.0404% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   30  25.34 +/- 6.46   0.227% *  0.0851% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 6.35, residual support = 157.2:
      O   HN    GLN   30 - HB2   GLN   30   3.36 +/- 0.36  74.223% * 89.5484% (0.98  10.0   6.40 160.02) =  97.913%  kept
          HN    GLU-  29 - HB2   GLN   30   5.90 +/- 0.45  13.814% * 10.2134% (0.57   1.0   3.95  26.24) =   2.078%  kept
          HE1   HIS  122 - HB2   GLN   30  14.85 +/- 6.04   5.759% *  0.0481% (0.53   1.0   0.02   0.02) =   0.004%
          HN    GLU-  14 - HB2   GLN   30  12.63 +/- 4.00   3.032% *  0.0628% (0.69   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HB2   GLN   30  12.75 +/- 2.53   2.687% *  0.0410% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB2   GLN   30  23.46 +/- 6.06   0.485% *  0.0864% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.643, support = 6.91, residual support = 158.9:
      O   HN    GLN   30 - HB3   GLN   30   2.40 +/- 0.42  85.025% * 93.1219% (0.65  10.0   6.93 160.02) =  99.129%  kept
          HN    GLU-  29 - HB3   GLN   30   4.81 +/- 0.54  10.795% *  6.3962% (0.20   1.0   4.49  26.24) =   0.864%  kept
          HE1   HIS  122 - HB3   GLN   30  15.29 +/- 6.00   1.422% *  0.1329% (0.92   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLN   30  13.00 +/- 2.90   1.443% *  0.1249% (0.87   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB3   GLN   30  12.99 +/- 3.86   1.111% *  0.1427% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB3   GLN   30  22.89 +/- 6.47   0.204% *  0.0815% (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 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.626, support = 7.27, residual support = 153.9:
          HN    GLN   30 - HG2   GLN   30   3.11 +/- 0.53  74.691% * 82.3817% (0.65   7.39 160.02) =  95.457%  kept
          HN    GLU-  29 - HG2   GLN   30   5.03 +/- 0.70  17.642% * 16.4646% (0.20   4.83  26.24) =   4.506%  kept
          HN    GLU-  14 - HG2   GLN   30  12.18 +/- 4.18   2.970% *  0.3416% (0.99   0.02   0.02) =   0.016%
          HN    LYS+  99 - HG2   GLN   30  14.49 +/- 3.32   2.209% *  0.2989% (0.87   0.02   0.02) =   0.010%
          HE1   HIS  122 - HG2   GLN   30  16.17 +/- 5.78   2.072% *  0.3181% (0.92   0.02   0.02) =   0.010%
          HN    ASP-  86 - HG2   GLN   30  23.92 +/- 6.18   0.416% *  0.1951% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.12, residual support = 159.1:
      O   HE21  GLN   30 - HG2   GLN   30   3.66 +/- 0.41  86.076% * 95.7841% (0.87  10.0   4.14 160.02) =  99.424%  kept
          HD1   TRP   27 - HG2   GLN   30   7.38 +/- 0.94  11.800% *  4.0299% (1.00   1.0   0.73   0.02) =   0.573%  kept
          QD    PHE   59 - HG2   GLN   30  16.62 +/- 2.78   1.650% *  0.1102% (1.00   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HG2   GLN   30  25.05 +/- 5.65   0.475% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.2, residual support = 159.7:
      O   HE21  GLN   30 - HG3   GLN   30   3.96 +/- 0.36  60.117% * 98.4424% (0.87  10.0   3.20 160.02) =  99.821%  kept
          HD1   TRP   27 - HG3   GLN   30   8.04 +/- 0.80   7.989% *  1.2541% (1.00   1.0   0.22   0.02) =   0.169%  kept
          QD    PHE   59 - HG3   GLN   30  16.64 +/- 3.01   1.342% *  0.1132% (1.00   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HB2   LYS+ 111   9.06 +/- 1.37   6.446% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   8.52 +/- 2.18  10.459% *  0.0088% (0.08   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB2   LYS+ 111  15.92 +/- 5.19   5.227% *  0.0157% (0.14   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG3   GLN   30  25.21 +/- 5.56   0.476% *  0.0780% (0.69   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  12.16 +/- 2.94   3.986% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.65 +/- 4.37   2.604% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.55 +/- 4.16   0.374% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.91 +/- 3.56   0.290% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.34 +/- 3.31   0.690% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.627, support = 6.46, residual support = 154.0:
          HN    GLN   30 - HG3   GLN   30   3.37 +/- 0.62  65.590% * 82.4814% (0.65   6.57 160.02) =  95.538%  kept
          HN    GLU-  29 - HG3   GLN   30   5.42 +/- 0.78  15.773% * 15.7660% (0.20   4.11  26.24) =   4.391%  kept
          HE1   HIS  122 - HG3   GLN   30  16.10 +/- 5.82   3.994% *  0.3581% (0.92   0.02   0.02) =   0.025%
          HN    GLU-  14 - HG3   GLN   30  12.55 +/- 4.29   3.285% *  0.3845% (0.99   0.02   0.02) =   0.022%
          HN    LYS+  99 - HG3   GLN   30  14.05 +/- 3.02   2.921% *  0.3365% (0.87   0.02   0.02) =   0.017%
          HN    ASP-  86 - HG3   GLN   30  24.21 +/- 6.41   0.519% *  0.2197% (0.57   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   LYS+ 111  16.68 +/- 2.63   0.759% *  0.0720% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  15.51 +/- 3.51   1.298% *  0.0279% (0.07   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  14.45 +/- 2.26   2.066% *  0.0171% (0.04   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  21.13 +/- 1.61   0.308% *  0.0676% (0.17   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.15 +/- 3.49   1.064% *  0.0196% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  21.81 +/- 2.72   0.330% *  0.0442% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.32 +/- 1.15   0.505% *  0.0262% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  26.28 +/- 2.60   0.238% *  0.0504% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  30.50 +/- 3.36   0.139% *  0.0773% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  25.71 +/- 3.61   0.214% *  0.0300% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.29 +/- 3.70   0.780% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  27.38 +/- 3.07   0.216% *  0.0154% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.228, support = 4.96, residual support = 40.4:
          HG    LEU   31 - HB3   GLN   30   4.19 +/- 0.35  53.118% * 44.4611% (0.15  1.00   6.15  52.29) =  76.670%  kept
          QD2   LEU  123 - HB3   GLN   30  16.72 +/- 5.88  11.730% * 35.6161% (0.61  1.00   1.25   0.52) =  13.563%  kept
          QD2   LEU   73 - HB3   GLN   30   6.84 +/- 3.80  32.695% *  8.7600% (0.25  1.00   0.75   2.63) =   9.298%  kept
          HG3   LYS+ 121 - HB3   GLN   30  18.05 +/- 5.36   1.585% *  6.6027% (0.98  1.00   0.14   0.02) =   0.340%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.82 +/- 2.01   0.871% *  4.5600% (0.49 10.00   0.02   0.02) =   0.129%  kept
    Distance limit 3.74 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 2.03, residual support = 2.1:
          QD1   LEU   73 - HB3   GLN   30   6.14 +/- 4.67  42.094% * 54.0828% (0.87   2.42   2.63) =  76.135%  kept
          QD1   LEU  104 - HB3   GLN   30  11.35 +/- 4.32  19.367% * 20.9223% (0.87   0.94   0.68) =  13.551%  kept
          QD1   LEU   63 - HB3   GLN   30  11.95 +/- 3.55  13.597% * 15.8135% (0.87   0.71   0.02) =   7.191%  kept
          QD2   LEU   80 - HB3   GLN   30  14.73 +/- 7.53  10.912% *  8.3138% (0.99   0.33   0.02) =   3.034%  kept
          QD2   LEU   63 - HB3   GLN   30  11.76 +/- 3.22   9.272% *  0.1430% (0.28   0.02   0.02) =   0.044%
          QG1   VAL   83 - HB3   GLN   30  15.93 +/- 6.21   3.686% *  0.2114% (0.41   0.02   0.02) =   0.026%
          QD2   LEU  115 - HB3   GLN   30  16.41 +/- 2.76   1.074% *  0.5132% (1.00   0.02   0.02) =   0.018%
    Distance limit 3.82 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.799, support = 0.02, residual support = 0.322:
          QD2   LEU  123 - HB2   GLN   30  16.29 +/- 5.84  38.276% * 54.6388% (0.97   0.02   0.52) =  60.342%  kept
          HG3   LYS+ 121 - HB2   GLN   30  17.71 +/- 5.21  29.949% * 36.6255% (0.65   0.02   0.02) =  31.649%  kept
          QD1   ILE   56 - HB2   GLN   30  17.74 +/- 2.03  31.775% *  8.7356% (0.15   0.02   0.02) =   8.009%  kept
    Distance limit 3.57 A violated in 19 structures by 9.58 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 1.07, residual support = 2.0:
          QD1   LEU   73 - HB2   GLN   30   6.33 +/- 4.54  41.288% * 46.8505% (0.87   1.27   2.63) =  70.992%  kept
          QD1   LEU  104 - HB2   GLN   30  11.16 +/- 3.77  17.784% * 27.9096% (0.87   0.76   0.68) =  18.215%  kept
          QD1   LEU   63 - HB2   GLN   30  11.67 +/- 3.28  14.070% * 10.2819% (0.87   0.28   0.02) =   5.309%  kept
          QD2   LEU   80 - HB2   GLN   30  15.28 +/- 7.14  10.583% * 10.6782% (0.99   0.25   0.02) =   4.147%  kept
          QD2   LEU   63 - HB2   GLN   30  11.35 +/- 3.01  10.939% *  3.0802% (0.28   0.26   0.02) =   1.237%  kept
          QD2   LEU  115 - HB2   GLN   30  16.24 +/- 2.58   1.704% *  0.8496% (1.00   0.02   0.02) =   0.053%
          QG1   VAL   83 - HB2   GLN   30  16.38 +/- 5.90   3.632% *  0.3501% (0.41   0.02   0.02) =   0.047%
    Distance limit 3.82 A violated in 4 structures by 0.69 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.99, residual support = 160.0:
      O T HA    GLN   30 - HG3   GLN   30   2.75 +/- 0.52  67.016% * 98.6729% (0.65  10.0 10.00   4.99 160.02) =  99.981%  kept
          QB    SER   13 - HG3   GLN   30  12.36 +/- 3.97   2.083% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   39 - HG3   GLN   30  12.00 +/- 3.15   2.148% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   52 - HB2   PRO   93  11.24 +/- 3.01   2.554% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB3   SER   37 - HG3   GLN   30  11.47 +/- 2.23   1.798% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG3   GLN   30  22.51 +/- 8.44   0.863% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   30 - HB2   PRO   93  21.79 +/- 3.20   0.483% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HB2   PRO   93  10.61 +/- 2.07   4.360% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   8.48 +/- 2.63   8.793% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  26.61 +/- 2.28   0.116% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  16.07 +/- 2.94   1.804% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.04 +/- 1.71   2.545% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  15.61 +/- 3.79   0.816% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  25.13 +/- 4.55   0.188% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  27.98 +/- 2.86   0.106% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  18.90 +/- 3.70   0.296% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.12 +/- 3.06   1.055% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.17 +/- 1.77   0.390% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  24.04 +/- 2.64   0.168% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  24.16 +/- 3.54   0.173% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.81 +/- 1.74   1.284% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.95 +/- 2.83   0.323% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.25 +/- 2.45   0.110% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  28.54 +/- 3.61   0.095% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  24.22 +/- 2.90   0.160% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  28.41 +/- 1.96   0.078% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.38 +/- 2.58   0.195% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.3, residual support = 26.1:
          HZ2   TRP   27 - QD1   LEU   31   2.41 +/- 0.46  97.920% * 99.8457% (0.87   2.30  26.15) =  99.997%  kept
          HZ    PHE   72 - QD1   LEU   31  11.36 +/- 2.11   2.080% *  0.1543% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.921, support = 0.975, residual support = 19.6:
          HD21  ASN   28 - QD1   LEU   31   4.29 +/- 0.69  57.480% * 93.9484% (0.92   0.99  19.79) =  98.931%  kept
          HZ2   TRP   87 - QD1   LEU   31  15.00 +/- 6.78  21.961% *  1.5788% (0.76   0.02   0.02) =   0.635%  kept
          HN    LEU   63 - QD1   LEU   31  13.73 +/- 2.98  11.721% *  1.5788% (0.76   0.02   0.02) =   0.339%  kept
          HN    ALA   84 - QD1   LEU   31  16.76 +/- 5.79   2.921% *  0.5744% (0.28   0.02   0.02) =   0.031%
          QE    PHE   60 - QD1   LEU   31  11.73 +/- 2.55   4.045% *  0.4088% (0.20   0.02   0.02) =   0.030%
          HN    ILE   56 - QD1   LEU   31  19.17 +/- 2.61   0.990% *  1.3364% (0.65   0.02   0.02) =   0.024%
          HN    LYS+ 111 - QD1   LEU   31  18.68 +/- 3.22   0.881% *  0.5744% (0.28   0.02   0.02) =   0.009%
    Distance limit 3.95 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  18.87 +/- 5.78  25.996% * 52.6698% (0.97   0.02   0.02) =  47.219%  kept
          HN    ASP- 105 - QD1   LEU   31  11.57 +/- 3.56  58.866% * 18.6164% (0.34   0.02   0.02) =  37.792%  kept
          HN    PHE   55 - QD1   LEU   31  20.65 +/- 2.70  15.138% * 28.7138% (0.53   0.02   0.02) =  14.990%  kept
    Distance limit 4.34 A violated in 20 structures by 6.55 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.69, residual support = 231.9:
          HN    LEU   31 - HG    LEU   31   2.45 +/- 0.45  95.821% * 99.1407% (0.67   7.69 231.88) =  99.991%  kept
          HN    LYS+  38 - HG    LEU   31   9.79 +/- 1.72   3.425% *  0.1997% (0.52   0.02   0.02) =   0.007%
          HN    ASP-  62 - HG    LEU   31  18.39 +/- 3.03   0.512% *  0.2768% (0.72   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG    LEU   31  25.13 +/- 2.85   0.121% *  0.3059% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  25.30 +/- 2.69   0.120% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.15, residual support = 231.8:
      O   HN    LEU   31 - HB3   LEU   31   3.52 +/- 0.05  89.071% * 99.3670% (0.34  10.0   7.15 231.88) =  99.967%  kept
          HN    LYS+  38 - HB3   LEU   31   8.57 +/- 1.36   9.028% *  0.2907% (1.00   1.0   0.02   0.02) =   0.030%
          HN    ASP-  62 - HB3   LEU   31  18.97 +/- 3.19   1.629% *  0.1198% (0.41   1.0   0.02   0.02) =   0.002%
          HN    ARG+  54 - HB3   LEU   31  25.98 +/- 3.05   0.272% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 5.23, residual support = 38.1:
          HN    GLN   32 - HB3   LEU   31   4.00 +/- 0.19  62.739% * 68.4436% (0.76   5.93  44.03) =  79.687%  kept
          HN    ALA   34 - HB3   LEU   31   5.06 +/- 0.67  35.212% * 31.0767% (0.84   2.46  14.95) =  20.307%  kept
          HN    LEU   80 - HB3   LEU   31  20.32 +/- 5.71   0.946% *  0.2193% (0.73   0.02   0.02) =   0.004%
          HN    SER   85 - HB3   LEU   31  23.83 +/- 6.85   0.811% *  0.1134% (0.38   0.02   0.02) =   0.002%
          HN    CYS   53 - HB3   LEU   31  25.44 +/- 3.06   0.292% *  0.1470% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.733, support = 2.45, residual support = 19.5:
        T HA    ASN   28 - HB2   LEU   31   3.75 +/- 0.51  65.815% * 75.9301% (0.73 10.00   2.55  19.79) =  95.165%  kept
        T HA    ALA   34 - HB2   LEU   31   7.38 +/- 0.49  10.904% * 22.6841% (0.90 10.00   0.48  14.95) =   4.710%  kept
          HA    THR   26 - HB2   LEU   31   8.97 +/- 0.36   5.199% *  0.8979% (0.76  1.00   0.22   0.02) =   0.089%
          HA1   GLY  101 - HB2   LEU   31  12.99 +/- 5.01  14.839% *  0.1036% (0.99  1.00   0.02   0.02) =   0.029%
        T HA    ALA  124 - HB2   LEU   31  21.21 +/- 7.01   1.516% *  0.1613% (0.15 10.00   0.02   0.02) =   0.005%
          HA    LEU  115 - HB2   LEU   31  20.35 +/- 3.13   0.653% *  0.0799% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  23.48 +/- 3.58   0.393% *  0.1036% (0.99  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - HB2   LEU   31  25.81 +/- 3.48   0.324% *  0.0233% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.34 +/- 3.05   0.356% *  0.0161% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.15, residual support = 231.9:
      O   HN    LEU   31 - HB2   LEU   31   2.66 +/- 0.16  96.821% * 99.3670% (0.34  10.0   7.15 231.88) =  99.992%  kept
          HN    LYS+  38 - HB2   LEU   31   9.47 +/- 0.97   2.393% *  0.2907% (1.00   1.0   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   LEU   31  19.52 +/- 3.39   0.660% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   31  26.41 +/- 3.03   0.126% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.771, support = 5.59, residual support = 41.1:
          HN    GLN   32 - HB2   LEU   31   3.01 +/- 0.43  79.697% * 68.0094% (0.76   5.93  44.03) =  90.003%  kept
          HN    ALA   34 - HB2   LEU   31   5.26 +/- 0.33  19.097% * 31.5140% (0.84   2.51  14.95) =   9.994%  kept
          HN    LEU   80 - HB2   LEU   31  20.42 +/- 6.25   0.593% *  0.2179% (0.73   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   LEU   31  23.99 +/- 7.30   0.438% *  0.1126% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  25.86 +/- 3.08   0.173% *  0.1461% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.15, residual support = 231.8:
      O   HN    LEU   31 - HA    LEU   31   2.77 +/- 0.06  93.861% * 99.3670% (0.34  10.0   7.15 231.88) =  99.982%  kept
          HN    LYS+  38 - HA    LEU   31   7.51 +/- 0.98   5.510% *  0.2907% (1.00   1.0   0.02   0.02) =   0.017%
          HN    ASP-  62 - HA    LEU   31  18.37 +/- 2.76   0.501% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  25.89 +/- 2.52   0.128% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 5.47, residual support = 37.9:
      O   HN    GLN   32 - HA    LEU   31   3.56 +/- 0.05  42.965% * 82.7969% (0.76  10.0   5.93  44.03) =  78.802%  kept
          HN    ALA   34 - HA    LEU   31   3.26 +/- 0.56  56.186% * 17.0310% (0.84   1.0   3.76  14.95) =  21.197%  kept
          HN    LEU   80 - HA    LEU   31  20.46 +/- 5.44   0.434% *  0.0787% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  24.33 +/- 6.11   0.276% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  25.42 +/- 2.43   0.139% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.678, support = 0.864, residual support = 0.819:
          QD1   LEU   73 - HA    LEU   31   7.86 +/- 3.62  38.926% * 29.9301% (0.49   1.12   1.31) =  49.697%  kept
          QD1   LEU  104 - HA    LEU   31   9.98 +/- 3.09  19.666% * 38.7119% (0.99   0.71   0.50) =  32.474%  kept
          QD1   LEU   63 - HA    LEU   31  11.80 +/- 3.27  19.454% * 12.5776% (0.49   0.47   0.02) =  10.437%  kept
          QD2   LEU   80 - HA    LEU   31  16.14 +/- 6.81   9.765% * 16.7720% (0.87   0.35   0.02) =   6.986%  kept
          QG1   VAL   83 - HA    LEU   31  16.78 +/- 6.01   7.258% *  0.8769% (0.80   0.02   0.02) =   0.272%  kept
          QD2   LEU  115 - HA    LEU   31  16.59 +/- 2.72   2.993% *  0.9148% (0.84   0.02   0.02) =   0.117%  kept
          QG2   ILE   89 - HA    LEU   31  19.17 +/- 3.83   1.937% *  0.2167% (0.20   0.02   0.02) =   0.018%
    Distance limit 3.89 A violated in 12 structures by 1.77 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 3.58, residual support = 17.1:
          HD1   TRP   87 - QG2   VAL   83   2.43 +/- 0.57  83.071% * 75.8197% (0.53   3.66  17.07) =  96.441%  kept
          HE3   TRP   87 - QG2   VAL   83   6.13 +/- 0.65  10.606% * 21.5348% (0.45   1.22  17.07) =   3.497%  kept
          HN    ALA   91 - QG2   VAL   83   8.02 +/- 1.41   4.270% *  0.6570% (0.84   0.02   0.02) =   0.043%
          HN    TRP   27 - QG2   VAL   83  15.97 +/- 5.84   0.817% *  0.7865% (1.00   0.02   0.02) =   0.010%
          HN    ALA   61 - QG2   VAL   83  14.64 +/- 2.55   0.807% *  0.6011% (0.76   0.02   0.02) =   0.007%
          HN    THR   39 - QG2   VAL   83  19.18 +/- 3.45   0.246% *  0.4453% (0.57   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   VAL   83  21.35 +/- 4.16   0.183% *  0.1557% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  13.58 +/- 2.37 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.23 A violated in 20 structures by 10.35 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.536, support = 0.02, residual support = 0.0612:
          QD    PHE   59 - QG2   VAL   42   7.49 +/- 1.83  47.960% * 17.5479% (0.39   0.02   0.02) =  37.878%  kept
          HE21  GLN   30 - QG2   VAL   42   9.57 +/- 2.52  27.514% * 30.1124% (0.67   0.02   0.02) =  37.289%  kept
          HD1   TRP   27 - QG2   VAL   42  11.22 +/- 2.34  17.487% * 17.5479% (0.39   0.02   0.32) =  13.811%  kept
          HH2   TRP   49 - QG2   VAL   42  15.67 +/- 2.88   7.039% * 34.7918% (0.77   0.02   0.02) =  11.023%  kept
    Distance limit 3.42 A violated in 18 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.744, support = 0.275, residual support = 1.41:
          QD2   LEU   40 - QG2   VAL   42   4.07 +/- 1.36  27.487% * 53.8241% (0.79  1.00   0.33   1.69) =  80.978%  kept
        T HB    VAL   75 - QG2   VAL   42   7.08 +/- 1.77  10.711% * 15.9508% (0.39 10.00   0.02   0.02) =   9.351%  kept
          QD1   LEU   67 - QG2   VAL   42   5.81 +/- 2.17  20.894% *  3.2697% (0.80  1.00   0.02   0.02) =   3.739%  kept
          HG3   LYS+  74 - QG2   VAL   42  10.05 +/- 2.32   2.073% * 20.1529% (0.76  1.00   0.13   0.02) =   2.286%  kept
          QD2   LEU   71 - QG2   VAL   42   5.09 +/- 1.82  20.817% *  1.5951% (0.39  1.00   0.02   1.97) =   1.817%  kept
          QG2   ILE  103 - QG2   VAL   42   6.70 +/- 1.47   6.548% *  3.2480% (0.79  1.00   0.02   0.02) =   1.164%  kept
          QD1   ILE  103 - QG2   VAL   42   6.89 +/- 1.50   7.515% *  1.2299% (0.30  1.00   0.02   0.02) =   0.506%  kept
          QG2   ILE  119 - QG2   VAL   42   8.91 +/- 2.62   3.956% *  0.7296% (0.18  1.00   0.02   0.02) =   0.158%  kept
    Distance limit 3.13 A violated in 1 structures by 0.26 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.978, support = 4.2, residual support = 25.8:
        T HZ2   TRP   27 - QD2   LEU   31   3.34 +/- 0.61  60.753% * 97.8542% (0.99 10.00   4.25  26.15) =  98.603%  kept
        T HZ2   TRP   27 - QG2   VAL   43   7.96 +/- 5.42  39.247% *  2.1458% (0.07 10.00   0.65   3.03) =   1.397%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.2, residual support = 52.2:
          HE22  GLN   30 - QD2   LEU   31   4.19 +/- 0.37  71.941% * 99.1215% (0.90   3.20  52.29) =  99.905%  kept
          HD22  ASN   69 - QD2   LEU   31  12.67 +/- 2.62  13.335% *  0.4471% (0.65   0.02   0.02) =   0.084%
          HE22  GLN   30 - QG2   VAL   43  10.55 +/- 3.44   8.178% *  0.0419% (0.06   0.02   0.02) =   0.005%
          HN    TRP   49 - QD2   LEU   31  19.49 +/- 4.02   0.960% *  0.3364% (0.49   0.02   0.02) =   0.005%
          HD22  ASN   69 - QG2   VAL   43  13.37 +/- 1.85   2.938% *  0.0303% (0.04   0.02   0.02) =   0.001%
          HN    TRP   49 - QG2   VAL   43  12.97 +/- 1.09   2.648% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.8:
      O T HA    VAL   43 - QG2   VAL   43   2.41 +/- 0.43  88.066% * 99.3737% (0.50  10.0 10.00   3.00  61.83) =  99.976%  kept
        T HA    VAL   43 - QD2   LEU   31   9.30 +/- 4.20   5.430% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.018%
          HA    ASN   69 - QG2   VAL   43  12.07 +/- 2.13   1.864% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    HIS   22 - QG2   VAL   43  12.59 +/- 3.19   1.615% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HA    HIS   22 - QD2   LEU   31  10.13 +/- 1.02   1.696% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  11.83 +/- 2.73   1.329% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.44, residual support = 24.6:
        T HZ3   TRP   27 - QD2   LEU   31   2.82 +/- 0.42  80.189% * 77.9392% (0.14 10.00   3.56  26.15) =  93.464%  kept
          HZ3   TRP   27 - QG2   VAL   43   7.27 +/- 4.32  19.811% * 22.0608% (0.50  1.00   1.62   3.03) =   6.536%  kept
    Distance limit 3.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.888, support = 4.31, residual support = 43.0:
          HN    GLN   32 - QG    GLN   32   3.49 +/- 0.57  76.390% * 84.0807% (0.92   4.37  45.23) =  94.964%  kept
          HN    ALA   34 - QG    GLN   32   5.57 +/- 0.30  22.130% * 15.3792% (0.22   3.31   0.69) =   5.032%  kept
          HN    SER   85 - QG    GLN   32  25.67 +/- 6.66   0.475% *  0.4027% (0.97   0.02   0.02) =   0.003%
          HN    LEU   80 - QG    GLN   32  22.61 +/- 5.67   0.562% *  0.0644% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.54 +/- 2.94   0.443% *  0.0731% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 4.4, residual support = 45.0:
      O   HN    GLN   32 - QB    GLN   32   2.15 +/- 0.10  89.834% * 95.8460% (0.92  10.0   4.41  45.23) =  99.548%  kept
          HN    ALA   34 - QB    GLN   32   4.58 +/- 0.19   9.713% *  4.0196% (0.22   1.0   3.48   0.69) =   0.451%  kept
          HN    SER   85 - QB    GLN   32  24.70 +/- 6.75   0.140% *  0.1002% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  21.49 +/- 5.95   0.183% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.48 +/- 2.73   0.129% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.264, support = 6.18, residual support = 54.4:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.02  25.502% * 65.7556% (0.36  10.0   6.34  26.24) =  56.044%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.77 +/- 0.05  50.875% * 25.3458% (0.14  10.0   6.09  92.05) =  43.096%  kept
          HN    GLN   30 - HA    GLN   32   6.60 +/- 0.28   3.841% *  2.8023% (0.55   1.0   0.55   1.81) =   0.360%  kept
          HN    GLN   30 - HA    LYS+  33   7.63 +/- 0.58   2.575% *  3.8990% (0.57   1.0   0.75   0.51) =   0.336%  kept
          HN    GLU-  14 - HA    GLU-  29  14.03 +/- 5.35   4.183% *  0.7095% (0.41   1.0   0.19   0.02) =   0.099%
          HE1   HIS  122 - HA    GLU-  29  18.72 +/- 6.72   2.469% *  0.4764% (0.36   1.0   0.14   0.02) =   0.039%
          HN    GLU-  14 - HA    LYS+  33  14.46 +/- 4.91   1.136% *  0.1199% (0.65   1.0   0.02   0.02) =   0.005%
          HN    LYS+  99 - HA    GLN   32  12.83 +/- 3.37   1.288% *  0.0916% (0.50   1.0   0.02   0.02) =   0.004%
          HN    GLU-  29 - HA    GLN   32   7.44 +/- 0.45   2.745% *  0.0389% (0.21   1.0   0.02   0.02) =   0.004%
          HE1   HIS  122 - HA    GLN   32  17.98 +/- 6.73   0.929% *  0.1010% (0.55   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    LYS+  33  18.24 +/- 6.49   0.794% *  0.1040% (0.57   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLN   32  15.35 +/- 4.27   0.619% *  0.1165% (0.63   1.0   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    LYS+  33   9.08 +/- 0.89   1.623% *  0.0401% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  13.44 +/- 2.02   0.563% *  0.0943% (0.51   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLU-  29  15.20 +/- 2.95   0.472% *  0.0596% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  26.92 +/- 7.52   0.144% *  0.0916% (0.50   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  26.08 +/- 8.04   0.163% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  28.71 +/- 6.11   0.078% *  0.0943% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.44, residual support = 44.0:
      O   HN    GLN   32 - HA    GLN   32   2.75 +/- 0.07  60.640% * 79.3244% (0.39  10.0   4.46  45.23) =  96.043%  kept
          HN    GLN   32 - HA    LYS+  33   5.25 +/- 0.15   8.842% * 19.0899% (0.40   1.0   4.68  15.12) =   3.370%  kept
          HN    GLN   32 - HA    GLU-  29   3.54 +/- 0.20  29.351% *  0.9984% (0.25   1.0   0.39   0.02) =   0.585%  kept
          HN    SER   85 - HA    GLN   32  27.58 +/- 7.18   0.132% *  0.1293% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  26.48 +/- 7.86   0.165% *  0.0842% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  29.32 +/- 5.91   0.079% *  0.1331% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.50 +/- 3.40   0.145% *  0.0682% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.53 +/- 2.36   0.111% *  0.0702% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  22.18 +/- 3.23   0.144% *  0.0444% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  23.94 +/- 4.36   0.120% *  0.0216% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  22.33 +/- 5.43   0.173% *  0.0141% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  25.12 +/- 3.85   0.098% *  0.0222% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.627, support = 5.95, residual support = 138.2:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.05  52.088% * 79.2369% (0.69  10.0   6.15 154.56) =  88.304%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.58 +/- 0.04  26.728% * 20.3775% (0.18  10.0   4.43  15.12) =  11.653%  kept
          HN    LYS+  33 - HA    GLU-  29   4.77 +/- 1.08  18.853% *  0.1031% (0.19   1.0   0.09   0.02) =   0.042%
          HN    CYS   21 - HA    LYS+  33  15.23 +/- 1.63   0.386% *  0.1035% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  12.09 +/- 1.07   0.755% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.15 +/- 0.86   0.368% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  22.33 +/- 4.02   0.160% *  0.0517% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  22.35 +/- 4.57   0.228% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  21.84 +/- 4.21   0.175% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  29.57 +/- 4.54   0.063% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  27.18 +/- 6.04   0.101% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  27.91 +/- 5.76   0.096% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.633, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  16.29 +/- 2.42  13.154% * 37.1179% (0.92   0.02   0.02) =  36.062%  kept
          HE3   TRP   27 - QB    LYS+  33   8.76 +/- 0.67  66.228% *  5.4417% (0.14   0.02   0.02) =  26.618%  kept
          HN    LYS+  66 - QB    LYS+  33  17.27 +/- 3.17  14.371% * 18.0271% (0.45   0.02   0.02) =  19.134%  kept
          HN    LYS+  81 - QB    LYS+  33  23.46 +/- 5.92   6.247% * 39.4132% (0.98   0.02   0.02) =  18.186%  kept
    Distance limit 3.76 A violated in 20 structures by 4.85 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 = 154.6:
      O   HN    LYS+  33 - QB    LYS+  33   2.46 +/- 0.28  98.587% * 99.9232% (0.97  10.0   6.11 154.56) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  12.11 +/- 1.91   1.009% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  19.30 +/- 3.82   0.404% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.881, support = 5.64, residual support = 36.9:
          HN    ALA   34 - QB    LYS+  33   3.34 +/- 0.36  72.031% * 67.5580% (0.92   5.93  40.78) =  84.889%  kept
          HN    GLN   32 - QB    LYS+  33   4.83 +/- 0.41  27.051% * 32.0173% (0.65   4.01  15.12) =  15.109%  kept
          HN    LEU   80 - QB    LYS+  33  21.74 +/- 5.06   0.471% *  0.2063% (0.84   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    LYS+  33  26.23 +/- 2.12   0.166% *  0.1498% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  25.39 +/- 5.17   0.282% *  0.0687% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.53, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  14.76 +/- 1.69  30.461% * 24.3087% (0.57   0.02   0.02) =  43.475%  kept
          HN    GLY   16 - QB    LYS+  33  11.39 +/- 3.78  54.865% *  8.4971% (0.20   0.02   0.02) =  27.372%  kept
          HN    SER   82 - QB    LYS+  33  23.75 +/- 6.39   9.602% * 34.3809% (0.80   0.02   0.02) =  19.383%  kept
          HN    GLN   90 - QB    LYS+  33  26.30 +/- 3.61   5.071% * 32.8133% (0.76   0.02   0.02) =   9.770%  kept
    Distance limit 3.96 A violated in 19 structures by 6.25 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.515, support = 5.58, residual support = 150.5:
      O   HA    LYS+  33 - HG2   LYS+  33   3.88 +/- 0.33  37.065% * 92.8206% (0.53  10.0   5.64 154.56) =  97.054%  kept
          HB2   SER   82 - QG    LYS+  81   5.82 +/- 1.43  19.256% *  4.7258% (0.13   1.0   4.02  19.91) =   2.567%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.77 +/- 1.34   9.701% *  0.9758% (0.38   1.0   0.29   0.02) =   0.267%  kept
          HB2   SER   37 - HG2   LYS+  33   7.97 +/- 2.42  11.933% *  0.1474% (0.84   1.0   0.02   0.02) =   0.050%
          HA    VAL   70 - HG2   LYS+  33  11.75 +/- 3.88   9.075% *  0.1474% (0.84   1.0   0.02   0.02) =   0.038%
          HA    VAL   18 - HG2   LYS+  33  11.51 +/- 2.70   3.512% *  0.0602% (0.34   1.0   0.02   0.02) =   0.006%
          HA1   GLY   16 - HG2   LYS+  33  13.00 +/- 4.04   2.098% *  0.0859% (0.49   1.0   0.02   0.02) =   0.005%
          HA    GLN  116 - HG2   LYS+ 106  15.03 +/- 2.41   0.899% *  0.0894% (0.51   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+ 106  15.79 +/- 2.60   0.819% *  0.0894% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HG2   LYS+  33  22.26 +/- 3.09   0.325% *  0.1474% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  19.07 +/- 2.49   0.411% *  0.0894% (0.51   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  22.14 +/- 3.73   0.492% *  0.0706% (0.40   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    LYS+  81  21.31 +/- 2.91   0.344% *  0.0706% (0.40   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    LYS+  81  21.26 +/- 8.76   0.669% *  0.0288% (0.16   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG    LYS+  81  25.76 +/- 9.10   0.456% *  0.0411% (0.23   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+ 106  22.68 +/- 5.06   0.350% *  0.0521% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  26.08 +/- 8.23   0.332% *  0.0491% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  21.55 +/- 5.29   0.541% *  0.0297% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.09 +/- 1.96   0.278% *  0.0563% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  22.80 +/- 7.09   0.423% *  0.0317% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  20.02 +/- 3.39   0.350% *  0.0365% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.03 +/- 2.97   0.316% *  0.0402% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.18 +/- 3.25   0.163% *  0.0706% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  25.69 +/- 5.54   0.191% *  0.0444% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 123.2:
        T QD1   ILE   56 - QG2   ILE   56   2.45 +/- 0.63  85.873% * 99.6085% (0.98 10.00   5.01 123.21) =  99.987%  kept
          QD2   LEU   73 - QG2   ILE   56  10.46 +/- 3.24  10.639% *  0.0814% (0.80  1.00   0.02   0.02) =   0.010%
        T QG1   VAL   41 - QG2   ILE   56  14.24 +/- 1.22   0.672% *  0.1568% (0.15 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  13.83 +/- 1.84   0.766% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QG2   ILE   56  11.47 +/- 2.18   1.719% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  18.33 +/- 2.23   0.331% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.981, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.98 +/- 1.42  75.186% * 49.9558% (0.99 10.00   0.02   0.02) =  96.830%  kept
        T HA    ILE   19 - QG2   ILE   56  17.20 +/- 3.30   2.100% * 42.0992% (0.84 10.00   0.02   0.02) =   2.279%  kept
          HA    GLU- 114 - QG2   ILE   56   9.50 +/- 1.79  18.263% *  1.2568% (0.25  1.00   0.02   0.02) =   0.592%  kept
          HA    GLU-  25 - QG2   ILE   56  20.90 +/- 3.39   2.361% *  3.0570% (0.61  1.00   0.02   0.02) =   0.186%  kept
          HA    THR   26 - QG2   ILE   56  20.72 +/- 3.13   1.327% *  2.8535% (0.57  1.00   0.02   0.02) =   0.098%
          HA1   GLY  101 - QG2   ILE   56  21.89 +/- 2.04   0.763% *  0.7777% (0.15  1.00   0.02   0.02) =   0.015%
    Distance limit 3.21 A violated in 6 structures by 1.02 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 = 0.899, support = 3.93, residual support = 19.3:
          HA    PHE   55 - QG2   ILE   56   4.53 +/- 0.73  41.644% * 87.3721% (0.92   4.23  20.94) =  91.397%  kept
          HA    ALA  110 - QG2   ILE   56   6.45 +/- 2.63  29.178% * 11.6153% (0.65   0.80   1.56) =   8.513%  kept
          HA    THR   46 - QG2   ILE   56   7.15 +/- 2.70  24.376% *  0.0886% (0.20   0.02   0.02) =   0.054%
          HA    VAL   42 - QG2   ILE   56  12.32 +/- 1.71   2.048% *  0.3585% (0.80   0.02   0.02) =   0.018%
          HA    GLN   90 - QG2   ILE   56  13.16 +/- 2.38   1.723% *  0.3422% (0.76   0.02   0.02) =   0.015%
          HA    GLN   17 - QG2   ILE   56  17.85 +/- 4.72   0.741% *  0.1116% (0.25   0.02   0.02) =   0.002%
          HA    SER   37 - QG2   ILE   56  23.06 +/- 1.74   0.290% *  0.1116% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 2 structures by 0.60 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   9.97 +/- 1.45 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 6.93 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 5.23, residual support = 31.2:
          HN    ALA   57 - QG2   ILE   56   3.45 +/- 0.83  75.768% * 99.1025% (0.92   5.24  31.20) =  99.897%  kept
          HE21  GLN  116 - QG2   ILE   56   9.20 +/- 3.03  17.469% *  0.3556% (0.87   0.02   0.02) =   0.083%
          HN    ALA  120 - QG2   ILE   56  10.77 +/- 1.85   5.312% *  0.1995% (0.49   0.02   0.02) =   0.014%
          HE21  GLN   90 - QG2   ILE   56  15.04 +/- 2.58   1.451% *  0.3424% (0.84   0.02   0.02) =   0.007%
    Distance limit 3.53 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.642, support = 6.63, residual support = 121.7:
          HN    ILE   56 - QG2   ILE   56   2.57 +/- 0.49  70.612% * 91.3288% (0.65   6.70 123.21) =  98.754%  kept
          QE    PHE   60 - QG2   ILE   56   6.37 +/- 2.13  18.284% *  3.1273% (0.20   0.75   4.30) =   0.876%  kept
          HN    LYS+ 111 - QG2   ILE   56   7.28 +/- 1.42   5.078% *  4.3937% (0.28   0.75   1.77) =   0.342%  kept
          HN    LEU   63 - QG2   ILE   56   8.22 +/- 1.27   3.820% *  0.3220% (0.76   0.02   0.02) =   0.019%
          HD21  ASN   28 - QG2   ILE   56  18.79 +/- 3.28   1.087% *  0.3890% (0.92   0.02   0.02) =   0.006%
          HZ2   TRP   87 - QG2   ILE   56  15.88 +/- 3.31   0.470% *  0.3220% (0.76   0.02   0.02) =   0.002%
          HN    ALA   84 - QG2   ILE   56  14.75 +/- 2.81   0.649% *  0.1172% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.783, support = 2.52, residual support = 5.15:
        T HB    THR   39 - QB    ALA   34   5.17 +/- 1.39  29.774% * 93.1822% (0.80 10.00   2.61   5.13) =  93.024%  kept
          HA    GLN   30 - QB    ALA   34   4.68 +/- 1.37  34.309% *  4.4999% (0.44  1.00   1.78   7.23) =   5.177%  kept
          HB3   SER   37 - QB    ALA   34   5.50 +/- 1.28  27.500% *  1.9257% (0.69  1.00   0.49   0.11) =   1.776%  kept
          QB    SER   13 - QB    ALA   34  11.34 +/- 2.91   5.476% *  0.0959% (0.83  1.00   0.02   0.02) =   0.018%
          HB3   SER   82 - QB    ALA   34  19.76 +/- 5.30   0.718% *  0.1030% (0.89  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QB    ALA   34  14.56 +/- 2.87   1.301% *  0.0390% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  21.42 +/- 3.23   0.352% *  0.0794% (0.69  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  23.89 +/- 1.48   0.224% *  0.0588% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  20.44 +/- 1.52   0.346% *  0.0160% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 2.04, residual support = 15.0:
          HA    LEU   31 - QB    ALA   34   2.32 +/- 0.58 100.000% *100.0000% (0.65   2.04  14.95) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.756, support = 2.76, residual support = 7.64:
        T QG1   VAL   41 - QB    ALA   34   4.22 +/- 2.27  43.175% * 88.3373% (0.75 10.00   2.82   6.90) =  90.658%  kept
          HG    LEU   31 - QB    ALA   34   4.46 +/- 1.00  37.134% * 10.4858% (0.83  1.00   2.15  14.95) =   9.255%  kept
        T QG2   VAL   18 - QB    ALA   34   9.21 +/- 2.49   4.974% *  0.4348% (0.37 10.00   0.02   0.02) =   0.051%
          QD2   LEU   73 - QB    ALA   34   7.14 +/- 2.20   8.502% *  0.0847% (0.72  1.00   0.02   0.02) =   0.017%
        T QD1   ILE   56 - QB    ALA   34  15.35 +/- 1.66   0.709% *  0.5564% (0.47 10.00   0.02   0.02) =   0.009%
          QG1   VAL   43 - QB    ALA   34   8.46 +/- 2.04   4.628% *  0.0684% (0.58  1.00   0.02   0.02) =   0.008%
          QG2   THR   46 - QB    ALA   34  13.75 +/- 1.44   0.878% *  0.0326% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 2.60 A violated in 1 structures by 0.53 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.45, residual support = 21.0:
          HN    ASN   35 - QB    ALA   34   3.01 +/- 0.04  95.833% * 98.6551% (0.62   3.45  21.05) =  99.981%  kept
          HN    ALA   12 - QB    ALA   34  15.43 +/- 3.18   1.318% *  0.8309% (0.89   0.02   0.02) =   0.012%
          HN    PHE   97 - QB    ALA   34  10.91 +/- 1.39   2.358% *  0.2570% (0.28   0.02   0.02) =   0.006%
          HN    LEU  115 - QB    ALA   34  17.98 +/- 1.81   0.491% *  0.2570% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.67, residual support = 24.9:
      O   HN    ALA   34 - QB    ALA   34   2.07 +/- 0.09  98.943% * 99.6936% (0.58  10.0   3.67  24.95) =  99.999%  kept
          HN    THR   26 - QB    ALA   34  10.74 +/- 0.81   0.765% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  17.95 +/- 3.54   0.202% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.62 +/- 1.46   0.090% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 3.47, residual support = 24.9:
      O   HN    ALA   34 - HA    ALA   34   2.75 +/- 0.03  91.084% * 99.6949% (0.87  10.0   3.47  24.95) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.63 +/- 0.23   6.566% *  0.0287% (0.25   1.0   0.02   0.69) =   0.002%
          HN    ALA   34 - HA    ALA  124  20.00 +/- 7.39   0.980% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA   34  23.01 +/- 4.17   0.208% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.29 +/- 1.48   0.095% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  21.41 +/- 7.58   0.888% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.41 +/- 1.46   0.106% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  30.82 +/- 3.52   0.073% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.823, support = 1.63, residual support = 4.44:
          HB    THR   39 - HA    ALA   34   5.71 +/- 2.21  25.866% * 72.6974% (0.88   1.94   5.13) =  74.849%  kept
          HB3   SER   37 - HA    ALA   34   4.73 +/- 1.73  31.311% * 13.5465% (0.89   0.36   0.11) =  16.884%  kept
          HA    GLN   30 - HA    ALA   34   6.20 +/- 1.48  20.260% *  9.9232% (0.16   1.48   7.23) =   8.003%  kept
          QB    SER   13 - HA    ALA   34  13.41 +/- 4.15   5.343% *  0.7377% (0.87   0.02   0.02) =   0.157%  kept
          QB    SER   13 - HA    ALA  124  20.21 +/- 7.64   7.722% *  0.1694% (0.20   0.02   0.02) =   0.052%
          HB    THR  118 - HA    ALA   34  18.58 +/- 3.14   0.663% *  0.5842% (0.69   0.02   0.02) =   0.015%
          HB3   SER   37 - HA    ALA  124  20.67 +/- 7.50   1.116% *  0.1751% (0.21   0.02   0.02) =   0.008%
          HB    THR  118 - HA    ALA  124  13.72 +/- 0.96   1.346% *  0.1341% (0.16   0.02   0.02) =   0.007%
          HB    THR   39 - HA    ALA  124  20.30 +/- 7.35   0.987% *  0.1720% (0.20   0.02   0.02) =   0.007%
          HA    GLN   30 - HA    ALA  124  20.67 +/- 7.66   4.547% *  0.0307% (0.04   0.02   0.02) =   0.006%
          HA    ILE   89 - HA    ALA   34  27.27 +/- 3.74   0.182% *  0.7628% (0.89   0.02   0.02) =   0.006%
          HB3   SER   82 - HA    ALA   34  25.26 +/- 6.19   0.208% *  0.5551% (0.65   0.02   0.02) =   0.005%
          HA    ILE   89 - HA    ALA  124  32.21 +/- 3.02   0.128% *  0.1751% (0.21   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  30.07 +/- 1.49   0.109% *  0.1702% (0.20   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    ALA  124  33.83 +/- 5.33   0.096% *  0.1274% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.43 +/- 1.75   0.117% *  0.0391% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.896, support = 4.02, residual support = 54.6:
      O T HA    ASN   35 - HB2   ASN   35   2.62 +/- 0.11  71.797% * 97.5620% (0.90  10.0 10.00   4.02  54.66) =  99.876%  kept
        T HA    LEU   40 - HB2   ASN   35  10.17 +/- 1.93  10.644% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.107%  kept
          HA    LYS+  99 - HB2   ASN   35  10.67 +/- 3.20   2.869% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - HB2   ASN   35  15.19 +/- 2.86   0.473% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASN   35 - HB2   ASN   28  12.95 +/- 1.16   0.677% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - HB2   ASN   28  15.01 +/- 3.95   1.091% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB2   ASN   28  15.27 +/- 6.38   9.058% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - HB2   ASN   28  14.95 +/- 1.41   0.458% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   ASN   35  20.89 +/- 8.28   0.468% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  16.78 +/- 4.43   0.701% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.43 +/- 3.00   0.597% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  22.77 +/- 7.40   0.429% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.44 +/- 2.85   0.065% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  26.11 +/- 3.95   0.109% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.83 +/- 3.73   0.162% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  24.20 +/- 4.75   0.210% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  28.67 +/- 3.63   0.063% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  27.50 +/- 4.63   0.130% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.83, residual support = 54.7:
      O   HN    ASN   35 - HB2   ASN   35   3.03 +/- 0.51  71.856% * 99.6071% (0.57  10.0   5.83  54.66) =  99.986%  kept
          HN    LYS+  99 - HB2   ASN   35  12.64 +/- 3.38   2.943% *  0.0996% (0.57   1.0   0.02   0.02) =   0.004%
          HE1   HIS  122 - HB2   ASN   28  19.16 +/- 6.63   9.045% *  0.0266% (0.15   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HB2   ASN   28  14.85 +/- 5.86   7.219% *  0.0187% (0.11   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   ASN   35  18.45 +/- 7.29   1.189% *  0.0856% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   ASN   35  19.49 +/- 5.40   3.064% *  0.0308% (0.18   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   ASN   28  10.92 +/- 0.89   1.886% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASN   35  16.07 +/- 3.83   0.897% *  0.0600% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  16.36 +/- 3.48   1.086% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  18.08 +/- 6.41   0.816% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 54.7:
      O   HD21  ASN   35 - HB2   ASN   35   2.92 +/- 0.49  92.885% * 99.7208% (1.00  10.0   3.58  54.66) =  99.998%  kept
          HD21  ASN   35 - HB2   ASN   28  11.37 +/- 1.43   2.557% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.04 +/- 1.19   1.920% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  19.95 +/- 1.59   0.346% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.12 +/- 2.99   0.633% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.78 +/- 4.61   0.154% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  26.12 +/- 5.90   0.426% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  19.68 +/- 3.80   0.578% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  28.32 +/- 7.56   0.414% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  34.33 +/- 4.83   0.088% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.825, support = 2.47, residual support = 6.33:
        T HA    GLN   32 - HB2   ASN   35   4.73 +/- 1.12  28.610% * 74.0291% (0.99 10.00   2.02   3.33) =  79.902%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.32 +/- 0.41  16.748% * 16.6286% (0.22 10.00   2.94   5.56) =  10.506%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.32 +/- 0.19  31.764% *  7.9253% (0.11 10.00   5.74  32.54) =   9.497%  kept
        T HA    GLN   32 - HB2   ASN   28   8.18 +/- 1.07   5.894% *  0.2303% (0.31 10.00   0.02   0.02) =   0.051%
        T HA    GLU-  29 - HB2   ASN   35   9.57 +/- 1.21   2.749% *  0.2548% (0.34 10.00   0.02   0.02) =   0.026%
        T HA    LYS+  65 - HB2   ASN   35  21.33 +/- 3.05   0.355% *  0.3349% (0.45 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - HB2   ASN   28  10.75 +/- 1.12   2.178% *  0.0517% (0.07 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   28  20.14 +/- 4.35   0.576% *  0.1042% (0.14 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HB2   ASN   28  21.81 +/-11.17   3.999% *  0.0104% (0.14  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HB2   ASN   35  16.41 +/- 3.11   0.950% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  16.30 +/- 2.48   0.740% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   28  13.44 +/- 1.94   1.305% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  31.73 +/- 4.93   0.107% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  22.52 +/- 8.49   0.889% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.35 +/- 4.00   0.122% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  26.43 +/- 7.70   0.320% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  28.26 +/- 7.30   0.216% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  32.18 +/- 2.43   0.083% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  24.41 +/- 5.64   0.291% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  27.75 +/- 5.40   0.185% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  17.38 +/- 3.17   0.548% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  22.31 +/- 6.56   0.412% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  27.82 +/- 3.95   0.144% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  23.34 +/- 6.37   0.815% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 4.92, residual support = 51.4:
          QB    GLU-  36 - HB3   ASN   35   4.31 +/- 0.27  69.126% * 96.6578% (0.99   4.95  51.65) =  99.542%  kept
          HB2   LYS+  38 - HB3   ASN   35   6.91 +/- 0.92  21.183% *  1.0293% (0.18   0.30   0.02) =   0.325%  kept
          HB3   GLU-  29 - HB3   ASN   35  10.19 +/- 0.78   5.673% *  1.4078% (0.92   0.08   0.02) =   0.119%  kept
          HG3   GLU-  29 - HB3   ASN   35  11.96 +/- 0.82   3.385% *  0.2232% (0.57   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HB3   ASN   35  25.28 +/- 3.95   0.427% *  0.3805% (0.97   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB3   ASN   35  32.85 +/- 4.87   0.206% *  0.3013% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.727, support = 5.4, residual support = 44.9:
          QB    GLU-  36 - HB2   ASN   35   5.16 +/- 0.38  23.281% * 65.3814% (0.99  1.00   5.40  51.65) =  65.639%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.47 +/- 0.71  36.300% * 12.0432% (0.18  1.00   5.60  32.54) =  18.852%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.66 +/- 0.46  18.246% * 18.8366% (0.29  1.00   5.37  32.54) =  14.821%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.51 +/- 0.94  13.722% *  0.9040% (0.18  1.00   0.42   0.02) =   0.535%  kept
          HB3   GLU-  29 - HB2   ASN   35  11.04 +/- 1.11   2.515% *  0.8720% (0.92  1.00   0.08   0.02) =   0.095%
        T HB3   GLU-  79 - HB2   ASN   28  19.26 +/- 6.66   0.972% *  0.7332% (0.30 10.00   0.02   0.02) =   0.031%
          HG3   GLU-  29 - HB2   ASN   35  12.72 +/- 1.17   1.630% *  0.1383% (0.57  1.00   0.02   0.02) =   0.010%
        T HB2   GLN   90 - HB2   ASN   28  27.04 +/- 7.36   0.376% *  0.5806% (0.24 10.00   0.02   0.02) =   0.009%
          QB    GLU-  36 - HB2   ASN   28  12.83 +/- 1.28   1.636% *  0.0753% (0.31  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HB2   ASN   35  25.53 +/- 3.63   0.228% *  0.2357% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB2   ASN   35  33.05 +/- 4.59   0.099% *  0.1866% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  16.19 +/- 2.28   0.995% *  0.0133% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.756, support = 1.89, residual support = 4.69:
          HA    LYS+  33 - HB3   ASN   35   4.10 +/- 0.30  44.615% * 56.3514% (0.92  1.00   1.81   5.56) =  61.764%  kept
          HA    GLN   32 - HB3   ASN   35   4.10 +/- 0.63  46.006% * 33.6040% (0.49  1.00   2.04   3.33) =  37.981%  kept
        T HA    VAL   18 - HB3   ASN   35  15.98 +/- 2.16   0.834% *  6.7446% (1.00 10.00   0.02   0.02) =   0.138%  kept
          HA    GLU-  29 - HB3   ASN   35   8.82 +/- 0.64   4.237% *  0.6700% (0.99  1.00   0.02   0.02) =   0.070%
          HA    VAL   70 - HB3   ASN   35  13.21 +/- 2.74   3.399% *  0.4373% (0.65  1.00   0.02   0.02) =   0.037%
          HB2   SER   82 - HB3   ASN   35  28.03 +/- 7.78   0.295% *  0.6745% (1.00  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - HB3   ASN   35  24.53 +/- 3.57   0.250% *  0.4373% (0.65  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - HB3   ASN   35  29.17 +/- 4.02   0.140% *  0.5166% (0.76  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  31.59 +/- 5.28   0.131% *  0.3556% (0.53  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB3   ASN   35  32.13 +/- 2.23   0.093% *  0.2086% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.7:
      O   HA    ASN   35 - HB3   ASN   35   3.04 +/- 0.03  82.850% * 99.4336% (0.90  10.0   3.94  54.66) =  99.985%  kept
          HA    LEU   40 - HB3   ASN   35  10.25 +/- 1.70   8.785% *  0.0717% (0.65   1.0   0.02   0.02) =   0.008%
          HA    LYS+  99 - HB3   ASN   35  10.74 +/- 2.84   4.539% *  0.0847% (0.76   1.0   0.02   0.02) =   0.005%
          HA    SER   13 - HB3   ASN   35  16.71 +/- 4.42   1.782% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  21.03 +/- 7.73   0.723% *  0.1087% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   ASN   35  15.02 +/- 2.76   0.899% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   ASN   35  28.48 +/- 2.45   0.117% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  26.17 +/- 3.55   0.193% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  28.76 +/- 3.21   0.112% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 54.7:
      O   HD21  ASN   35 - HB3   ASN   35   2.59 +/- 0.46  99.109% * 99.8105% (1.00  10.0   3.26  54.66) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.36 +/- 1.35   0.286% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.20 +/- 2.70   0.449% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  30.67 +/- 4.76   0.102% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  34.18 +/- 5.22   0.055% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 5.86, residual support = 51.2:
          HN    GLU-  36 - HB3   ASN   35   2.85 +/- 0.30  87.521% * 92.4645% (0.97   5.91  51.65) =  99.143%  kept
          HN    THR   39 - HB3   ASN   35   7.15 +/- 1.25  10.112% *  6.8653% (0.90   0.47   0.02) =   0.850%  kept
          HN    LYS+ 102 - HB3   ASN   35  13.41 +/- 3.50   1.410% *  0.2708% (0.84   0.02   0.02) =   0.005%
          HN    TRP   27 - HB3   ASN   35  14.10 +/- 0.52   0.776% *  0.1001% (0.31   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB3   ASN   35  27.11 +/- 5.68   0.182% *  0.2993% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 54.7:
      O   HN    ASN   35 - HB3   ASN   35   2.36 +/- 0.20  98.514% * 99.9102% (0.97  10.0   5.86  54.66) =  99.999%  kept
          HN    ALA   12 - HB3   ASN   35  19.46 +/- 5.42   1.486% *  0.0898% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.7:
      O   HD22  ASN   35 - HB3   ASN   35   3.57 +/- 0.38 100.000% *100.0000% (0.99  10.0   3.26  54.66) = 100.000%  kept
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 6.0, residual support = 51.2:
          HN    GLU-  36 - HB2   ASN   35   3.73 +/- 0.23  76.240% * 94.9226% (0.92   6.04  51.65) =  99.172%  kept
          HN    THR   39 - HB2   ASN   35   7.24 +/- 1.01  13.855% *  4.2264% (0.53   0.47   0.02) =   0.802%  kept
          HN    LYS+ 102 - HB2   ASN   35  13.38 +/- 4.01   3.785% *  0.3395% (1.00   0.02   0.02) =   0.018%
          HN    GLU-  36 - HB2   ASN   28  12.88 +/- 1.06   2.035% *  0.0977% (0.29   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   28  17.69 +/- 4.63   1.474% *  0.1056% (0.31   0.02   0.02) =   0.002%
          HN    THR   39 - HB2   ASN   28  14.61 +/- 1.17   1.326% *  0.0557% (0.16   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  22.63 +/- 7.47   0.986% *  0.0599% (0.18   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   35  27.21 +/- 5.42   0.299% *  0.1926% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.55, residual support = 86.2:
      O T HA    GLU-  36 - QB    GLU-  36   2.46 +/- 0.16  96.814% * 99.4140% (0.84  10.0 10.00   5.55  86.25) =  99.997%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.66 +/- 1.45   0.792% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  124 - QB    GLU-  36  19.37 +/- 7.37   0.566% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  18.82 +/- 3.29   0.330% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  26.56 +/- 3.88   0.096% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  22.94 +/- 8.30   0.684% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  21.67 +/- 4.40   0.394% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  25.59 +/- 7.53   0.166% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  27.84 +/- 2.52   0.074% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.58 +/- 4.02   0.083% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.6:
          HN    SER   37 - QB    GLU-  36   3.05 +/- 0.37  66.867% * 90.8880% (0.45   3.71  18.82) =  98.816%  kept
          HN    LYS+  33 - QB    GLU-  36   5.78 +/- 0.81  12.503% *  4.3642% (0.28   0.29   0.02) =   0.887%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.68 +/- 0.96  15.576% *  1.0498% (0.09   0.22   0.02) =   0.266%  kept
          HN    CYS   21 - QB    GLU-  36  16.02 +/- 1.92   0.561% *  1.0539% (0.97   0.02   0.02) =   0.010%
          HN    CYS   21 - HB3   GLU-  29  11.22 +/- 1.58   1.693% *  0.3265% (0.30   0.02   0.02) =   0.009%
          HN    SER   37 - HB3   GLU-  29  11.91 +/- 1.68   1.974% *  0.1517% (0.14   0.02   0.02) =   0.005%
          HN    ILE  119 - QB    GLU-  36  20.65 +/- 3.86   0.280% *  0.9472% (0.87   0.02   0.02) =   0.004%
          HN    ILE   89 - QB    GLU-  36  27.48 +/- 3.36   0.120% *  0.7064% (0.65   0.02   0.02) =   0.001%
          HN    ILE  119 - HB3   GLU-  29  22.71 +/- 4.69   0.271% *  0.2935% (0.27   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   GLU-  29  27.81 +/- 5.83   0.154% *  0.2188% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 7.29, residual support = 86.1:
      O   HN    GLU-  36 - QB    GLU-  36   2.13 +/- 0.18  91.528% * 96.4694% (0.69  10.0   7.30  86.25) =  99.827%  kept
          HN    THR   39 - QB    GLU-  36   6.02 +/- 0.48   4.690% *  3.2265% (0.28   1.0   1.65   1.05) =   0.171%  kept
          HN    LYS+ 102 - QB    GLU-  36  12.34 +/- 2.64   1.058% *  0.1218% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29  10.45 +/- 1.35   1.025% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  15.99 +/- 2.30   0.346% *  0.0350% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  17.37 +/- 3.89   0.257% *  0.0377% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.01 +/- 1.95   0.729% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  25.21 +/- 3.86   0.077% *  0.0433% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  18.99 +/- 3.07   0.189% *  0.0108% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  25.57 +/- 6.57   0.102% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.81, residual support = 86.2:
          HN    GLU-  36 - HG2   GLU-  36   3.72 +/- 0.32  95.968% * 98.3899% (0.28   4.81  86.25) =  99.969%  kept
          HN    LYS+ 102 - HG2   GLU-  36  14.85 +/- 3.22   3.023% *  0.6591% (0.45   0.02   0.02) =   0.021%
          HN    ASP- 105 - HG2   GLU-  36  19.15 +/- 2.82   1.009% *  0.9510% (0.65   0.02   0.02) =   0.010%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.682, support = 4.77, residual support = 85.2:
          HN    GLU-  36 - HG3   GLU-  36   3.84 +/- 0.64  79.603% * 90.6578% (0.69   4.81  86.25) =  98.796%  kept
          HN    THR   39 - HG3   GLU-  36   7.97 +/- 1.24  10.282% *  8.3973% (0.28   1.10   1.05) =   1.182%  kept
          HN    LYS+ 102 - HG3   GLU-  36  14.91 +/- 3.14   2.478% *  0.4756% (0.87   0.02   0.02) =   0.016%
          HN    GLU-  36 - QB    MET   11  18.31 +/- 4.76   3.051% *  0.0469% (0.09   0.02   0.02) =   0.002%
          HN    ASP- 105 - HG3   GLU-  36  19.00 +/- 2.69   0.831% *  0.1367% (0.25   0.02   0.02) =   0.002%
          HD1   TRP   87 - HG3   GLU-  36  29.44 +/- 4.64   0.249% *  0.1692% (0.31   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QB    MET   11  25.19 +/- 5.81   0.547% *  0.0593% (0.11   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  29.32 +/- 7.07   1.450% *  0.0211% (0.04   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  18.89 +/- 3.80   1.095% *  0.0190% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  25.31 +/- 4.44   0.413% *  0.0170% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.05, residual support = 86.2:
      O   HN    GLU-  36 - HA    GLU-  36   2.79 +/- 0.05  98.687% * 99.6076% (0.28  10.0   6.05  86.25) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  14.38 +/- 2.52   0.943% *  0.1606% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ASP- 105 - HA    GLU-  36  18.62 +/- 1.92   0.370% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB2   SER   37   3.06 +/- 0.32  98.595% * 99.7690% (0.98  10.0   3.80  29.68) =  99.999%  kept
          HN    ILE  119 - HB2   SER   37  20.45 +/- 3.58   0.509% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB2   SER   37  17.10 +/- 2.64   0.738% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  28.28 +/- 3.54   0.158% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.528, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - QB    SER   13  13.17 +/- 5.08  18.812% * 17.1942% (0.63   0.02   0.02) =  27.689%  kept
          HN    GLU-  29 - HB3   SER   37  13.92 +/- 1.76  10.629% * 22.4691% (0.82   0.02   0.02) =  20.444%  kept
          HN    GLN   30 - HB3   SER   37  11.92 +/- 1.69  16.845% * 12.9780% (0.47   0.02   0.02) =  18.713%  kept
          HN    GLN   30 - QB    SER   13  12.65 +/- 4.26  14.131% *  9.9312% (0.36   0.02   0.02) =  12.013%  kept
          HN    VAL   18 - QB    SER   13  10.40 +/- 2.23  23.153% *  4.8772% (0.18   0.02   0.02) =   9.666%  kept
          HN    VAL   18 - HB3   SER   37  16.11 +/- 4.58  11.593% *  6.3735% (0.23   0.02   0.02) =   6.325%  kept
          HN    ASP-  86 - QB    SER   13  28.16 +/- 6.51   3.327% * 11.3477% (0.41   0.02   0.02) =   3.232%  kept
          HN    ASP-  86 - HB3   SER   37  28.33 +/- 3.83   1.511% * 14.8290% (0.54   0.02   0.02) =   1.918%  kept
    Distance limit 3.95 A violated in 16 structures by 3.80 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.69, residual support = 218.1:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  78.821% * 91.7815% (0.92  10.0   6.69 220.94) =  98.582%  kept
          HN    SER   37 - HA    LYS+  38   4.08 +/- 0.15  12.804% *  8.1230% (0.25   1.0   6.55  21.57) =   1.417%  kept
          HN    LEU   31 - HA    LYS+  38   9.42 +/- 1.61   1.476% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    GLU- 100   8.74 +/- 2.11   1.924% *  0.0055% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   8.85 +/- 2.72   3.393% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.58 +/- 2.71   0.134% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  28.87 +/- 2.65   0.040% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.24 +/- 3.23   1.291% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.56 +/- 2.68   0.038% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.98 +/- 2.15   0.078% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.4, residual support = 29.2:
      O   HN    THR   39 - HA    LYS+  38   3.06 +/- 0.12  60.739% * 91.6604% (0.92  10.0   6.49  29.75) =  98.147%  kept
          HN    GLU-  36 - HA    LYS+  38   5.23 +/- 0.29  12.895% *  7.6358% (0.95   1.0   1.63   2.54) =   1.736%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.37 +/- 0.75  13.371% *  0.4775% (0.05   1.0   1.99   0.02) =   0.113%  kept
          HN    LYS+ 102 - HA    LYS+  38  12.20 +/- 2.80   2.003% *  0.0795% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   8.34 +/- 2.20   5.781% *  0.0055% (0.06   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100   9.58 +/- 2.67   3.672% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  15.23 +/- 1.67   0.557% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  25.49 +/- 4.40   0.155% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.29 +/- 3.84   0.625% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  23.86 +/- 5.03   0.202% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.55, residual support = 21.6:
          HN    SER   37 - HB2   LYS+  38   4.64 +/- 0.22  96.518% * 99.2452% (1.00   5.55  21.57) =  99.992%  kept
          HN    ILE  119 - HB2   LYS+  38  21.68 +/- 4.92   1.724% *  0.2869% (0.80   0.02   0.02) =   0.005%
          HN    CYS   21 - HB2   LYS+  38  19.61 +/- 1.48   1.348% *  0.1222% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   LYS+  38  30.30 +/- 3.61   0.409% *  0.3457% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.79 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.509, support = 5.32, residual support = 25.8:
          HN    THR   39 - HB2   LYS+  38   4.29 +/- 0.22  68.889% * 69.5269% (0.45   6.01  29.75) =  85.454%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.08 +/- 0.57  27.376% * 29.7156% (0.87   1.33   2.54) =  14.514%  kept
          HN    LYS+ 102 - HB2   LYS+  38  13.87 +/- 2.75   3.409% *  0.5062% (0.98   0.02   0.02) =   0.031%
          HD1   TRP   87 - HB2   LYS+  38  27.70 +/- 4.18   0.326% *  0.2514% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.74 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.753, support = 5.74, residual support = 198.7:
          HN    LYS+  38 - HG2   LYS+  38   3.32 +/- 0.26  61.141% * 71.6193% (0.80   5.85 220.94) =  88.861%  kept
          HN    SER   37 - HG2   LYS+  38   4.90 +/- 0.17  19.530% * 28.0633% (0.38   4.89  21.57) =  11.122%  kept
          HN    LYS+  38 - HG2   LYS+  99   9.26 +/- 2.97   6.722% *  0.0667% (0.22   0.02   0.02) =   0.009%
          HN    SER   37 - HG2   LYS+  99   9.50 +/- 3.46  12.157% *  0.0313% (0.10   0.02   0.02) =   0.008%
          HN    ARG+  54 - HG2   LYS+  38  30.67 +/- 2.92   0.090% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  29.73 +/- 3.76   0.098% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.89 +/- 2.65   0.118% *  0.0284% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  26.18 +/- 3.55   0.143% *  0.0186% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.739, support = 5.69, residual support = 192.1:
          HN    LYS+  38 - HG3   LYS+  38   4.23 +/- 0.23  53.633% * 69.4408% (0.80   5.75 220.94) =  85.545%  kept
          HN    SER   37 - HG3   LYS+  38   5.81 +/- 0.33  20.762% * 30.2303% (0.38   5.34  21.57) =  14.416%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.71 +/- 3.32  10.866% *  0.0961% (0.08   0.08   0.02) =   0.024%
          HN    SER   37 - HG3   LYS+  99   9.99 +/- 3.63  13.885% *  0.0450% (0.04   0.08   0.02) =   0.014%
          HN    ARG+  54 - HG3   LYS+  38  31.14 +/- 3.10   0.152% *  0.1029% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  30.39 +/- 4.02   0.181% *  0.0672% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.51 +/- 2.73   0.238% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  26.05 +/- 3.58   0.284% *  0.0070% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.92, residual support = 38.0:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.04  74.728% * 94.8904% (0.97  10.0   3.92  38.12) =  99.056%  kept
          HN    LYS+ 102 - HA    ILE  103   5.07 +/- 0.30  14.267% *  4.6874% (0.24   1.0   3.97  23.51) =   0.934%  kept
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.66   3.691% *  0.0882% (0.90   1.0   0.02   1.05) =   0.005%
          HN    LYS+ 102 - HA    THR   39  12.23 +/- 2.72   3.094% *  0.0714% (0.73   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    ILE  103  12.44 +/- 1.87   1.305% *  0.0313% (0.32   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    THR   39  15.63 +/- 1.37   0.518% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.92 +/- 1.84   0.641% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.44 +/- 4.02   0.187% *  0.0964% (0.98   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  18.70 +/- 5.06   0.561% *  0.0318% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.54 +/- 3.83   0.677% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.31 +/- 2.51   0.111% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  21.27 +/- 2.65   0.220% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.35, residual support = 24.8:
      O   HN    LEU   40 - HA    THR   39   2.24 +/- 0.06  93.374% * 99.8247% (0.57  10.0   4.35  24.80) =  99.996%  kept
          HN    GLY  101 - HA    ILE  103   6.54 +/- 0.65   4.209% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    THR   39  10.68 +/- 2.10   1.329% *  0.1069% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  11.19 +/- 1.97   1.088% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.88, residual support = 38.1:
      O   HN    THR   39 - HB    THR   39   2.85 +/- 0.54  88.170% * 99.6727% (0.97  10.0   3.88  38.12) =  99.989%  kept
          HN    GLU-  36 - HB    THR   39   7.77 +/- 1.13   4.981% *  0.0926% (0.90   1.0   0.02   1.05) =   0.005%
          HN    LYS+ 102 - HB    THR   39  12.31 +/- 2.66   5.737% *  0.0750% (0.73   1.0   0.02   0.02) =   0.005%
          HN    TRP   27 - HB    THR   39  15.66 +/- 2.19   0.721% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  23.85 +/- 4.26   0.230% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  26.78 +/- 2.92   0.162% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.24, residual support = 24.8:
          HN    LEU   40 - HB    THR   39   4.25 +/- 0.47  87.017% * 99.9158% (0.98   4.24  24.80) =  99.987%  kept
          HN    GLY  101 - HB    THR   39  10.55 +/- 2.36  12.983% *  0.0842% (0.18   0.02   0.02) =   0.013%
    Distance limit 3.94 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.514, support = 0.02, residual support = 0.02:
          HN    LEU   71 - QG2   THR   39   6.43 +/- 1.89  39.411% *  9.9077% (0.60   0.02   0.02) =  53.494%  kept
          HN    THR  118 - QG2   THR   39  16.13 +/- 2.56   4.949% *  8.1660% (0.49   0.02   0.02) =   5.536%  kept
          HN    THR  118 - QG2   THR   23  20.10 +/- 5.37   7.957% *  4.5823% (0.28   0.02   0.02) =   4.995%  kept
          HN    GLN  116 - QG2   THR   39  18.12 +/- 2.16   2.676% * 12.0477% (0.72   0.02   0.02) =   4.417%  kept
          HN    GLU- 114 - QB    ALA   91  14.59 +/- 1.90   4.827% *  6.6763% (0.40   0.02   0.02) =   4.415%  kept
          HN    GLU- 114 - QG2   THR   39  20.02 +/- 1.74   1.894% * 14.1381% (0.85   0.02   0.02) =   3.668%  kept
          HN    LEU   71 - QG2   THR   23  15.57 +/- 1.71   4.814% *  5.5597% (0.33   0.02   0.02) =   3.666%  kept
          HN    GLN  116 - QG2   THR   23  20.87 +/- 5.04   3.803% *  6.7605% (0.41   0.02   0.02) =   3.523%  kept
          HN    PHE   60 - QB    ALA   91  13.17 +/- 2.28   9.922% *  2.3233% (0.14   0.02   0.02) =   3.158%  kept
          HN    GLN  116 - QB    ALA   91  15.41 +/- 1.37   3.897% *  5.6891% (0.34   0.02   0.02) =   3.037%  kept
          HN    GLU- 114 - QG2   THR   23  22.37 +/- 5.02   2.746% *  7.9335% (0.48   0.02   0.02) =   2.984%  kept
          HN    PHE   60 - QG2   THR   39  16.01 +/- 1.41   3.002% *  4.9200% (0.30   0.02   0.02) =   2.023%  kept
          HN    LEU   71 - QB    ALA   91  18.34 +/- 2.32   2.992% *  4.6786% (0.28   0.02   0.02) =   1.918%  kept
          HN    THR  118 - QB    ALA   91  16.44 +/- 1.06   3.168% *  3.8562% (0.23   0.02   0.02) =   1.674%  kept
          HN    PHE   60 - QG2   THR   23  17.78 +/- 3.72   3.942% *  2.7609% (0.17   0.02   0.02) =   1.491%  kept
    Distance limit 3.49 A violated in 15 structures by 2.65 A, eliminated.
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 4.18, residual support = 24.8:
          HN    LEU   40 - QG2   THR   39   3.54 +/- 0.65  98.047% * 99.5079% (0.66   4.18  24.80) =  99.995%  kept
          HN    LEU   40 - QG2   THR   23  16.56 +/- 1.48   1.217% *  0.2672% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  19.99 +/- 1.96   0.736% *  0.2249% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.589, support = 3.62, residual support = 16.2:
      O   HN    ALA   91 - QB    ALA   91   2.36 +/- 0.18  48.608% * 88.1879% (0.61  10.0   3.61  14.42) =  92.314%  kept
          HN    THR   39 - QG2   THR   39   2.85 +/- 0.60  34.275% * 10.2603% (0.38   1.0   3.73  38.12) =   7.573%  kept
          HN    TRP   27 - QG2   THR   23   4.98 +/- 0.87   7.040% *  0.6843% (0.10   1.0   0.97   1.19) =   0.104%  kept
          HD1   TRP   87 - QB    ALA   91   8.84 +/- 0.95   1.049% *  0.1111% (0.76   1.0   0.02   0.02) =   0.003%
          HN    GLU-  36 - QG2   THR   39   6.78 +/- 1.15   3.021% *  0.0258% (0.18   1.0   0.02   1.05) =   0.002%
          HN    TRP   27 - QB    ALA   91  18.70 +/- 5.18   0.560% *  0.1342% (0.92   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - QG2   THR   39  13.17 +/- 2.33   0.489% *  0.0634% (0.44   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA   91  13.12 +/- 2.64   0.392% *  0.0765% (0.53   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   91  10.29 +/- 1.69   0.722% *  0.0363% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QG2   THR   39   9.82 +/- 2.50   1.583% *  0.0153% (0.11   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - QB    ALA   91  22.39 +/- 2.26   0.074% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  19.40 +/- 3.48   0.139% *  0.0525% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  16.05 +/- 1.50   0.182% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.72 +/- 3.00   0.063% *  0.0546% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.75 +/- 2.27   0.076% *  0.0416% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.92 +/- 2.21   0.084% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  19.85 +/- 4.97   0.154% *  0.0171% (0.12   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  19.18 +/- 4.86   0.181% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  19.95 +/- 4.73   0.223% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.83 +/- 1.39   0.155% *  0.0122% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  17.26 +/- 3.63   0.184% *  0.0080% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.30 +/- 4.65   0.428% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.22 +/- 1.19   0.168% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  21.12 +/- 4.67   0.148% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.866, support = 3.65, residual support = 14.6:
          HN    MET   92 - QB    ALA   91   2.98 +/- 0.64  72.232% * 97.0716% (0.87   3.66  14.60) =  99.859%  kept
          HN    THR   46 - QB    ALA   91   6.74 +/- 1.65  10.897% *  0.6001% (0.98   0.02   0.02) =   0.093%
          HN    LYS+  74 - QB    ALA   91  13.50 +/- 2.22   2.471% *  0.5311% (0.87   0.02   0.02) =   0.019%
          HN    LYS+  74 - QG2   THR   39  11.65 +/- 2.86   3.140% *  0.2508% (0.41   0.02   0.02) =   0.011%
          HN    LYS+ 112 - QB    ALA   91  12.83 +/- 2.08   2.229% *  0.2088% (0.34   0.02   0.02) =   0.007%
          HN    LYS+  74 - QG2   THR   23  11.05 +/- 4.11   3.475% *  0.0558% (0.09   0.02   0.02) =   0.003%
          HN    THR   46 - QG2   THR   39  16.66 +/- 1.48   0.540% *  0.2834% (0.46   0.02   0.02) =   0.002%
          HN    MET   11 - QG2   THR   39  19.20 +/- 4.83   0.773% *  0.1521% (0.25   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   39  20.22 +/- 1.91   0.391% *  0.2508% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  28.22 +/- 6.26   0.244% *  0.3221% (0.53   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  16.54 +/- 3.70   0.872% *  0.0631% (0.10   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   23  19.26 +/- 4.41   0.813% *  0.0558% (0.09   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  16.91 +/- 5.78   1.295% *  0.0339% (0.06   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  20.97 +/- 1.95   0.280% *  0.0986% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  22.37 +/- 4.62   0.347% *  0.0220% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.639, support = 5.43, residual support = 88.5:
          HA    LEU   40 - QD2   LEU   40   2.47 +/- 0.60  66.291% * 59.6289% (0.61   6.01 104.57) =  83.490%  kept
          HA    LYS+  99 - QD2   LEU   40   5.23 +/- 2.51  22.957% * 33.5072% (0.80   2.56   7.33) =  16.247%  kept
          HA    LEU  123 - QD2   LEU   40  12.03 +/- 5.60   1.817% *  5.6897% (0.99   0.35   0.02) =   0.218%  kept
          HA    ASN   35 - QD2   LEU   40   7.74 +/- 1.52   5.171% *  0.3021% (0.92   0.02   0.02) =   0.033%
          HA    GLU-  15 - QD2   LEU   40  12.18 +/- 3.40   1.516% *  0.1345% (0.41   0.02   0.02) =   0.004%
          HA    SER   13 - QD2   LEU   40  14.95 +/- 3.21   1.014% *  0.1345% (0.41   0.02   0.02) =   0.003%
          HA    ILE   56 - QD2   LEU   40  16.13 +/- 1.43   0.356% *  0.3096% (0.95   0.02   0.02) =   0.002%
          HA    PRO   58 - QD2   LEU   40  14.70 +/- 1.53   0.545% *  0.1467% (0.45   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD2   LEU   40  16.55 +/- 2.31   0.332% *  0.1467% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.982, support = 4.57, residual support = 102.8:
          HA    LEU   40 - QD1   LEU   40   3.55 +/- 0.55  46.793% * 91.0306% (0.99   4.65 104.57) =  98.250%  kept
          HA    LEU  123 - QD1   LEU   40  11.38 +/- 5.85   9.768% *  4.2545% (0.61   0.36   0.02) =   0.959%  kept
          HA    LYS+  99 - QD1   LEU   40   6.96 +/- 2.49  13.203% *  1.8331% (0.31   0.30   7.33) =   0.558%  kept
          HA    SER   37 - QD1   LEU   40   9.57 +/- 1.46   4.138% *  1.1693% (0.31   0.19   0.75) =   0.112%  kept
          HA    GLN   17 - QD1   LEU   40  11.02 +/- 4.43  11.113% *  0.1219% (0.31   0.02   0.02) =   0.031%
          HA    ASN   35 - QD1   LEU   40   8.64 +/- 1.64   6.237% *  0.1771% (0.45   0.02   0.02) =   0.025%
          HA    GLU-  15 - QD1   LEU   40  11.64 +/- 3.41   3.019% *  0.3542% (0.90   0.02   0.02) =   0.025%
          HA    SER   13 - QD1   LEU   40  14.38 +/- 3.18   2.580% *  0.3542% (0.90   0.02   0.02) =   0.021%
          HA    PRO   58 - QD1   LEU   40  13.45 +/- 2.20   1.495% *  0.3646% (0.92   0.02   0.02) =   0.013%
          HA    ILE   56 - QD1   LEU   40  15.11 +/- 1.77   0.881% *  0.1923% (0.49   0.02   0.02) =   0.004%
          HA    THR   46 - QD1   LEU   40  14.54 +/- 1.25   0.772% *  0.1482% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.679, support = 0.501, residual support = 2.21:
        T HB3   HIS  122 - QD1   LEU   40   8.35 +/- 5.84  38.374% * 95.9692% (0.69 10.00   0.50   2.26) =  97.797%  kept
          QE    LYS+ 121 - QD1   LEU   40   9.50 +/- 3.63  23.058% *  3.3522% (0.34  1.00   0.36   0.02) =   2.053%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.71 +/- 1.95   5.141% *  0.4963% (0.90  1.00   0.02   0.02) =   0.068%
          QE    LYS+  74 - QD1   LEU   40  10.20 +/- 1.44  23.166% *  0.0969% (0.18  1.00   0.02   0.02) =   0.060%
          QB    CYS   50 - QD1   LEU   40  16.02 +/- 1.96  10.261% *  0.0854% (0.15  1.00   0.02   0.02) =   0.023%
    Distance limit 3.85 A violated in 10 structures by 3.44 A, kept.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.913, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   9.01 +/- 3.04  35.556% * 27.6510% (1.00   0.02   0.02) =  39.211%  kept
          QD    PHE   59 - QD1   LEU   40   9.03 +/- 2.43  35.709% * 23.0961% (0.84   0.02   0.02) =  32.893%  kept
          HD1   TRP   27 - QD1   LEU   40  11.67 +/- 2.61  17.053% * 23.0961% (0.84   0.02   0.02) =  15.709%  kept
          HH2   TRP   49 - QD1   LEU   40  17.65 +/- 4.69  11.682% * 26.1568% (0.95   0.02   0.02) =  12.187%  kept
    Distance limit 3.89 A violated in 16 structures by 2.99 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   9.09 +/- 2.33  37.849% * 27.6510% (1.00   0.02   0.02) =  41.576%  kept
          QD    PHE   59 - QD2   LEU   40   9.92 +/- 1.79  32.195% * 23.0961% (0.84   0.02   0.02) =  29.539%  kept
          HD1   TRP   27 - QD2   LEU   40  11.85 +/- 2.12  18.442% * 23.0961% (0.84   0.02   0.02) =  16.921%  kept
          HH2   TRP   49 - QD2   LEU   40  18.38 +/- 4.58  11.513% * 26.1568% (0.95   0.02   0.02) =  11.963%  kept
    Distance limit 3.69 A violated in 19 structures by 3.88 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.71, residual support = 21.0:
          HN    VAL   41 - QD2   LEU   40   3.03 +/- 0.88 100.000% *100.0000% (0.73   4.71  21.05) = 100.000%  kept
    Distance limit 3.20 A violated in 1 structures by 0.29 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.74, residual support = 9.25:
          HN    LEU   98 - QD2   LEU   40   4.72 +/- 2.27 100.000% *100.0000% (0.97   4.74   9.25) = 100.000%  kept
    Distance limit 3.65 A violated in 6 structures by 1.37 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.81, residual support = 104.6:
      O   HN    LEU   40 - HB3   LEU   40   2.79 +/- 0.51  96.702% * 99.9683% (0.98  10.0   4.81 104.57) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40  10.94 +/- 2.00   2.329% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  17.72 +/- 2.18   0.661% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.60 +/- 1.34   0.308% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.95, residual support = 104.6:
      O   HN    LEU   40 - HB2   LEU   40   2.76 +/- 0.43  96.773% * 99.9908% (0.76  10.0   4.95 104.57) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67  10.13 +/- 1.62   3.227% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 36.1:
          QG2   VAL   70 - HB2   LEU   40   4.07 +/- 1.02  55.883% * 99.9538% (0.80   3.99  36.10) =  99.964%  kept
          QG2   VAL   70 - HB2   LEU   67   4.76 +/- 1.43  44.117% *  0.0462% (0.07   0.02   0.26) =   0.036%
    Distance limit 3.64 A violated in 4 structures by 0.66 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 36.1:
        T QG2   VAL   70 - HB3   LEU   40   3.57 +/- 1.06  83.991% * 99.8828% (0.98 10.00   3.99  36.10) =  99.978%  kept
        T QG2   VAL   70 - HB3   LEU  115  10.55 +/- 2.07  16.009% *  0.1172% (0.12 10.00   0.02   0.02) =   0.022%
    Distance limit 3.78 A violated in 1 structures by 0.33 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.206, support = 5.11, residual support = 98.4:
      O T HA    LEU   40 - HG    LEU   40   3.16 +/- 0.46  40.704% * 71.7238% (0.18  10.0 10.00   5.41 104.57) =  93.876%  kept
          HA    ASP- 113 - HG    LEU  115   6.34 +/- 1.21   7.674% * 10.9138% (0.53   1.0  1.00   1.00   0.02) =   2.693%  kept
          HA    LYS+  99 - HG    LEU   40   7.52 +/- 2.66   7.170% *  7.6605% (0.98   1.0  1.00   0.38   7.33) =   1.766%  kept
        T HA    ASN   35 - HG    LEU   40   9.41 +/- 1.86   8.713% *  3.6729% (0.90   1.0 10.00   0.02   0.02) =   1.029%  kept
          HA    PHE   59 - HG    LEU  115   6.37 +/- 1.47  12.065% *  1.3042% (0.20   1.0  1.00   0.32  28.10) =   0.506%  kept
          HA    ILE   56 - HG    LEU  115   7.12 +/- 1.92   9.976% *  0.2057% (0.50   1.0  1.00   0.02   0.02) =   0.066%
          HA    LEU  123 - HG    LEU   40  14.03 +/- 6.48   1.560% *  0.3130% (0.76   1.0  1.00   0.02   0.02) =   0.016%
        T HA    ASN   35 - HG    LEU  115  23.37 +/- 3.45   0.162% *  2.1265% (0.52   1.0 10.00   0.02   0.02) =   0.011%
        T HA    LEU   40 - HG    LEU  115  16.83 +/- 3.04   0.528% *  0.4153% (0.10   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP- 113 - HG    LEU   73  19.50 +/- 6.72   1.691% *  0.0705% (0.17   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   73  16.54 +/- 5.14   1.790% *  0.0662% (0.16   1.0  1.00   0.02   0.02) =   0.004%
          HA    PHE   59 - HG    LEU   40  14.09 +/- 2.17   0.827% *  0.1397% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG    LEU  115  13.74 +/- 1.30   0.598% *  0.1812% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   40  19.82 +/- 2.68   0.242% *  0.3781% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HG    LEU   40  18.99 +/- 1.53   0.240% *  0.3553% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HG    LEU  115  18.18 +/- 2.22   0.333% *  0.2324% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU   73  14.17 +/- 2.72   0.911% *  0.0748% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   59 - HG    LEU   73  14.25 +/- 3.93   2.052% *  0.0260% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU   73  15.14 +/- 2.86   0.529% *  0.0685% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  18.85 +/- 4.64   0.438% *  0.0584% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  11.39 +/- 2.38   1.797% *  0.0134% (0.03   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.96, support = 6.43, residual support = 35.2:
        T QG2   VAL   70 - HG    LEU   40   3.28 +/- 1.05  78.444% * 83.8767% (0.98 10.00   6.53  36.10) =  97.534%  kept
        T QG2   VAL   70 - HG    LEU   73   7.92 +/- 0.92  10.288% * 15.6376% (0.18 10.00   2.35   0.87) =   2.385%  kept
        T QG2   VAL   70 - HG    LEU  115  10.77 +/- 2.67  11.268% *  0.4856% (0.57 10.00   0.02   0.02) =   0.081%
    Distance limit 3.53 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.18, residual support = 36.1:
          QG2   VAL   70 - QD1   LEU   40   2.46 +/- 0.81 100.000% *100.0000% (0.80   4.18  36.10) = 100.000%  kept
    Distance limit 2.98 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.39, residual support = 36.1:
          QG2   VAL   70 - QD2   LEU   40   3.47 +/- 1.10 100.000% *100.0000% (0.53   4.39  36.10) = 100.000%  kept
    Distance limit 3.30 A violated in 3 structures by 0.54 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40   9.64 +/- 1.83 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.67 A violated in 20 structures by 6.97 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.741, support = 4.85, residual support = 104.5:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  64.683% * 41.2535% (0.65  10.0 10.00   4.32 104.57) =  62.355%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.93 +/- 0.39  28.137% * 57.1914% (0.90  10.0  1.00   5.72 104.57) =  37.604%  kept
        T HG    LEU   73 - QD2   LEU   40   9.26 +/- 2.15   2.049% *  0.5702% (0.20   1.0 10.00   0.09   0.02) =   0.027%
        T HG    LEU  115 - QD2   LEU   40  12.93 +/- 2.52   0.427% *  0.6363% (1.00   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LYS+  74 - QD2   LEU   40  11.40 +/- 2.44   0.726% *  0.1773% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QD2   LEU   40   8.48 +/- 1.77   1.565% *  0.0487% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD2   LEU   40  10.86 +/- 3.36   0.876% *  0.0636% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD2   LEU   40  10.79 +/- 2.65   1.155% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  12.50 +/- 2.01   0.382% *  0.0413% (0.65   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 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.261, support = 1.95, residual support = 7.3:
        T HB2   LYS+  99 - QD2   LEU   40   5.69 +/- 3.10  40.981% * 58.5499% (0.28 10.00   2.07   7.33) =  68.093%  kept
        T HB3   LYS+  99 - QD2   LEU   40   6.22 +/- 2.62  27.421% * 40.5238% (0.22 10.00   1.73   7.33) =  31.535%  kept
          HB    VAL   43 - QD2   LEU   40   8.79 +/- 1.73  17.664% *  0.7012% (0.38  1.00   0.18   0.02) =   0.351%  kept
          QG1   ILE   56 - QD2   LEU   40  12.77 +/- 1.38   8.691% *  0.0325% (0.15  1.00   0.02   0.02) =   0.008%
          HB    ILE   89 - QD2   LEU   40  18.54 +/- 2.94   2.029% *  0.1277% (0.61  1.00   0.02   0.02) =   0.007%
          QD    LYS+  81 - QD2   LEU   40  19.43 +/- 2.79   3.213% *  0.0650% (0.31  1.00   0.02   0.02) =   0.006%
    Distance limit 3.12 A violated in 6 structures by 1.83 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.311, support = 1.14, residual support = 2.22:
          HB2   HIS  122 - QD2   LEU   40   8.89 +/- 5.66  45.869% * 93.4038% (0.31   1.16   2.26) =  97.891%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.08 +/- 2.03  11.926% *  2.9466% (0.57   0.02   0.02) =   0.803%  kept
          HA    LEU   63 - QD2   LEU   40   9.50 +/- 1.27  31.973% *  0.9115% (0.18   0.02   0.02) =   0.666%  kept
          HB2   HIS   22 - QD2   LEU   40  16.39 +/- 2.48  10.232% *  2.7382% (0.53   0.02   0.02) =   0.640%  kept
    Distance limit 3.65 A violated in 14 structures by 3.07 A, kept.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 2.29, residual support = 6.37:
          QE    LYS+  99 - QD2   LEU   40   5.28 +/- 3.38  49.918% * 77.1402% (0.69   2.60   7.33) =  84.846%  kept
          QE    LYS+  38 - QD2   LEU   40   7.18 +/- 2.21  30.498% * 21.9966% (0.92   0.55   0.99) =  14.782%  kept
          QE    LYS+ 102 - QD2   LEU   40   9.81 +/- 3.14  19.584% *  0.8632% (1.00   0.02   0.02) =   0.372%  kept
    Distance limit 4.08 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 1.23, residual support = 1.53:
        T HB3   PHE   97 - QD2   LEU   40   6.82 +/- 2.24  40.236% * 92.3407% (0.84 10.00   1.25   1.60) =  95.476%  kept
          HB2   GLU- 100 - QD2   LEU   40   8.50 +/- 2.40  23.831% *  7.2522% (0.99  1.00   0.83   0.02) =   4.441%  kept
          HB2   GLN  116 - QD2   LEU   40  14.80 +/- 2.53   7.145% *  0.1668% (0.95  1.00   0.02   0.02) =   0.031%
          QG    GLN   32 - QD2   LEU   40  10.25 +/- 1.68  18.543% *  0.0601% (0.34  1.00   0.02   0.02) =   0.029%
          QG    GLU-  79 - QD2   LEU   40  15.57 +/- 2.04   4.820% *  0.1140% (0.65  1.00   0.02   0.02) =   0.014%
          HB2   PRO   58 - QD2   LEU   40  15.36 +/- 1.36   5.425% *  0.0662% (0.38  1.00   0.02   0.02) =   0.009%
    Distance limit 4.35 A violated in 9 structures by 1.81 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 104.5:
      O T HB2   LEU   40 - QD1   LEU   40   2.59 +/- 0.36  81.338% * 99.2435% (0.84  10.0 10.00   4.44 104.57) =  99.945%  kept
        T HB2   LEU   67 - QD1   LEU   40   7.05 +/- 1.47   7.641% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.046%
          HB3   MET   96 - QD1   LEU   40   8.93 +/- 2.02   5.979% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   18 - QD1   LEU   40  10.87 +/- 4.29   3.682% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ARG+  54 - QD1   LEU   40  18.62 +/- 2.93   0.298% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  13.91 +/- 2.61   1.061% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 5.43, residual support = 104.4:
      O   HB2   LEU   40 - QD2   LEU   40   2.60 +/- 0.39  90.902% * 96.6350% (0.34  10.0  1.00   5.44 104.57) =  99.867%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.26 +/- 1.61   4.156% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.120%  kept
          HB    VAL   18 - QD2   LEU   40  11.61 +/- 4.06   2.994% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.010%
          HB2   LEU  115 - QD2   LEU   40  13.29 +/- 2.13   1.094% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD2   LEU   40  19.69 +/- 2.72   0.357% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QD2   LEU   40  16.41 +/- 1.58   0.496% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.774, support = 4.0, residual support = 104.5:
      O T HB3   LEU   40 - QD1   LEU   40   2.38 +/- 0.32  40.011% * 57.4671% (0.90  10.0 10.00   3.61 104.57) =  51.055%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  53.142% * 41.4524% (0.65  10.0  1.00   4.42 104.57) =  48.914%  kept
        T HG    LEU   67 - QD1   LEU   40   7.36 +/- 1.71   2.164% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.024%
        T HB3   LEU  115 - QD1   LEU   40  11.88 +/- 2.48   0.453% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU   40  10.44 +/- 3.60   1.049% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  12.19 +/- 3.04   0.540% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   8.66 +/- 2.12   1.426% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  10.55 +/- 2.29   0.764% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  12.35 +/- 2.58   0.452% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 4.43, residual support = 101.3:
      O T QD1   LEU   40 - HB2   LEU   40   2.59 +/- 0.36  48.246% * 92.1745% (1.00  10.0 10.00   4.44 104.57) =  92.902%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.71 +/- 0.46  44.513% *  7.6201% (0.08  10.0  1.00   4.26  59.16) =   7.086%  kept
        T QD1   LEU   40 - HB2   LEU   67   7.05 +/- 1.47   4.468% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   67 - HB2   LEU   40   8.45 +/- 1.99   2.392% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - HB2   LEU   40  17.22 +/- 1.47   0.181% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.53 +/- 2.15   0.200% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.61, residual support = 104.6:
      O T QD1   LEU   40 - HB3   LEU   40   2.38 +/- 0.32  90.095% * 99.7412% (1.00  10.0 10.00   3.61 104.57) =  99.994%  kept
          QD2   LEU   67 - HB3   LEU   40   8.08 +/- 1.74   4.224% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   40 - HB3   LEU  115  11.88 +/- 2.48   1.148% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB3   LEU  115  12.89 +/- 2.21   2.244% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.02 +/- 1.42   0.281% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.97 +/- 1.13   2.008% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.86, support = 4.3, residual support = 103.5:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  48.391% * 87.8834% (0.87  10.0 10.00   4.32 104.57) =  98.980%  kept
          QD1   ILE  119 - HG    LEU  115   4.65 +/- 1.60  15.520% *  1.1931% (0.10   1.0  1.00   2.32   7.75) =   0.431%  kept
          QD2   LEU   71 - HG    LEU   40   5.06 +/- 1.67  11.871% *  1.3116% (0.18   1.0  1.00   1.48   1.96) =   0.362%  kept
        T QD1   LEU   67 - HG    LEU   73   8.93 +/- 1.31   0.757% *  6.3016% (0.16   1.0 10.00   0.80   0.02) =   0.111%  kept
        T QD1   LEU   67 - HG    LEU  115  11.95 +/- 2.93   5.029% *  0.4900% (0.48   1.0 10.00   0.02   0.02) =   0.057%
        T QD1   LEU   67 - HG    LEU   40   7.47 +/- 1.42   1.409% *  0.8463% (0.84   1.0 10.00   0.02   0.02) =   0.028%
        T HG3   LYS+  74 - HG    LEU  115  15.33 +/- 3.93   1.015% *  0.3558% (0.35   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   40 - HG    LEU   73   9.26 +/- 2.15   1.629% *  0.1638% (0.16   1.0 10.00   0.02   0.02) =   0.006%
          QG2   ILE  103 - HG    LEU   40   9.59 +/- 2.62   3.244% *  0.0736% (0.73   1.0  1.00   0.02   0.02) =   0.006%
        T QD2   LEU   40 - HG    LEU  115  12.93 +/- 2.52   0.304% *  0.5088% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  74 - HG    LEU   40  14.29 +/- 2.58   0.232% *  0.6145% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HG    LEU   40  11.92 +/- 1.63   0.388% *  0.0879% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG    LEU  115  13.24 +/- 4.56   2.500% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.72 +/- 1.29   1.301% *  0.0164% (0.16   1.0  1.00   0.02   1.67) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.62 +/- 3.35   0.763% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  13.16 +/- 1.91   0.258% *  0.0509% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.42 +/- 1.56   0.306% *  0.0426% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.65 +/- 0.78   0.746% *  0.0115% (0.11   1.0  1.00   0.02  41.69) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.47 +/- 2.93   0.612% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.84 +/- 1.97   2.491% *  0.0033% (0.03   1.0  1.00   0.02   1.65) =   0.000%
          QD1   ILE  119 - HG    LEU   73  12.60 +/- 4.22   1.236% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.862, support = 3.86, residual support = 73.9:
      O T QG2   VAL   41 - QG1   VAL   41   2.05 +/- 0.06  43.312% * 93.4246% (0.87  10.0 10.00   3.93  75.23) =  97.443%  kept
          QD2   LEU   98 - QG1   VAL   41   3.58 +/- 1.66  23.661% *  4.1605% (0.69   1.0  1.00   1.12  27.01) =   2.371%  kept
        T QG2   VAL   41 - QG2   VAL   18  10.53 +/- 4.13   4.543% *  0.7140% (0.66   1.0 10.00   0.02   0.02) =   0.078%
        T QD1   LEU   73 - QG2   VAL   18   8.59 +/- 5.09   9.301% *  0.2540% (0.24   1.0 10.00   0.02   0.58) =   0.057%
        T QD1   LEU   73 - QG1   VAL   41   7.75 +/- 2.31   3.055% *  0.3324% (0.31   1.0 10.00   0.02   0.02) =   0.024%
        T QD2   LEU   98 - QD2   LEU  104   5.25 +/- 1.35   6.252% *  0.0397% (0.04   1.0 10.00   0.02  11.38) =   0.006%
        T QD1   LEU   63 - QG2   VAL   18   9.06 +/- 3.72   0.944% *  0.2540% (0.24   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   63 - QG1   VAL   41   9.30 +/- 1.41   0.540% *  0.3324% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QG2   VAL   18   8.31 +/- 3.96   1.674% *  0.0738% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   VAL   41 - QD2   LEU  104   6.81 +/- 1.27   1.947% *  0.0502% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QG1   VAL   41   9.15 +/- 1.83   0.674% *  0.0966% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   98 - QG2   VAL   18  12.42 +/- 3.69   0.940% *  0.0565% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG1   VAL   41  13.57 +/- 4.34   0.387% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG2   VAL   18  14.85 +/- 7.06   0.434% *  0.0565% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QD2   LEU  104  10.26 +/- 2.28   0.690% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.52 +/- 4.89   0.231% *  0.0397% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.24 +/- 2.48   0.510% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104  10.55 +/- 2.39   0.905% *  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 = 0.241, support = 1.2, residual support = 5.21:
          QB    ALA   34 - QG2   VAL   41   5.63 +/- 2.47  42.970% * 45.8127% (0.18   1.48   6.90) =  75.322%  kept
          HG2   LYS+  99 - QG2   VAL   41   8.40 +/- 1.26  21.576% * 13.5928% (0.20   0.39   0.02) =  11.222%  kept
          QB    ALA   88 - QG2   VAL   41  15.19 +/- 3.01   8.317% * 34.6953% (0.61   0.32   0.02) =  11.041%  kept
          QG2   THR   77 - QG2   VAL   41  10.25 +/- 1.66  14.514% *  3.3369% (0.95   0.02   0.02) =   1.853%  kept
          HG2   LYS+  38 - QG2   VAL   41  10.10 +/- 1.26   8.805% *  0.9808% (0.28   0.02   0.02) =   0.330%  kept
          QG2   THR   23 - QG2   VAL   41  13.00 +/- 2.89   3.819% *  1.5815% (0.45   0.02   0.02) =   0.231%  kept
    Distance limit 3.29 A violated in 10 structures by 1.85 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.71, residual support = 26.8:
        T QB    LEU   98 - QG2   VAL   41   3.74 +/- 1.36  41.910% * 94.3793% (0.34 10.00   2.73  27.01) =  99.140%  kept
          HG    LEU   73 - QG2   VAL   41   8.48 +/- 3.20  18.906% *  0.9936% (0.31  1.00   0.23   0.02) =   0.471%  kept
        T HB2   LEU   80 - QG2   VAL   41  13.67 +/- 4.09   2.393% *  2.2155% (0.80 10.00   0.02   0.02) =   0.133%  kept
          HB3   LYS+  74 - QG2   VAL   41  10.52 +/- 2.61   4.724% *  0.7582% (0.61  1.00   0.09   0.02) =   0.090%
          HG12  ILE   19 - QG2   VAL   41  11.22 +/- 4.75   9.856% *  0.2761% (1.00  1.00   0.02   0.02) =   0.068%
          HG    LEU   80 - QG2   VAL   41  13.87 +/- 5.25   3.792% *  0.2670% (0.97  1.00   0.02   0.02) =   0.025%
          HD3   LYS+ 121 - QG2   VAL   41  12.67 +/- 4.70   5.198% *  0.1790% (0.65  1.00   0.02   0.02) =   0.023%
          HB3   LEU   67 - QG2   VAL   41  10.10 +/- 1.82   4.512% *  0.1901% (0.69  1.00   0.02   0.02) =   0.021%
          QB    ALA   61 - QG2   VAL   41  12.32 +/- 1.00   1.477% *  0.2311% (0.84  1.00   0.02   0.02) =   0.009%
          QG    LYS+  66 - QG2   VAL   41  13.07 +/- 1.46   2.294% *  0.1347% (0.49  1.00   0.02   0.02) =   0.008%
          QB    ALA  110 - QG2   VAL   41  14.01 +/- 1.23   0.866% *  0.2712% (0.98  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - QG2   VAL   41   9.75 +/- 1.48   2.413% *  0.0616% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  15.94 +/- 4.77   1.660% *  0.0427% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.21 A violated in 2 structures by 0.36 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  10.63 +/- 1.33 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.08 A violated in 20 structures by 7.54 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.64, residual support = 75.2:
      O   HN    VAL   41 - HB    VAL   41   3.05 +/- 0.41 100.000% *100.0000% (0.47  10.0   4.64  75.23) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.951, support = 2.76, residual support = 26.5:
          HN    LEU   98 - QG1   VAL   41   4.73 +/- 1.43  46.415% * 96.6007% (0.98   2.80  27.01) =  96.861%  kept
          HN    LEU   98 - QD2   LEU  104   4.62 +/- 1.44  49.939% *  2.8715% (0.05   1.55  11.38) =   3.098%  kept
          HN    LEU   98 - QG2   VAL   18  13.29 +/- 3.14   3.646% *  0.5278% (0.75   0.02   0.02) =   0.042%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.542, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.24 +/- 1.62  34.311% * 34.1212% (0.66   0.02   0.02) =  48.723%  kept
          HN    LYS+  66 - HB    VAL   41  15.31 +/- 1.35  17.236% * 29.5320% (0.57   0.02   0.02) =  21.184%  kept
          QE    PHE   59 - HB    VAL   41  12.10 +/- 2.62  37.107% * 12.0603% (0.23   0.02   0.02) =  18.625%  kept
          HN    LYS+  81 - HB    VAL   41  20.16 +/- 3.68  11.346% * 24.2865% (0.47   0.02   0.02) =  11.468%  kept
    Distance limit 3.78 A violated in 20 structures by 6.32 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 27.4:
      O   HN    VAL   42 - HA    VAL   41   2.23 +/- 0.04  84.169% * 98.7065% (0.98  10.0   5.25  27.48) =  99.807%  kept
          HN    LEU   73 - HA    VAL   41   7.40 +/- 2.22  13.225% *  1.2013% (0.98   1.0   0.24   0.02) =   0.191%  kept
          HN    ILE   19 - HA    VAL   41  12.28 +/- 5.59   2.160% *  0.0611% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  13.24 +/- 1.19   0.446% *  0.0311% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.04, residual support = 41.2:
      O   HN    VAL   43 - HA    VAL   42   2.22 +/- 0.04  99.812% * 99.9765% (0.90  10.0   5.04  41.24) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.48 +/- 1.69   0.188% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.854, support = 0.0583, residual support = 0.02:
          QD1   ILE   89 - QG2   VAL   41  12.21 +/- 2.51  22.763% * 76.3269% (0.98   0.08   0.02) =  69.537%  kept
          QD2   LEU   31 - QG2   VAL   41   6.64 +/- 3.77  54.684% *  7.0720% (0.34   0.02   0.02) =  15.478%  kept
          QG2   VAL   83 - QG2   VAL   41  11.06 +/- 2.99  22.554% * 16.6011% (0.80   0.02   0.02) =  14.985%  kept
    Distance limit 3.06 A violated in 12 structures by 2.99 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 = 0.824, support = 4.04, residual support = 26.7:
        T HB    VAL   41 - HB    VAL   42   5.83 +/- 0.46  24.377% * 95.2206% (0.84 10.00   4.15  27.48) =  96.937%  kept
          HB2   LEU   71 - HB    VAL   42   6.01 +/- 2.67  30.385% *  2.2322% (0.42  1.00   0.93   1.97) =   2.832%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.23 +/- 1.71   3.780% *  0.6383% (0.56 10.00   0.02   0.02) =   0.101%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.02 +/- 2.57   8.805% *  0.0604% (0.53  1.00   0.02   0.02) =   0.022%
          HG12  ILE  103 - HB    VAL   42   9.73 +/- 1.64   6.159% *  0.0856% (0.75  1.00   0.02   0.02) =   0.022%
          QB    LYS+  66 - HB    VAL   42  10.61 +/- 1.57   4.938% *  0.0984% (0.87  1.00   0.02   0.02) =   0.020%
        T HB    VAL   41 - HB2   LYS+ 112  20.58 +/- 1.67   0.473% *  0.6720% (0.59 10.00   0.02   0.02) =   0.013%
          HB3   PRO   52 - HB2   LYS+ 112  10.78 +/- 3.29   6.311% *  0.0422% (0.37  1.00   0.02   0.02) =   0.011%
          QB    LYS+  65 - HB    VAL   42  11.05 +/- 1.12   3.420% *  0.0519% (0.46  1.00   0.02   0.02) =   0.007%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.09 +/- 1.03   0.390% *  0.4505% (0.40 10.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HB    VAL   42  14.47 +/- 2.05   1.745% *  0.0856% (0.75  1.00   0.02   0.02) =   0.006%
          HG    LEU  123 - HB    VAL   42  14.95 +/- 4.38   2.448% *  0.0598% (0.53  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HB2   LYS+ 112  15.27 +/- 2.00   1.392% *  0.0695% (0.61  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HB2   LYS+ 112  13.96 +/- 2.21   2.493% *  0.0366% (0.32  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB2   LYS+ 112  14.86 +/- 1.66   1.328% *  0.0422% (0.37  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB    VAL   42  19.89 +/- 1.50   0.585% *  0.0598% (0.53  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HB2   LYS+ 112  20.44 +/- 1.58   0.510% *  0.0604% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   LYS+ 112  20.96 +/- 4.24   0.461% *  0.0339% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 8 structures by 1.21 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.12, residual support = 84.0:
          HN    VAL   42 - QG2   VAL   42   3.02 +/- 0.58  73.938% * 75.1161% (0.64   5.36  89.89) =  93.340%  kept
          HN    LEU   73 - QG2   VAL   42   5.84 +/- 1.27  16.066% * 24.5426% (0.64   1.75   1.02) =   6.627%  kept
          HN    LYS+ 106 - QG2   VAL   42   9.23 +/- 1.92   6.135% *  0.2801% (0.64   0.02   0.02) =   0.029%
          HN    ILE   19 - QG2   VAL   42  10.17 +/- 3.99   3.861% *  0.0613% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.12, residual support = 41.2:
          HN    VAL   43 - QG2   VAL   42   3.67 +/- 0.51 100.000% *100.0000% (0.72   5.12  41.24) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.956, support = 3.97, residual support = 88.5:
      O T HA    VAL   42 - QG1   VAL   42   2.51 +/- 0.34  67.591% * 91.4892% (0.97  10.0 10.00   4.00  89.89) =  98.244%  kept
          HA    THR   46 - QB    ALA   47   3.90 +/- 0.15  19.786% *  5.4584% (0.44   1.0  1.00   2.63  11.51) =   1.716%  kept
        T HA    GLN   17 - QG1   VAL   42  12.13 +/- 5.37   1.617% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.014%
        T HA    PHE   55 - QB    ALA   47  10.07 +/- 1.26   1.492% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.011%
        T HA    VAL   42 - QB    ALA   47  13.87 +/- 1.15   0.440% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.006%
        T HA    PHE   55 - QG1   VAL   42  14.34 +/- 1.41   0.465% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLN   90 - QB    ALA   47   8.09 +/- 2.06   3.418% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    ALA   47  21.21 +/- 5.87   0.196% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG1   VAL   42   9.94 +/- 0.59   1.322% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  10.44 +/- 2.48   1.853% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.36 +/- 0.89   0.483% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  11.60 +/- 1.47   0.892% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.60 +/- 1.55   0.365% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  24.81 +/- 1.47   0.080% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.891, support = 1.62, residual support = 4.34:
          QD    PHE   60 - QG1   VAL   42   5.28 +/- 1.66  35.385% * 89.3875% (0.93   1.72   4.67) =  92.936%  kept
          QE    PHE   59 - QG1   VAL   42   5.55 +/- 2.27  34.047% *  6.3341% (0.33   0.34   0.02) =   6.336%  kept
          HN    LYS+  66 - QG1   VAL   42   8.55 +/- 1.47  11.476% *  0.9014% (0.81   0.02   0.02) =   0.304%  kept
          QD    PHE   60 - QB    ALA   47   8.68 +/- 2.22  10.272% *  0.8994% (0.80   0.02   0.02) =   0.271%  kept
          HN    LYS+  81 - QB    ALA   47  11.46 +/- 2.04   2.715% *  0.6401% (0.57   0.02   0.02) =   0.051%
          HN    LYS+  66 - QB    ALA   47  14.57 +/- 2.62   1.682% *  0.7784% (0.70   0.02   0.02) =   0.038%
          HN    LYS+  81 - QG1   VAL   42  15.26 +/- 1.91   1.697% *  0.7413% (0.66   0.02   0.02) =   0.037%
          QE    PHE   59 - QB    ALA   47  11.74 +/- 1.41   2.726% *  0.3179% (0.28   0.02   0.02) =   0.025%
    Distance limit 3.10 A violated in 3 structures by 0.85 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 4.89, residual support = 78.3:
          HN    VAL   42 - QG1   VAL   42   3.62 +/- 0.39  50.112% * 81.2989% (0.77   5.45  89.89) =  86.944%  kept
          HN    LEU   73 - QG1   VAL   42   4.99 +/- 2.12  34.779% * 17.5074% (0.77   1.17   1.02) =  12.994%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.88 +/- 1.10   4.301% *  0.2985% (0.77   0.02   0.02) =   0.027%
          HN    LYS+ 106 - QB    ALA   47  15.73 +/- 3.09   2.878% *  0.2578% (0.67   0.02   0.02) =   0.016%
          HN    ILE   19 - QG1   VAL   42  10.25 +/- 4.35   5.473% *  0.0653% (0.17   0.02   0.02) =   0.008%
          HN    LEU   73 - QB    ALA   47  13.57 +/- 2.28   1.015% *  0.2578% (0.67   0.02   0.02) =   0.006%
          HN    VAL   42 - QB    ALA   47  14.66 +/- 1.05   0.830% *  0.2578% (0.67   0.02   0.02) =   0.005%
          HN    ILE   19 - QB    ALA   47  18.55 +/- 5.44   0.613% *  0.0564% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 5.12, residual support = 41.2:
          HN    VAL   43 - QG1   VAL   42   2.88 +/- 0.35  96.646% * 99.3932% (0.40   5.12  41.24) =  99.992%  kept
          HN    VAL   43 - QB    ALA   47  12.43 +/- 1.13   1.454% *  0.3353% (0.34   0.02   0.02) =   0.005%
          HN    VAL   24 - QG1   VAL   42  13.68 +/- 2.04   1.190% *  0.1457% (0.15   0.02   0.02) =   0.002%
          HN    VAL   24 - QB    ALA   47  17.78 +/- 4.16   0.710% *  0.1258% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.424, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.08 +/- 1.28  82.552% * 53.6601% (0.43   0.02   0.02) =  84.565%  kept
          HN    LEU  104 - QB    ALA   47  17.92 +/- 2.85  17.448% * 46.3399% (0.37   0.02   0.02) =  15.435%  kept
    Distance limit 3.86 A violated in 20 structures by 4.14 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.72, residual support = 16.0:
          HN    TRP   49 - QB    ALA   47   2.68 +/- 0.43  91.060% * 95.0469% (0.29   3.72  15.99) =  99.904%  kept
          HE22  GLN   30 - QG1   VAL   42   9.86 +/- 2.29   4.681% *  0.9202% (0.53   0.02   0.02) =   0.050%
          HD22  ASN   69 - QG1   VAL   42   9.67 +/- 1.47   2.447% *  1.0585% (0.61   0.02   0.02) =   0.030%
          HD22  ASN   69 - QB    ALA   47  19.82 +/- 3.22   0.392% *  1.3819% (0.79   0.02   0.02) =   0.006%
          HN    TRP   49 - QG1   VAL   42  14.37 +/- 1.88   1.072% *  0.3911% (0.22   0.02   0.02) =   0.005%
          HE22  GLN   30 - QB    ALA   47  19.10 +/- 3.06   0.349% *  1.2014% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.48 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 = 2.29, residual support = 10.6:
      O   HN    ALA   47 - QB    ALA   47   2.35 +/- 0.20  74.186% * 93.4110% (0.39  10.0   2.32  10.81) =  97.889%  kept
          QD    PHE   95 - QG1   VAL   42   4.56 +/- 1.23  23.666% *  6.2982% (0.70   1.0   0.75   0.93) =   2.106%  kept
          QD    PHE   95 - QB    ALA   47   9.26 +/- 0.87   1.465% *  0.2193% (0.91   1.0   0.02   0.02) =   0.005%
          HN    ALA   47 - QG1   VAL   42  11.45 +/- 0.91   0.683% *  0.0715% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.553, support = 4.29, residual support = 34.2:
          HB    VAL   42 - QG1   VAL   43   5.37 +/- 0.73  18.417% * 65.9726% (0.62  1.00   4.69  41.24) =  73.630%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.23 +/- 0.81  13.638% * 27.8837% (0.34  1.00   3.63  16.37) =  23.044%  kept
        T HB3   LEU   73 - QG1   VAL   43   7.22 +/- 2.44  12.751% *  3.1274% (0.69 10.00   0.02   2.81) =   2.417%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.57 +/- 1.75  11.099% *  0.3871% (0.85  1.00   0.02   0.02) =   0.260%  kept
          HG    LEU   98 - QG1   VAL   43   6.84 +/- 2.32  16.117% *  0.2647% (0.58  1.00   0.02   0.02) =   0.259%  kept
          HB3   PRO   93 - QG1   VAL   43   9.37 +/- 2.10   8.377% *  0.3277% (0.72  1.00   0.02   0.02) =   0.166%  kept
          QB    ALA   84 - QG1   VAL   43  10.11 +/- 1.34   2.690% *  0.3127% (0.69  1.00   0.02   0.02) =   0.051%
          HG3   LYS+ 102 - QG1   VAL   43  11.66 +/- 1.87   2.157% *  0.3277% (0.72  1.00   0.02   0.02) =   0.043%
          HB3   LEU   80 - QG1   VAL   43  10.54 +/- 4.29   6.064% *  0.0810% (0.18  1.00   0.02   0.02) =   0.030%
          HG3   LYS+  33 - QG1   VAL   43  12.36 +/- 2.95   1.813% *  0.2482% (0.54  1.00   0.02   0.02) =   0.027%
          HB2   LEU   63 - QG1   VAL   43  10.14 +/- 1.90   3.382% *  0.1138% (0.25  1.00   0.02   0.02) =   0.023%
          HB2   LYS+ 112 - QG1   VAL   43  14.82 +/- 1.78   0.839% *  0.3550% (0.78  1.00   0.02   0.02) =   0.018%
          HG3   LYS+  65 - QG1   VAL   43  13.49 +/- 1.50   1.029% *  0.2811% (0.62  1.00   0.02   0.02) =   0.018%
          QB    ALA  124 - QG1   VAL   43  16.41 +/- 3.39   0.715% *  0.2153% (0.47  1.00   0.02   0.02) =   0.009%
          QB    ALA   12 - QG1   VAL   43  17.19 +/- 4.58   0.913% *  0.1020% (0.22  1.00   0.02   0.02) =   0.006%
    Distance limit 3.37 A violated in 0 structures by 0.70 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.266, support = 1.09, residual support = 3.03:
        T HH2   TRP   27 - QG1   VAL   43   6.72 +/- 4.87  54.915% * 46.6649% (0.31 10.00   0.86   3.03) =  51.590%  kept
        T HZ3   TRP   27 - QG1   VAL   43   6.89 +/- 4.15  45.085% * 53.3351% (0.22 10.00   1.34   3.03) =  48.410%  kept
    Distance limit 3.03 A violated in 9 structures by 3.07 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.49, residual support = 61.8:
          HN    VAL   43 - QG1   VAL   43   2.59 +/- 0.54 100.000% *100.0000% (0.80   5.49  61.83) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.353, support = 3.57, residual support = 16.9:
          HN    ASP-  44 - QG2   VAL   43   3.41 +/- 0.52  44.919% * 72.3165% (0.39   3.90  16.37) =  81.082%  kept
          HN    ASN   28 - QD2   LEU   31   3.92 +/- 0.90  37.526% * 19.2974% (0.18   2.22  19.79) =  18.076%  kept
          HN    ASN   28 - QG2   VAL   43  11.44 +/- 4.55   4.212% *  7.5485% (0.63   0.25   0.02) =   0.794%  kept
          HN    GLU-  25 - QG2   VAL   43  13.40 +/- 4.46   2.119% *  0.3447% (0.36   0.02   0.02) =   0.018%
          HN    GLU-  25 - QD2   LEU   31   7.67 +/- 0.93   4.280% *  0.0989% (0.10   0.02   0.02) =   0.011%
          HN    ASP-  44 - QD2   LEU   31  10.39 +/- 3.74   3.844% *  0.1064% (0.11   0.02   0.02) =   0.010%
          HN    ASN   69 - QG2   VAL   43  12.17 +/- 1.40   1.254% *  0.2235% (0.23   0.02   0.02) =   0.007%
          HN    ASN   69 - QD2   LEU   31  12.15 +/- 2.55   1.845% *  0.0641% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.23, residual support = 61.8:
      O   HN    VAL   43 - HB    VAL   43   2.97 +/- 0.58 100.000% *100.0000% (0.87  10.0   4.23  61.83) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 15.8:
          HN    MET   96 - HB    VAL   43   4.22 +/- 0.61 100.000% *100.0000% (0.51   1.50  15.78) = 100.000%  kept
    Distance limit 3.83 A violated in 2 structures by 0.46 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.49, residual support = 17.7:
        T QD    PHE   45 - HB3   ASP-  44   4.84 +/- 0.29 100.000% *100.0000% (0.80 10.00   4.49  17.68) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.91 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.86, residual support = 39.2:
      O   HN    ASP-  44 - HB3   ASP-  44   3.30 +/- 0.38  98.015% * 99.8560% (0.98  10.0   3.86  39.18) =  99.999%  kept
          HN    GLU-  25 - HB3   ASP-  44  18.21 +/- 3.82   0.858% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  16.47 +/- 3.62   1.127% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.847, support = 1.34, residual support = 1.99:
        T HA    MET   92 - HB2   ASP-  44  10.73 +/- 2.29  27.799% * 81.1268% (0.80 10.00   0.97   0.48) =  62.336%  kept
          HA    LYS+  74 - HB2   ASP-  44   5.69 +/- 2.71  72.201% * 18.8732% (0.92  1.00   1.96   4.49) =  37.664%  kept
    Distance limit 4.06 A violated in 5 structures by 1.34 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.12, residual support = 39.2:
      O   HN    ASP-  44 - HB2   ASP-  44   2.71 +/- 0.44  98.429% * 99.8560% (0.98  10.0   3.12  39.18) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  17.94 +/- 3.68   0.679% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  16.08 +/- 3.53   0.893% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 3.86, residual support = 32.6:
      O   HN    ASP-  44 - HA    ASP-  44   2.88 +/- 0.06  32.907% * 81.9551% (0.80  10.0   3.78  39.18) =  69.502%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.03  66.020% * 17.9245% (0.18  10.0   4.06  17.68) =  30.497%  kept
          HN    ALA  110 - HA    ASP-  44  10.54 +/- 1.62   0.905% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  18.43 +/- 3.44   0.169% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.37:
          HA    PHE   95 - HA    ASP-  44   3.24 +/- 1.52 100.000% *100.0000% (0.87   2.00   4.37) = 100.000%  kept
    Distance limit 3.71 A violated in 2 structures by 0.42 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 28.2:
        T HB    THR   94 - HB2   PHE   45   3.08 +/- 0.80  81.776% * 98.9931% (0.65 10.00   2.96  28.22) =  99.981%  kept
          QB    SER   48 - HB2   PHE   45  10.33 +/- 0.89   3.292% *  0.1169% (0.76  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - HB2   PHE   45  12.50 +/- 1.79   2.180% *  0.1477% (0.97  1.00   0.02   0.02) =   0.004%
          HA    LYS+  65 - HB2   PHE   45  15.34 +/- 2.49   1.469% *  0.1413% (0.92  1.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HB2   PHE   45  11.50 +/- 1.97   2.650% *  0.0522% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PHE   45  12.31 +/- 2.40   4.347% *  0.0268% (0.18  1.00   0.02   0.45) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  14.07 +/- 1.94   1.506% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  23.90 +/- 7.20   0.524% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  19.36 +/- 2.22   0.457% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HB2   PHE   45  19.40 +/- 2.60   0.442% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  14.18 +/- 1.47   1.002% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  22.78 +/- 3.67   0.357% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.431, support = 2.23, residual support = 9.84:
          QG2   THR   77 - HB2   PHE   45   4.22 +/- 2.32  66.354% * 74.7123% (0.45   2.26  10.46) =  93.881%  kept
          QB    ALA   88 - HB2   PHE   45  10.82 +/- 2.45  14.138% * 21.8674% (0.15   1.92   0.45) =   5.855%  kept
          QG2   ILE   56 - HB2   PHE   45   8.18 +/- 2.75  16.842% *  0.6612% (0.45   0.02   0.02) =   0.211%  kept
          QG2   THR   23 - HB2   PHE   45  17.32 +/- 2.93   1.071% *  1.3951% (0.95   0.02   0.02) =   0.028%
          QB    ALA   34 - HB2   PHE   45  16.02 +/- 1.94   1.278% *  0.9540% (0.65   0.02   0.02) =   0.023%
          HG3   LYS+  38 - HB2   PHE   45  24.56 +/- 1.39   0.316% *  0.4100% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 0.749, residual support = 11.5:
        T QG2   ILE   89 - HB2   PHE   45   5.85 +/- 2.76  58.645% * 99.8023% (1.00 10.00   0.75  11.48) =  99.914%  kept
          QG1   VAL   83 - HB2   PHE   45   9.23 +/- 3.03  29.610% *  0.1510% (0.57  1.00   0.02   1.97) =   0.076%
          QD1   LEU  104 - HB2   PHE   45  14.64 +/- 1.79  11.746% *  0.0467% (0.18  1.00   0.02   0.02) =   0.009%
    Distance limit 3.79 A violated in 10 structures by 2.15 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.881, support = 2.52, residual support = 9.3:
          QG2   THR   77 - HB3   PHE   45   3.42 +/- 2.35  66.312% * 63.9849% (0.87   2.68  10.46) =  88.450%  kept
          QB    ALA   88 - HB3   PHE   45  10.32 +/- 2.47  15.845% * 34.7548% (0.99   1.28   0.45) =  11.480%  kept
          HG2   LYS+ 111 - HB3   PHE   45  13.69 +/- 2.85  11.908% *  0.2063% (0.38   0.02   0.02) =   0.051%
          HB3   LEU   80 - HB3   PHE   45  10.37 +/- 3.43   3.995% *  0.1088% (0.20   0.02   0.02) =   0.009%
          HB2   LEU   31 - HB3   PHE   45  19.48 +/- 4.37   1.158% *  0.1696% (0.31   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HB3   PHE   45  20.72 +/- 1.67   0.501% *  0.3556% (0.65   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HB3   PHE   45  24.22 +/- 1.23   0.282% *  0.4200% (0.76   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.19, residual support = 11.5:
        T QG2   ILE   89 - HB3   PHE   45   5.32 +/- 2.61 100.000% *100.0000% (0.69 10.00   1.19  11.48) = 100.000%  kept
    Distance limit 3.65 A violated in 6 structures by 1.84 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.33, residual support = 79.7:
      O   QD    PHE   45 - HB2   PHE   45   2.62 +/- 0.14  98.869% * 99.6976% (0.65  10.0   4.33  79.67) =  99.999%  kept
          HD2   HIS  122 - HB2   PHE   45  16.09 +/- 2.84   0.575% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB2   PHE   45  17.74 +/- 1.85   0.374% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   PHE   45  23.90 +/- 5.61   0.183% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.724, support = 3.61, residual support = 79.4:
      O   HN    PHE   45 - HB2   PHE   45   2.53 +/- 0.44  88.284% * 95.1688% (0.73  10.0   3.61  79.67) =  99.636%  kept
          HN    ASP-  44 - HB2   PHE   45   6.49 +/- 0.39   6.423% *  4.6775% (0.22   1.0   3.21  17.68) =   0.356%  kept
          HN    ALA  110 - HB2   PHE   45   8.78 +/- 1.86   4.977% *  0.1210% (0.92   1.0   0.02   0.02) =   0.007%
          HN    GLU-  25 - HB2   PHE   45  20.16 +/- 4.25   0.316% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.04, residual support = 79.7:
      O   QD    PHE   45 - HB3   PHE   45   2.45 +/- 0.17  99.217% * 99.6976% (0.65  10.0   5.04  79.67) =  99.999%  kept
          HD2   HIS  122 - HB3   PHE   45  17.14 +/- 2.70   0.380% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB3   PHE   45  18.83 +/- 1.70   0.252% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  24.11 +/- 5.84   0.151% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.93, residual support = 79.3:
      O   HN    PHE   45 - HB3   PHE   45   3.34 +/- 0.39  79.219% * 95.1696% (0.73  10.0   3.93  79.67) =  99.350%  kept
          HN    ASP-  44 - HB3   PHE   45   6.76 +/- 0.57  10.279% *  4.6767% (0.22   1.0   3.21  17.68) =   0.633%  kept
          HN    ALA  110 - HB3   PHE   45   9.79 +/- 2.04   9.916% *  0.1210% (0.92   1.0   0.02   0.02) =   0.016%
          HN    GLU-  25 - HB3   PHE   45  20.08 +/- 4.54   0.586% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.05, residual support = 3.76:
          HA    ASP-  76 - QG2   THR   46   5.83 +/- 3.71 100.000% *100.0000% (0.41   1.05   3.76) = 100.000%  kept
    Distance limit 3.43 A violated in 11 structures by 2.59 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.34, residual support = 34.0:
          HN    THR   46 - QG2   THR   46   2.59 +/- 0.35  82.489% * 89.5971% (0.76   3.36  34.23) =  99.252%  kept
          HN    LYS+  74 - QG2   THR   46   8.43 +/- 3.05   5.659% *  8.9728% (1.00   0.26   0.23) =   0.682%  kept
          HN    MET   92 - QG2   THR   46   7.10 +/- 2.00   8.709% *  0.3953% (0.57   0.02   0.02) =   0.046%
          HN    LYS+ 112 - QG2   THR   46  11.07 +/- 2.53   2.934% *  0.4516% (0.65   0.02   0.02) =   0.018%
          HN    MET   11 - QG2   THR   46  24.04 +/- 5.86   0.210% *  0.5832% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.11 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 = 0.31, support = 2.91, residual support = 10.3:
          HN    ALA   47 - QG2   THR   46   3.47 +/- 0.62  77.991% * 71.0780% (0.25   3.20  11.51) =  89.700%  kept
          QD    PHE   95 - QG2   THR   46   6.26 +/- 1.48  22.009% * 28.9220% (0.84   0.39   0.02) =  10.300%  kept
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.318, support = 0.778, residual support = 0.35:
          QB    CYS   50 - QG2   THR   46   5.64 +/- 1.35  32.971% * 45.9375% (0.31   0.99   0.47) =  54.048%  kept
          QE    LYS+  74 - QG2   THR   46   5.64 +/- 3.55  37.891% * 25.1656% (0.28   0.60   0.23) =  34.027%  kept
          HA    ALA   64 - QG2   THR   46   9.33 +/- 2.32  12.220% * 23.8135% (0.41   0.38   0.15) =  10.384%  kept
          HB2   PHE   72 - QG2   THR   46   9.72 +/- 1.76   8.627% *  3.0107% (1.00   0.02   0.02) =   0.927%  kept
          HB3   ASN   69 - QG2   THR   46  15.06 +/- 2.70   8.292% *  2.0727% (0.69   0.02   0.02) =   0.613%  kept
    Distance limit 3.64 A violated in 5 structures by 0.84 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.17:
      O   HN    SER   48 - HA    SER   48   2.77 +/- 0.05  99.110% * 99.9333% (0.49  10.0   2.61   9.17) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  16.84 +/- 2.47   0.531% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  20.51 +/- 3.34   0.359% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.41, residual support = 9.17:
      O   HN    SER   48 - QB    SER   48   2.33 +/- 0.24  98.196% * 99.9496% (0.95  10.0   2.41   9.17) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.96 +/- 3.17   1.625% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  19.90 +/- 1.79   0.178% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.927, support = 4.09, residual support = 83.7:
      O   HN    TRP   49 - HB2   TRP   49   3.56 +/- 0.29  53.643% * 97.0475% (0.95  10.0   4.11  85.66) =  97.559%  kept
          HN    CYS   50 - HB2   TRP   49   3.81 +/- 0.67  45.890% *  2.8375% (0.15   1.0   3.59   5.13) =   2.440%  kept
          HE22  GLN   30 - HB2   TRP   49  26.06 +/- 4.78   0.220% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  25.99 +/- 5.78   0.247% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.74, residual support = 85.7:
      O   HD1   TRP   49 - HB2   TRP   49   3.88 +/- 0.07  95.636% * 99.6923% (0.80  10.0   4.74  85.66) =  99.997%  kept
          HD2   HIS   22 - HB2   TRP   49  24.28 +/- 6.91   1.132% *  0.1149% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   TRP   49  19.46 +/- 5.68   2.215% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   TRP   49  32.40 +/- 5.24   0.231% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  23.79 +/- 5.83   0.785% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.781, support = 4.1, residual support = 84.6:
      O   HN    TRP   49 - HB3   TRP   49   3.06 +/- 0.44  67.637% * 97.0351% (0.79  10.0   4.11  85.66) =  98.633%  kept
          HN    CYS   50 - HB3   TRP   49   4.08 +/- 0.36  31.919% *  2.8500% (0.13   1.0   3.60   5.13) =   1.367%  kept
          HE22  GLN   30 - HB3   TRP   49  26.14 +/- 4.63   0.209% *  0.0947% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  26.26 +/- 5.69   0.236% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 4.75, residual support = 85.7:
      O   HD1   TRP   49 - HB3   TRP   49   2.92 +/- 0.19  97.814% * 99.6923% (0.67  10.0   4.75  85.66) =  99.998%  kept
          HD2   HIS   22 - HB3   TRP   49  24.26 +/- 6.97   0.687% *  0.1149% (0.77   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   49  19.92 +/- 5.55   0.946% *  0.0558% (0.37   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   TRP   49  32.44 +/- 5.13   0.114% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  23.71 +/- 6.02   0.438% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.707, support = 0.02, residual support = 2.19:
          HB2   PRO   52 - HB3   TRP   49  10.47 +/- 0.75  63.765% * 45.9163% (0.72   0.02   3.03) =  72.202%  kept
          HB2   ASP-  62 - HB3   TRP   49  19.09 +/- 4.31  22.021% * 45.9163% (0.72   0.02   0.02) =  24.935%  kept
          HG2   MET   96 - HB3   TRP   49  20.52 +/- 2.89  14.214% *  8.1674% (0.13   0.02   0.02) =   2.863%  kept
    Distance limit 3.96 A violated in 20 structures by 6.18 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  13.05 +/- 1.02  30.833% * 16.1708% (0.47   0.02   0.02) =  30.545%  kept
          QG    GLU-  79 - HB3   TRP   49  14.83 +/- 3.96  25.901% * 13.9029% (0.41   0.02   0.02) =  22.060%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.69 +/- 3.11  20.600% * 16.1708% (0.47   0.02   0.02) =  20.408%  kept
          HB    VAL  107 - HB3   TRP   49  19.23 +/- 2.32  11.772% * 27.0190% (0.79   0.02   0.02) =  19.485%  kept
          QG    GLN   32 - HB3   TRP   49  28.75 +/- 5.10   4.228% * 22.8711% (0.67   0.02   0.02) =   5.924%  kept
          HG2   GLU-  29 - HB3   TRP   49  30.33 +/- 6.33   6.666% *  3.8655% (0.11   0.02   0.02) =   1.579%  kept
    Distance limit 4.02 A violated in 20 structures by 6.91 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.55, residual support = 6.77:
          QB    ALA   47 - QB    CYS   50   3.42 +/- 0.65  83.829% * 98.7991% (0.65   3.55   6.78) =  99.923%  kept
          QB    ALA   64 - QB    CYS   50  10.46 +/- 2.35   6.990% *  0.5566% (0.65   0.02   0.02) =   0.047%
          QG1   VAL   42 - QB    CYS   50  12.39 +/- 1.60   2.839% *  0.4527% (0.53   0.02   0.02) =   0.016%
          HG2   LYS+ 112 - QB    CYS   50  12.26 +/- 3.17   6.342% *  0.1916% (0.22   0.02   0.02) =   0.015%
    Distance limit 3.66 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.55, residual support = 7.52:
        T HB2   CYS   53 - QB    CYS   50   3.38 +/- 0.81  58.189% * 89.6540% (1.00 10.00   1.50   8.02) =  93.649%  kept
          HD3   PRO   52 - QB    CYS   50   4.70 +/- 1.32  35.094% * 10.0709% (0.73  1.00   2.32   0.14) =   6.345%  kept
          HD2   PRO   58 - QB    CYS   50  10.44 +/- 2.12   2.521% *  0.0583% (0.49  1.00   0.02   0.02) =   0.003%
          HA    VAL   83 - QB    CYS   50  15.59 +/- 2.97   2.303% *  0.0493% (0.41  1.00   0.02   0.02) =   0.002%
          HB3   SER   82 - QB    CYS   50  16.85 +/- 3.29   1.495% *  0.0267% (0.22  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  23.63 +/- 2.16   0.234% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.88 +/- 2.85   0.164% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.794, support = 1.63, residual support = 7.58:
      O   HN    CYS   50 - QB    CYS   50   2.94 +/- 0.29  73.169% * 88.4637% (0.80  10.0   1.58   7.69) =  95.684%  kept
          HN    TRP   49 - QB    CYS   50   4.33 +/- 0.36  25.488% * 11.4539% (0.65   1.0   2.54   5.13) =   4.315%  kept
          HN    VAL   83 - QB    CYS   50  14.97 +/- 2.92   1.114% *  0.0476% (0.34   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    CYS   50  21.46 +/- 2.50   0.229% *  0.0348% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  97.994% * 97.0144% (0.87  10.0 10.00   2.81  10.15) =  99.985%  kept
        T QB    SER   48 - HA1   GLY   51   9.02 +/- 0.95   0.822% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QB    SER   85 - HA1   GLY   51  18.34 +/- 4.53   0.516% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER  117 - HA1   GLY   51  19.48 +/- 2.25   0.084% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  15.70 +/- 2.69   0.179% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  18.15 +/- 4.10   0.157% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.09 +/- 1.75   0.040% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.12 +/- 1.83   0.032% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.53 +/- 1.54   0.155% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  31.01 +/- 5.28   0.021% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.971, support = 3.09, residual support = 34.6:
          HB3   CYS   53 - HB2   PRO   52   6.66 +/- 0.70  13.718% * 77.4894% (0.99   4.61  55.08) =  62.459%  kept
          QB    PHE   55 - HB2   PRO   52   4.47 +/- 0.48  42.632% * 10.2306% (0.92   0.65   0.41) =  25.626%  kept
          HD3   PRO   93 - HB2   PRO   52   9.16 +/- 4.61  23.213% *  6.1685% (0.98   0.37   0.02) =   8.413%  kept
          HD2   ARG+  54 - HB2   PRO   52   7.76 +/- 1.23  11.688% *  5.0031% (0.97   0.31   1.93) =   3.436%  kept
          HB2   PHE   59 - HB2   PRO   52  13.74 +/- 2.06   1.533% *  0.2328% (0.69   0.02   0.02) =   0.021%
          HD3   PRO   93 - HG2   MET   96  13.82 +/- 1.22   1.530% *  0.0976% (0.29   0.02   0.02) =   0.009%
          HD3   PRO   68 - HB2   PRO   52  21.39 +/- 2.07   0.441% *  0.3270% (0.97   0.02   0.02) =   0.008%
          HB3   CYS   53 - HG2   MET   96  16.67 +/- 2.60   1.263% *  0.0987% (0.29   0.02   0.02) =   0.007%
          HB2   PHE   59 - HG2   MET   96  15.35 +/- 2.83   1.579% *  0.0684% (0.20   0.02   0.02) =   0.006%
          HD3   PRO   68 - HG2   MET   96  16.97 +/- 2.39   0.990% *  0.0961% (0.28   0.02   0.02) =   0.006%
          QB    PHE   55 - HG2   MET   96  17.34 +/- 1.98   0.797% *  0.0919% (0.27   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG2   MET   96  21.70 +/- 3.32   0.614% *  0.0961% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.10 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.352, support = 1.62, residual support = 14.8:
        T HD3   PRO   93 - HB3   PRO   52   8.75 +/- 3.94  18.555% * 35.2905% (0.41 10.00   0.36   0.02) =  40.189%  kept
          HB3   CYS   53 - HB3   PRO   52   6.26 +/- 0.88  14.463% * 29.3802% (0.25  1.00   4.96  55.08) =  26.079%  kept
        T HD2   ARG+  54 - HB3   PRO   52   7.87 +/- 1.28  10.801% * 25.4404% (0.20 10.00   0.54   1.93) =  16.865%  kept
          QB    PHE   55 - HB3   PRO   52   4.33 +/- 0.58  38.179% *  7.1354% (0.53  1.00   0.57   0.41) =  16.719%  kept
        T HD2   ARG+  54 - QB    LYS+  81  18.52 +/- 5.24   9.439% *  0.1080% (0.02 10.00   0.02   0.02) =   0.063%
        T HD3   PRO   68 - HB3   PRO   52  21.24 +/- 2.53   0.353% *  2.1319% (0.45 10.00   0.02   0.02) =   0.046%
          HB2   PHE   59 - HB3   PRO   52  13.55 +/- 1.41   1.253% *  0.3808% (0.80  1.00   0.02   0.02) =   0.029%
          HD3   PRO   93 - QB    LYS+  81  12.98 +/- 2.84   2.563% *  0.0224% (0.05  1.00   0.02   0.02) =   0.004%
          QB    PHE   55 - QB    LYS+  81  16.84 +/- 3.90   1.495% *  0.0287% (0.06  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - QB    LYS+  81  20.54 +/- 4.80   0.895% *  0.0437% (0.09  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - QB    LYS+  81  15.63 +/- 3.58   1.366% *  0.0136% (0.03  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - QB    LYS+  81  22.38 +/- 4.10   0.637% *  0.0245% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.455, support = 0.02, residual support = 0.0294:
          QB    ALA  110 - HB2   PRO   52   8.56 +/- 4.03  17.073% *  2.7932% (0.28   0.02   0.02) =  15.979%  kept
          QB    ALA   61 - HB2   PRO   52  10.97 +/- 2.10   8.030% *  4.8900% (0.49   0.02   0.02) =  13.158%  kept
          HB3   LEU  115 - HB2   PRO   52  13.17 +/- 2.75   2.996% *  8.3913% (0.84   0.02   0.02) =   8.423%  kept
          HG    LEU   73 - HB2   PRO   52  20.23 +/- 4.48   2.587% *  9.6953% (0.97   0.02   0.02) =   8.404%  kept
          HG    LEU   40 - HG2   MET   96  11.62 +/- 2.38   7.681% *  2.4650% (0.25   0.02   0.02) =   6.344%  kept
          HG    LEU   73 - HG2   MET   96  11.97 +/- 2.25   6.137% *  2.8481% (0.28   0.02   0.02) =   5.857%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.87 +/- 1.42   5.846% *  2.9446% (0.29   0.02   0.02) =   5.768%  kept
          HB3   LEU  115 - HG2   MET   96  12.53 +/- 1.25   4.584% *  2.4650% (0.25   0.02   0.20) =   3.787%  kept
          QG    LYS+  66 - HB2   PRO   52  18.36 +/- 1.87   1.322% *  8.3913% (0.84   0.02   0.02) =   3.716%  kept
          HG    LEU  115 - HB2   PRO   52  13.40 +/- 2.99   3.350% *  2.7932% (0.28   0.02   0.02) =   3.135%  kept
          HG    LEU   67 - HB2   PRO   52  21.31 +/- 3.08   1.135% *  7.2951% (0.73   0.02   0.02) =   2.776%  kept
          HG    LEU   80 - HG2   MET   96  14.90 +/- 6.62   8.503% *  0.9109% (0.09   0.02   0.02) =   2.595%  kept
          HB3   LEU   67 - HB2   PRO   52  20.23 +/- 2.49   1.140% *  6.4990% (0.65   0.02   0.02) =   2.483%  kept
          HG    LEU   67 - HG2   MET   96  15.55 +/- 2.69   3.455% *  2.1430% (0.21   0.02   0.02) =   2.481%  kept
          HB3   LEU   67 - HG2   MET   96  14.93 +/- 2.87   3.351% *  1.9091% (0.19   0.02   0.02) =   2.144%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.89 +/- 4.25   0.550% * 10.0239% (1.00   0.02   0.02) =   1.848%  kept
          HG    LEU   40 - HB2   PRO   52  24.06 +/- 2.03   0.589% *  8.3913% (0.84   0.02   0.02) =   1.656%  kept
          QB    ALA   61 - HG2   MET   96  14.12 +/- 1.91   3.249% *  1.4365% (0.14   0.02   0.02) =   1.564%  kept
          QB    ALA  120 - HB2   PRO   52  17.88 +/- 2.14   1.486% *  2.7932% (0.28   0.02   0.02) =   1.391%  kept
          QG    LYS+  66 - HG2   MET   96  17.53 +/- 2.47   1.639% *  2.4650% (0.25   0.02   0.02) =   1.353%  kept
          HG    LEU  115 - HG2   MET   96  13.71 +/- 1.80   4.707% *  0.8205% (0.08   0.02   0.20) =   1.294%  kept
          QB    ALA  110 - HG2   MET   96  12.36 +/- 0.98   4.443% *  0.8205% (0.08   0.02   0.02) =   1.222%  kept
          HG    LEU   80 - HB2   PRO   52  20.19 +/- 3.53   1.027% *  3.1007% (0.31   0.02   0.02) =   1.067%  kept
          QB    ALA  120 - HG2   MET   96  15.37 +/- 2.42   2.322% *  0.8205% (0.08   0.02   0.02) =   0.638%  kept
          HG12  ILE   19 - HG2   MET   96  17.18 +/- 3.65   2.231% *  0.6570% (0.07   0.02   0.02) =   0.491%  kept
          HG12  ILE   19 - HB2   PRO   52  26.26 +/- 5.03   0.567% *  2.2366% (0.22   0.02   0.02) =   0.425%  kept
    Distance limit 3.22 A violated in 15 structures by 2.75 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.631, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52  10.29 +/- 2.99  24.747% *  5.3763% (0.65  1.00   0.02   0.02) =  17.310%  kept
        T QB    ALA   88 - HD2   PRO   52  15.06 +/- 3.11   8.130% * 14.5547% (0.18 10.00   0.02   0.02) =  15.395%  kept
          HG2   LYS+ 111 - HD2   PRO   52  15.01 +/- 4.53  14.737% *  6.9417% (0.84  1.00   0.02   0.02) =  13.310%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  20.25 +/- 3.66   7.743% * 12.8231% (0.15 10.00   0.02   0.02) =  12.919%  kept
          HB3   ASP-  44 - HD2   PRO   52  13.23 +/- 1.61  11.344% *  8.1462% (0.98  1.00   0.02   0.02) =  12.023%  kept
          QB    ALA   84 - HD2   PRO   52  12.39 +/- 2.96  14.096% *  5.7087% (0.69  1.00   0.02   0.02) =  10.470%  kept
          HB2   LEU   63 - HD2   PRO   52  16.20 +/- 1.79   6.226% *  8.3107% (1.00  1.00   0.02   0.02) =   6.732%  kept
          HB3   LEU   80 - HD2   PRO   52  17.49 +/- 2.97   4.909% *  8.1462% (0.98  1.00   0.02   0.02) =   5.202%  kept
          HG    LEU   98 - HD2   PRO   52  24.14 +/- 2.74   2.455% *  6.6547% (0.80  1.00   0.02   0.02) =   2.126%  kept
          QB    ALA  124 - HD2   PRO   52  24.20 +/- 1.42   1.939% *  7.4533% (0.90  1.00   0.02   0.02) =   1.880%  kept
          HB2   LEU   31 - HD2   PRO   52  26.91 +/- 3.31   1.410% *  7.4533% (0.90  1.00   0.02   0.02) =   1.367%  kept
          HG2   LYS+  99 - HD2   PRO   52  28.56 +/- 2.49   1.322% *  4.7052% (0.57  1.00   0.02   0.02) =   0.809%  kept
          HG2   LYS+  38 - HD2   PRO   52  31.53 +/- 1.98   0.942% *  3.7260% (0.45  1.00   0.02   0.02) =   0.457%  kept
    Distance limit 3.70 A violated in 20 structures by 4.53 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.37, residual support = 223.1:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  98.135% * 97.1447% (0.80  10.0 10.00   7.37 223.13) =  99.987%  kept
        T HA    SER   48 - HD3   PRO   52   9.05 +/- 1.41   0.929% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   SER   82 - HD3   PRO   52  21.36 +/- 3.70   0.084% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HD3   PRO   52  17.76 +/- 4.08   0.148% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  23.83 +/- 2.19   0.043% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.49 +/- 4.09   0.311% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  18.55 +/- 3.78   0.130% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  25.76 +/- 5.88   0.042% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.24 +/- 2.24   0.103% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.86 +/- 2.95   0.018% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  31.02 +/- 3.62   0.021% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  33.09 +/- 2.13   0.015% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  30.90 +/- 5.72   0.022% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.862, support = 7.35, residual support = 221.4:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  91.193% * 88.4393% (0.87  10.0 10.00   7.37 223.13) =  98.954%  kept
          HB2   CYS   53 - HD2   PRO   52   3.99 +/- 0.35   8.264% * 10.3030% (0.38   1.0  1.00   5.39  55.08) =   1.045%  kept
        T HB3   SER   82 - HD2   PRO   52  20.14 +/- 3.64   0.089% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  13.98 +/- 3.33   0.270% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  27.90 +/- 2.68   0.025% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.62 +/- 3.87   0.027% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  18.00 +/- 1.73   0.093% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.13 +/- 1.61   0.023% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.62 +/- 1.56   0.018% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.7:
      O   HA1   GLY   51 - HD3   PRO   52   2.57 +/- 0.52  93.331% * 97.0168% (0.76  10.0  1.00   3.95  13.68) =  99.990%  kept
          HB    THR   77 - HD3   PRO   52  13.30 +/- 4.79   1.868% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - HD3   PRO   52  25.53 +/- 2.94   0.163% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HD3   PRO   52  11.21 +/- 1.24   2.136% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - HD3   PRO   52  28.69 +/- 1.51   0.089% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  15.31 +/- 1.31   0.740% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  17.29 +/- 3.89   0.555% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  18.30 +/- 4.29   0.564% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD3   PRO   52  35.65 +/- 7.50   0.135% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.27 +/- 3.86   0.288% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  34.45 +/- 6.03   0.131% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.15, residual support = 13.7:
      O   HA1   GLY   51 - HD2   PRO   52   3.24 +/- 0.32  90.233% * 92.3448% (0.34  10.0  1.00   5.15  13.68) =  99.929%  kept
        T HA    SER   85 - HD2   PRO   52  17.80 +/- 4.07   1.163% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.036%
          HB    THR   77 - HD2   PRO   52  12.27 +/- 4.67   4.016% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.013%
        T HA    ILE  103 - HD2   PRO   52  24.16 +/- 2.95   0.361% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASP-  44 - HD2   PRO   52  13.82 +/- 1.28   1.402% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HA    THR   39 - HD2   PRO   52  27.19 +/- 1.41   0.167% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HD2   PRO   52  16.36 +/- 3.81   1.089% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HD2   PRO   52  20.61 +/- 3.53   0.494% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  34.38 +/- 7.38   0.203% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HD2   PRO   52  33.15 +/- 5.97   0.189% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.00 +/- 4.29   0.550% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  31.05 +/- 3.94   0.133% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.1:
      O   HG2   PRO   52 - HD3   PRO   52   2.91 +/- 0.00  91.235% * 99.6603% (0.90  10.0   6.60 223.13) =  99.996%  kept
          HG2   MET   92 - HD3   PRO   52  11.69 +/- 3.44   6.481% *  0.0417% (0.38   1.0   0.02   0.02) =   0.003%
          QG    GLU- 114 - HD3   PRO   52  15.63 +/- 2.41   0.799% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  17.68 +/- 3.78   0.585% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.43 +/- 1.54   0.742% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  30.75 +/- 5.15   0.105% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.55 +/- 2.15   0.052% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.59, residual support = 223.1:
      O   HG3   PRO   52 - HD3   PRO   52   2.30 +/- 0.00  97.621% * 99.3977% (0.97  10.0  1.00   6.59 223.13) =  99.996%  kept
        T HB2   PRO   93 - HD3   PRO   52  11.24 +/- 3.01   1.583% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   58 - HD3   PRO   52  14.39 +/- 1.56   0.463% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  24.55 +/- 2.99   0.096% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  35.80 +/- 7.09   0.047% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  32.42 +/- 3.83   0.039% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  24.79 +/- 4.28   0.096% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.72 +/- 2.75   0.055% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.77, residual support = 222.3:
      O   HB3   PRO   52 - HD3   PRO   52   3.92 +/- 0.28  70.734% * 96.7907% (0.57  10.0   6.80 223.13) =  99.625%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.62 +/- 0.85  12.189% *  1.9651% (0.95   1.0   0.24   1.93) =   0.349%  kept
          HB3   GLN   90 - HD3   PRO   52  13.65 +/- 4.71   4.945% *  0.1307% (0.76   1.0   0.02   0.02) =   0.009%
          QB    LYS+  81 - HD3   PRO   52  15.97 +/- 3.88   2.606% *  0.1174% (0.69   1.0   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HD3   PRO   52  18.04 +/- 3.65   2.525% *  0.1106% (0.65   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HD3   PRO   52  10.88 +/- 1.38   3.702% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HD3   PRO   52  23.01 +/- 3.53   0.899% *  0.1578% (0.92   1.0   0.02   0.02) =   0.002%
          HB    ILE  103 - HD3   PRO   52  25.63 +/- 3.47   0.544% *  0.1650% (0.97   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD3   PRO   52  23.51 +/- 2.86   0.425% *  0.1676% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HD3   PRO   52  24.05 +/- 2.55   0.356% *  0.0968% (0.57   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  28.62 +/- 2.12   0.198% *  0.1428% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.96 +/- 2.70   0.424% *  0.0528% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.43 +/- 1.25   0.306% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  32.18 +/- 2.26   0.146% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.08, residual support = 55.1:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.01  98.118% * 99.2993% (0.61   6.08  55.08) =  99.996%  kept
          HN    LEU   80 - HD3   PRO   52  17.18 +/- 3.70   1.391% *  0.2023% (0.38   0.02   0.02) =   0.003%
          HN    THR   26 - HD3   PRO   52  27.69 +/- 4.50   0.308% *  0.3486% (0.65   0.02   0.02) =   0.001%
          HN    ALA   34 - HD3   PRO   52  30.12 +/- 2.04   0.183% *  0.1498% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.57, residual support = 13.7:
          HN    GLY   51 - HD3   PRO   52   2.81 +/- 0.85  99.129% * 99.4765% (0.92   3.57  13.68) =  99.995%  kept
          HN    VAL  107 - HD3   PRO   52  18.07 +/- 3.06   0.871% *  0.5235% (0.87   0.02   0.02) =   0.005%
    Distance limit 4.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 1.67, residual support = 1.84:
          HN    ARG+  54 - HD2   PRO   52   4.42 +/- 0.28  67.910% * 83.2667% (0.61   1.76   1.93) =  93.931%  kept
          HN    PHE   55 - HD2   PRO   52   5.99 +/- 0.36  27.551% * 13.0881% (0.73   0.23   0.41) =   5.990%  kept
          HN    ASP-  62 - HD2   PRO   52  14.36 +/- 1.81   2.481% *  1.4408% (0.92   0.02   0.02) =   0.059%
          HN    ALA   88 - HD2   PRO   52  17.79 +/- 3.50   1.489% *  0.3892% (0.25   0.02   0.02) =   0.010%
          HN    LEU   31 - HD2   PRO   52  26.60 +/- 2.80   0.356% *  1.5063% (0.97   0.02   0.02) =   0.009%
          HN    LYS+  38 - HD2   PRO   52  30.65 +/- 1.30   0.214% *  0.3089% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.56 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 55.1:
          HN    CYS   53 - HD2   PRO   52   2.28 +/- 0.02  99.456% * 99.4796% (0.61   8.20  55.08) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  16.23 +/- 3.58   0.398% *  0.1502% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  26.40 +/- 4.47   0.093% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.63 +/- 2.09   0.053% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.922, support = 1.49, residual support = 7.99:
          QB    CYS   50 - HB3   CYS   53   4.02 +/- 0.83  75.118% * 96.8384% (0.92   1.50   8.02) =  99.628%  kept
          QE    LYS+  74 - HB3   CYS   53  10.31 +/- 3.23  16.344% *  1.3272% (0.95   0.02   0.02) =   0.297%  kept
          HB3   ASP-  78 - HB3   CYS   53  13.00 +/- 3.52   5.095% *  0.7943% (0.57   0.02   0.02) =   0.055%
          HB3   ASN   69 - HB3   CYS   53  20.55 +/- 3.34   1.008% *  0.7943% (0.57   0.02   0.02) =   0.011%
          HB2   PHE   72 - HB3   CYS   53  15.36 +/- 2.60   2.435% *  0.2457% (0.18   0.02   0.02) =   0.008%
    Distance limit 4.17 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.02:
        T QB    CYS   50 - HB2   CYS   53   3.38 +/- 0.81  85.368% * 99.6254% (0.92 10.00   1.50   8.02) =  99.983%  kept
          QE    LYS+  74 - HB2   CYS   53  10.84 +/- 3.57   8.909% *  0.1291% (0.90  1.00   0.02   0.02) =   0.014%
          HB2   PHE   72 - HB2   CYS   53  16.14 +/- 2.76   1.380% *  0.0815% (0.57  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  13.22 +/- 3.76   3.714% *  0.0252% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HB2   CYS   53  21.21 +/- 3.43   0.629% *  0.1389% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.935, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.98 +/- 1.42  74.360% * 41.1882% (0.95 10.00   0.02   0.02) =  96.591%  kept
          QB    ALA   91 - HA    CYS   53   9.83 +/- 2.65   9.763% *  3.9049% (0.90  1.00   0.02   0.02) =   1.202%  kept
        T HG13  ILE   19 - HA    CYS   53  22.20 +/- 4.56   1.108% * 24.6510% (0.57 10.00   0.02   0.02) =   0.861%  kept
        T HG    LEU   71 - HA    CYS   53  20.66 +/- 2.88   1.156% * 13.4389% (0.31 10.00   0.02   0.02) =   0.490%  kept
          HG2   LYS+  74 - HA    CYS   53  13.21 +/- 3.10   8.691% *  1.4852% (0.34  1.00   0.02   0.02) =   0.407%  kept
          QG2   THR   39 - HA    CYS   53  20.50 +/- 1.58   1.082% *  3.9049% (0.90  1.00   0.02   0.02) =   0.133%  kept
          QB    ALA   34 - HA    CYS   53  20.18 +/- 1.50   1.181% *  3.4865% (0.80  1.00   0.02   0.02) =   0.130%  kept
          QG2   THR   23 - HA    CYS   53  20.31 +/- 3.79   1.419% *  1.9521% (0.45  1.00   0.02   0.02) =   0.087%
          HG3   LYS+  38 - HA    CYS   53  29.04 +/- 2.16   0.398% *  4.3541% (1.00  1.00   0.02   0.02) =   0.055%
          HG3   LYS+  99 - HA    CYS   53  25.01 +/- 2.36   0.844% *  1.6341% (0.38  1.00   0.02   0.02) =   0.043%
    Distance limit 3.37 A violated in 6 structures by 0.95 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.77, residual support = 44.1:
      O   HN    CYS   53 - HA    CYS   53   2.73 +/- 0.05  99.079% * 99.7861% (0.61  10.0   4.77  44.06) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  16.53 +/- 2.99   0.613% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  24.56 +/- 3.98   0.183% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.75 +/- 2.00   0.126% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.91, residual support = 44.1:
      O   HN    CYS   53 - HB2   CYS   53   2.37 +/- 0.27  99.362% * 99.7861% (0.61  10.0   4.91  44.06) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  15.77 +/- 2.78   0.436% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  24.39 +/- 3.87   0.118% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  26.02 +/- 2.02   0.084% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.956, support = 5.48, residual support = 31.3:
          HN    ARG+  54 - HB2   CYS   53   3.35 +/- 0.33  75.467% * 94.2984% (0.97   5.55  31.76) =  98.566%  kept
          HN    PHE   55 - HB2   CYS   53   5.19 +/- 0.18  21.096% *  4.8530% (0.31   0.89   0.02) =   1.418%  kept
          HN    ASP-  62 - HB2   CYS   53  11.22 +/- 2.25   3.030% *  0.3332% (0.95   0.02   0.02) =   0.014%
          HN    LEU   31 - HB2   CYS   53  24.20 +/- 2.55   0.257% *  0.3159% (0.90   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   CYS   53  27.93 +/- 1.67   0.150% *  0.1994% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 5.55, residual support = 31.8:
          HN    ARG+  54 - HB3   CYS   53   3.90 +/- 0.40  90.741% * 99.2003% (0.87   5.55  31.76) =  99.977%  kept
          HN    ASP-  62 - HB3   CYS   53  10.42 +/- 2.23   8.412% *  0.2169% (0.53   0.02   0.02) =   0.020%
          HN    LYS+  38 - HB3   CYS   53  27.19 +/- 1.76   0.310% *  0.3979% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYS   53  23.49 +/- 2.79   0.537% *  0.1849% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 170.6:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.91 +/- 0.22  83.574% * 99.2847% (0.87  10.0 10.00   4.98 170.76) =  99.892%  kept
          QB    ALA   57 - HD2   ARG+  54   6.74 +/- 1.98  15.225% *  0.5872% (0.20   1.0  1.00   0.52   0.02) =   0.108%  kept
          HD3   LYS+ 111 - HD2   ARG+  54  16.66 +/- 3.06   0.885% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  23.06 +/- 2.37   0.200% *  0.0513% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  27.46 +/- 2.96   0.117% *  0.0513% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.64, residual support = 170.1:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  95.383% * 81.0110% (0.87  10.0 10.00   3.64 170.76) =  99.566%  kept
          HB3   CYS   53 - HD3   ARG+  54   7.80 +/- 0.99   1.442% * 12.0854% (0.80   1.0  1.00   3.23  31.76) =   0.225%  kept
          QB    PHE   55 - HD3   ARG+  54   6.68 +/- 0.79   2.395% *  6.7708% (0.49   1.0  1.00   2.98   4.05) =   0.209%  kept
          HD3   PRO   93 - HD3   ARG+  54  12.72 +/- 2.82   0.436% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  19.85 +/- 4.04   0.116% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  13.69 +/- 1.41   0.228% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.64, residual support = 170.8:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.938% * 99.9131% (1.00  10.0 10.00   3.64 170.76) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  25.13 +/- 5.26   0.062% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.73, residual support = 170.8:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.57 +/- 0.23  89.922% * 99.8484% (0.87  10.0 10.00   3.73 170.76) =  99.997%  kept
          QB    ALA   57 - HD3   ARG+  54   7.16 +/- 2.08   9.352% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD3   ARG+  54  17.28 +/- 2.82   0.423% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  23.20 +/- 2.71   0.202% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  27.59 +/- 3.52   0.101% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.89, residual support = 170.7:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.68 +/- 0.31  74.233% * 97.6350% (0.49  10.0 10.00   3.89 170.76) =  99.943%  kept
          QB    LYS+  81 - HD3   ARG+  54  18.83 +/- 5.47  16.413% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.036%
          HB    ILE   56 - HD3   ARG+  54   9.81 +/- 0.87   1.735% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HD3   ARG+  54  19.61 +/- 4.26   1.962% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   58 - HD3   ARG+  54  11.70 +/- 3.14   3.204% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HD3   ARG+  54  21.32 +/- 4.27   0.306% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HD3   ARG+  54  15.21 +/- 3.98   0.904% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HD3   ARG+  54  17.93 +/- 4.90   0.687% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   ARG+  54  23.41 +/- 3.91   0.196% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  27.16 +/- 4.40   0.149% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  27.05 +/- 3.53   0.080% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  31.64 +/- 4.57   0.065% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  28.29 +/- 3.35   0.068% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 170.7:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.40 +/- 0.49  77.114% * 99.0727% (0.73  10.0   4.03 170.76) =  99.971%  kept
          HB    VAL  108 - HD3   ARG+  54  19.46 +/- 4.61  16.038% *  0.1092% (0.80   1.0   0.02   0.02) =   0.023%
          HB2   PRO   93 - HD3   ARG+  54  12.73 +/- 2.30   3.120% *  0.0561% (0.41   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HD3   ARG+  54  17.35 +/- 2.13   1.075% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HD3   ARG+  54  16.20 +/- 2.17   0.987% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD3   ARG+  54  22.14 +/- 4.43   0.467% *  0.0883% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   ARG+  54  27.04 +/- 3.59   0.226% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  27.81 +/- 4.05   0.219% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.18 +/- 3.77   0.111% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  27.11 +/- 4.68   0.229% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  26.78 +/- 3.63   0.215% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  30.00 +/- 4.75   0.197% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 170.7:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  86.455% * 97.1361% (0.92  10.0 10.00   4.97 170.76) =  99.984%  kept
          QB    LYS+  81 - HG3   ARG+  54  18.92 +/- 5.29   9.150% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.011%
          QB    LYS+ 106 - HG3   ARG+  54  19.27 +/- 4.19   1.556% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HG3   ARG+  54  20.99 +/- 4.40   0.109% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   ARG+  54   8.97 +/- 0.94   0.721% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  28.04 +/- 3.30   0.025% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.13 +/- 1.07   1.179% *  0.0208% (0.20   1.0  1.00   0.02   1.93) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  18.03 +/- 4.32   0.153% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.93 +/- 4.03   0.157% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  20.64 +/- 3.00   0.072% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.74 +/- 4.34   0.081% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  15.03 +/- 3.66   0.289% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  31.34 +/- 4.86   0.023% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  26.77 +/- 3.54   0.031% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 170.7:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.57 +/- 0.25  89.418% * 97.7423% (0.31  10.0   5.12 170.76) =  99.984%  kept
          HB    VAL  108 - HG3   ARG+  54  19.10 +/- 4.41   8.106% *  0.1189% (0.38   1.0   0.02   0.02) =   0.011%
          HB2   LYS+ 111 - HG3   ARG+  54  15.77 +/- 1.74   0.462% *  0.2420% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG3   ARG+  54  21.82 +/- 4.49   0.326% *  0.3104% (0.98   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   ARG+  54  16.79 +/- 2.13   0.472% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   ARG+  54  15.60 +/- 1.75   0.537% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  27.58 +/- 3.85   0.103% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  26.78 +/- 3.63   0.117% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  26.72 +/- 4.46   0.100% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  26.46 +/- 3.44   0.098% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.84 +/- 3.86   0.064% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  29.75 +/- 4.64   0.077% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  24.99 +/- 3.54   0.121% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.7:
      O   HA    ARG+  54 - HG3   ARG+  54   3.39 +/- 0.51  80.711% * 99.5710% (1.00  10.0   5.75 170.76) =  99.985%  kept
          HA    LYS+  81 - HG3   ARG+  54  19.86 +/- 5.16  16.893% *  0.0644% (0.65   1.0   0.02   0.02) =   0.014%
          HA    LEU  115 - HG3   ARG+  54  15.98 +/- 1.74   0.970% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   ARG+  54  26.29 +/- 2.61   0.197% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  27.77 +/- 3.92   0.195% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  17.93 +/- 2.04   0.667% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.38 +/- 3.27   0.150% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  34.55 +/- 3.70   0.093% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  32.23 +/- 3.97   0.123% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.73, residual support = 170.8:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.57 +/- 0.23  99.758% * 99.9462% (0.76  10.0 10.00   3.73 170.76) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  25.12 +/- 5.39   0.242% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.859, support = 4.94, residual support = 165.2:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.91 +/- 0.22  74.795% * 77.1033% (0.87  10.0 10.00   4.98 170.76) =  96.410%  kept
          QB    PHE   55 - HG3   ARG+  54   5.81 +/- 0.96  15.494% *  7.9734% (0.49   1.0  1.00   3.69   4.05) =   2.065%  kept
          HB3   CYS   53 - HG3   ARG+  54   7.12 +/- 0.91   6.155% * 14.7969% (0.80   1.0  1.00   4.16  31.76) =   1.522%  kept
          HD3   PRO   93 - HG3   ARG+  54  12.41 +/- 2.80   1.966% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HG3   ARG+  54  19.56 +/- 4.19   0.580% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  13.03 +/- 1.29   1.009% *  0.0222% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.74, residual support = 170.7:
          HN    ARG+  54 - HG3   ARG+  54   3.91 +/- 0.63  93.625% * 99.3413% (0.87   6.74 170.76) =  99.987%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.53 +/- 2.40   5.693% *  0.1787% (0.53   0.02   0.02) =   0.011%
          HN    LYS+  38 - HG3   ARG+  54  31.39 +/- 3.97   0.284% *  0.3278% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   ARG+  54  27.85 +/- 3.66   0.398% *  0.1523% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 170.8:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  91.905% * 98.1061% (0.87  10.0 10.00   4.97 170.76) =  99.995%  kept
        T HB3   LEU  123 - HG3   PRO   68  14.76 +/- 6.47   0.976% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   ARG+  54   6.01 +/- 1.83   5.782% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   PRO   68  15.31 +/- 4.03   0.644% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.48 +/- 2.87   0.204% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   ARG+  54 - HG3   PRO   68  20.99 +/- 4.40   0.115% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  22.14 +/- 2.52   0.055% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.61 +/- 3.35   0.032% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  24.27 +/- 2.84   0.039% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  13.75 +/- 2.02   0.248% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.159, support = 3.29, residual support = 36.2:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  73.107% * 33.8555% (0.12  10.0  1.00   2.31  36.16) =  61.886%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.63 +/- 0.30  24.164% * 63.0750% (0.22  10.0  1.00   4.89  36.16) =  38.108%  kept
          HB2   LYS+ 111 - HG2   ARG+  54  15.28 +/- 2.24   0.142% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   PRO   68  14.38 +/- 5.92   0.511% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  15.08 +/- 2.09   0.172% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   PRO   68  15.37 +/- 5.96   0.239% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  25.97 +/- 3.32   0.028% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  21.17 +/- 3.71   0.063% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  20.48 +/- 3.68   0.085% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.35 +/- 3.98   0.241% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  26.02 +/- 4.78   0.028% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  25.83 +/- 3.53   0.026% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.23 +/- 1.85   0.108% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  16.53 +/- 3.66   0.136% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  29.06 +/- 4.55   0.021% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  24.21 +/- 3.69   0.034% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  23.92 +/- 5.27   0.071% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  14.10 +/- 4.36   0.304% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  15.94 +/- 3.79   0.277% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.47 +/- 2.58   0.076% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  26.78 +/- 3.67   0.025% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.41 +/- 2.95   0.041% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  19.51 +/- 3.64   0.084% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.11 +/- 3.42   0.015% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.739, support = 4.89, residual support = 142.7:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.72 +/- 0.20  37.996% * 68.4259% (0.87  10.0 10.00   4.96 170.76) =  79.646%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.29  45.930% * 11.9174% (0.15  10.0  1.00   4.79  36.16) =  16.768%  kept
          QB    PHE   55 - HG2   ARG+  54   5.59 +/- 1.29   8.888% *  6.7468% (0.49   1.0  1.00   3.51   4.05) =   1.837%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.20 +/- 0.82   4.533% * 12.5700% (0.80   1.0  1.00   3.98  31.76) =   1.746%  kept
          HD3   PRO   93 - HG2   ARG+  54  11.89 +/- 3.00   1.040% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HG3   PRO   68  21.25 +/- 3.68   0.125% *  0.1826% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG2   ARG+  54  18.88 +/- 3.44   0.211% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  12.37 +/- 1.12   0.427% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  18.46 +/- 2.63   0.160% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  13.76 +/- 2.65   0.436% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.62 +/- 2.35   0.155% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.81 +/- 3.11   0.097% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 170.8:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.68 +/- 0.31  99.599% * 99.7339% (0.31  10.0 10.00   3.89 170.76) =  99.999%  kept
        T HD3   ARG+  54 - HG3   PRO   68  21.32 +/- 4.27   0.401% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.68, residual support = 170.6:
      O T HA    ARG+  54 - HG2   ARG+  54   2.66 +/- 0.65  81.547% * 97.8074% (1.00  10.0 10.00   5.69 170.76) =  99.912%  kept
        T HA    LYS+  81 - HG2   ARG+  54  19.35 +/- 4.95   9.610% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.076%
        T HA    LEU  115 - HG2   ARG+  54  15.30 +/- 1.96   0.726% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ARG+  54 - HG3   PRO   68  18.80 +/- 3.50   0.576% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU  115 - HG3   PRO   68  16.53 +/- 2.85   0.701% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  25.41 +/- 4.56   0.553% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   PRO   68  15.90 +/- 7.09   2.730% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   ARG+  54  25.73 +/- 2.20   0.130% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  18.70 +/- 4.96   0.664% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.38 +/- 2.38   0.564% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.89 +/- 3.19   0.788% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  27.00 +/- 3.70   0.117% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  18.42 +/- 4.03   0.413% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.58 +/- 2.70   0.100% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  33.77 +/- 3.10   0.063% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  31.51 +/- 3.53   0.084% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.92 +/- 3.62   0.279% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.16 +/- 3.25   0.353% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.65, residual support = 170.7:
          HN    ARG+  54 - HG2   ARG+  54   3.37 +/- 0.32  88.603% * 99.0767% (0.87   6.65 170.76) =  99.988%  kept
          HN    ASP-  62 - HG2   ARG+  54  11.74 +/- 1.86   2.961% *  0.1807% (0.53   0.02   0.02) =   0.006%
          HN    ASP-  62 - HG3   PRO   68  10.97 +/- 1.78   3.925% *  0.0482% (0.14   0.02   0.02) =   0.002%
          HN    LYS+  38 - HG3   PRO   68  15.51 +/- 2.91   1.504% *  0.0884% (0.26   0.02   0.02) =   0.002%
          HN    LEU   31 - HG3   PRO   68  17.05 +/- 4.31   1.993% *  0.0411% (0.12   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   PRO   68  20.18 +/- 3.09   0.646% *  0.0795% (0.23   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  30.60 +/- 3.34   0.145% *  0.3314% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  27.06 +/- 3.36   0.222% *  0.1540% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.901, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   6.09 +/- 1.51  57.517% * 19.4000% (0.97   0.02   0.02) =  70.015%  kept
          HD2   LYS+  74 - HB3   ARG+  54  15.65 +/- 3.65  15.812% * 14.5972% (0.73   0.02   0.02) =  14.482%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.74 +/- 2.71   6.666% * 19.7041% (0.98   0.02   0.02) =   8.242%  kept
          QD    LYS+  65 - HB3   ARG+  54  13.66 +/- 3.13  13.032% *  3.5205% (0.18   0.02   0.02) =   2.879%  kept
          HB3   LEU  123 - HB3   ARG+  54  22.18 +/- 2.43   1.662% * 19.4000% (0.97   0.02   0.02) =   2.023%  kept
          QD    LYS+  33 - HB3   ARG+  54  26.70 +/- 3.24   1.068% * 19.4000% (0.97   0.02   0.02) =   1.300%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  20.88 +/- 2.52   4.244% *  3.9782% (0.20   0.02   0.02) =   1.059%  kept
    Distance limit 3.15 A violated in 18 structures by 2.64 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.4, residual support = 170.8:
      O   HN    ARG+  54 - HB3   ARG+  54   2.81 +/- 0.69  96.510% * 99.7769% (0.87  10.0   5.40 170.76) =  99.998%  kept
          HN    ASP-  62 - HB3   ARG+  54  11.96 +/- 2.14   3.159% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB3   ARG+  54  30.65 +/- 3.48   0.139% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  27.01 +/- 3.32   0.192% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.65, residual support = 170.8:
      O   HN    ARG+  54 - HB2   ARG+  54   2.70 +/- 0.56  94.121% * 99.6984% (0.87  10.0   6.65 170.76) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.24 +/- 1.76   1.510% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   GLU-  14  16.65 +/- 3.51   0.828% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  30.96 +/- 3.12   0.085% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  14.60 +/- 3.30   1.051% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  27.34 +/- 3.25   0.152% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  21.56 +/- 4.54   0.667% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  20.84 +/- 3.85   0.412% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  19.73 +/- 4.43   0.577% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  25.19 +/- 6.26   0.331% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  29.43 +/- 3.45   0.115% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  32.86 +/- 7.02   0.152% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.25, support = 1.45, residual support = 27.2:
          QE    PHE   59 - HA    LEU  115   2.84 +/- 1.07  59.801% * 69.2654% (0.25   1.50  28.10) =  96.227%  kept
          QD    PHE   60 - HA    LEU  115   8.27 +/- 1.89   6.888% * 10.4530% (0.17   0.32   0.02) =   1.673%  kept
          QD    PHE   60 - HA    ARG+  54   8.31 +/- 2.35  14.806% *  2.1221% (0.57   0.02   0.02) =   0.730%  kept
          QE    PHE   59 - HA    ARG+  54  11.21 +/- 2.31   7.628% *  3.0014% (0.80   0.02   0.02) =   0.532%  kept
          HN    PHE   59 - HA    LEU  115   8.07 +/- 1.46   3.001% *  7.5904% (0.13   0.32  28.10) =   0.529%  kept
          HN    PHE   59 - HA    ARG+  54   8.67 +/- 1.09   4.603% *  1.5410% (0.41   0.02   0.02) =   0.165%  kept
          HN    LYS+  66 - HA    ARG+  54  14.17 +/- 2.46   1.146% *  3.6740% (0.98   0.02   0.02) =   0.098%
          HN    LYS+  81 - HA    ARG+  54  19.60 +/- 4.04   1.108% *  0.9346% (0.25   0.02   0.02) =   0.024%
          HN    LYS+  66 - HA    LEU  115  14.16 +/- 1.96   0.813% *  1.1305% (0.30   0.02   0.02) =   0.021%
          HN    LYS+  81 - HA    LEU  115  22.15 +/- 2.54   0.205% *  0.2876% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 6.18, residual support = 148.6:
      O   HN    ARG+  54 - HA    ARG+  54   2.74 +/- 0.05  63.752% * 75.5578% (0.97  10.0   6.63 170.76) =  86.717%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.51 +/- 0.06  30.524% * 24.1648% (0.31  10.0   3.27   4.05) =  13.279%  kept
          HN    ASP-  62 - HA    ARG+  54  10.00 +/- 1.68   1.788% *  0.0741% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - HA    LEU  115  10.57 +/- 1.54   2.140% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  14.14 +/- 1.55   0.533% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  25.36 +/- 3.17   0.100% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.66 +/- 1.53   0.753% *  0.0074% (0.09   1.0   0.02   2.36) =   0.000%
          HN    LEU   31 - HA    LEU  115  20.18 +/- 2.79   0.213% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  28.83 +/- 3.10   0.064% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  22.29 +/- 2.41   0.133% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 4.31, residual support = 20.9:
          HN    ILE   56 - QB    PHE   55   3.08 +/- 0.45  83.109% * 93.6002% (0.57   4.33  20.94) =  99.590%  kept
          QE    PHE   60 - QB    PHE   55   9.36 +/- 2.71   8.344% *  2.4072% (0.25   0.25   0.02) =   0.257%  kept
          HN    LYS+ 111 - QB    PHE   55   9.12 +/- 2.34   5.380% *  1.9231% (0.22   0.23   0.02) =   0.132%  kept
          HN    LEU   63 - QB    PHE   55  12.06 +/- 0.94   1.677% *  0.5246% (0.69   0.02   0.02) =   0.011%
          HZ2   TRP   87 - QB    PHE   55  19.32 +/- 3.67   0.551% *  0.6379% (0.84   0.02   0.02) =   0.005%
          HD21  ASN   28 - QB    PHE   55  23.35 +/- 3.55   0.329% *  0.7370% (0.97   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  17.55 +/- 3.32   0.609% *  0.1700% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 20.4:
      O   HN    PHE   55 - QB    PHE   55   2.08 +/- 0.12  88.942% * 87.1326% (0.73  10.0   3.02  20.70) =  98.401%  kept
          HN    ARG+  54 - QB    PHE   55   4.32 +/- 0.23   9.996% * 12.5872% (0.61   1.0   3.46   4.05) =   1.598%  kept
          HN    ASP-  62 - QB    PHE   55  10.69 +/- 1.14   0.778% *  0.1108% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.96 +/- 2.32   0.066% *  0.1158% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.45 +/- 3.29   0.177% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.98 +/- 1.89   0.042% *  0.0237% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.40 +/- 2.02  65.604% * 36.5548% (0.90   0.02   0.02) =  74.843%  kept
          HN    LYS+  81 - QB    PHE   55  18.63 +/- 3.45  12.242% * 40.3993% (0.99   0.02   0.02) =  15.435%  kept
          HN    LYS+  66 - QB    PHE   55  14.92 +/- 1.39  16.450% * 16.7569% (0.41   0.02   0.02) =   8.603%  kept
          HE3   TRP   27 - QB    PHE   55  20.79 +/- 2.26   5.703% *  6.2891% (0.15   0.02   0.02) =   1.119%  kept
    Distance limit 3.31 A violated in 20 structures by 4.90 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.254, support = 5.85, residual support = 121.5:
      O   HN    ILE   56 - HB    ILE   56   3.31 +/- 0.44  75.625% * 91.3813% (0.25  10.0   5.93 123.21) =  98.596%  kept
          QE    PHE   60 - HB    ILE   56   8.38 +/- 2.34  12.380% *  7.7805% (0.57   1.0   0.75   4.30) =   1.374%  kept
          HN    LEU   63 - HB    ILE   56   9.69 +/- 2.03   9.312% *  0.1250% (0.34   1.0   0.02   0.02) =   0.017%
          HD21  ASN   28 - HB    ILE   56  23.00 +/- 4.11   2.097% *  0.3467% (0.95   1.0   0.02   0.02) =   0.010%
          HZ2   TRP   87 - HB    ILE   56  19.48 +/- 3.88   0.585% *  0.3665% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.506, support = 2.27, residual support = 16.3:
          QD    PHE   55 - HB    ILE   56   4.00 +/- 0.99  59.713% * 61.5125% (0.41   2.72  20.94) =  77.643%  kept
          QE    PHE   95 - HB    ILE   56   5.73 +/- 1.61  30.580% * 34.3072% (0.84   0.75   0.37) =  22.177%  kept
          HN    LEU   67 - HB    ILE   56  14.28 +/- 2.37   4.722% *  1.0923% (0.99   0.02   0.02) =   0.109%  kept
          HD1   TRP   49 - HB    ILE   56  13.99 +/- 1.78   2.047% *  0.8422% (0.76   0.02   0.02) =   0.036%
          HN    THR   23 - HB    ILE   56  21.63 +/- 3.47   0.662% *  0.9560% (0.87   0.02   0.02) =   0.013%
          HD2   HIS   22 - HB    ILE   56  21.78 +/- 4.48   0.713% *  0.6684% (0.61   0.02   0.02) =   0.010%
          HE3   TRP   27 - HB    ILE   56  19.68 +/- 2.33   1.084% *  0.3759% (0.34   0.02   0.02) =   0.009%
          HD21  ASN   35 - HB    ILE   56  27.88 +/- 3.61   0.478% *  0.2454% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.58, residual support = 123.2:
      O T QD1   ILE   56 - HB    ILE   56   2.63 +/- 0.46  84.257% * 99.4902% (0.87  10.0 10.00   4.58 123.21) =  99.983%  kept
          QD2   LEU   73 - HB    ILE   56  13.00 +/- 4.25  13.307% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.011%
        T QD2   LEU  123 - HB    ILE   56  13.26 +/- 2.44   1.411% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+ 121 - HB    ILE   56  16.18 +/- 1.69   0.609% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  22.29 +/- 3.07   0.415% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 123.1:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  84.346% * 98.2187% (0.87  10.0 10.00   4.02 123.21) =  99.875%  kept
        T QD2   LEU   73 - QG1   ILE   56  10.52 +/- 3.76  14.607% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.121%  kept
        T HG3   LYS+ 121 - QG1   ILE   56  13.26 +/- 1.35   0.305% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - QG1   ILE   56  10.89 +/- 1.56   0.593% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.70 +/- 2.52   0.148% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.01, residual support = 123.2:
        T QG2   ILE   56 - QD1   ILE   56   2.45 +/- 0.63  92.095% * 98.5057% (0.72 10.00   5.01 123.21) =  99.990%  kept
        T QB    ALA   34 - QD1   ILE   56  15.35 +/- 1.66   0.507% *  1.1899% (0.87 10.00   0.02   0.02) =   0.007%
          QG2   THR   77 - QD1   ILE   56   8.98 +/- 2.38   3.826% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD1   ILE   56  10.27 +/- 1.56   2.307% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD1   ILE   56  16.69 +/- 2.81   0.666% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.56 +/- 1.77   0.440% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.22 +/- 2.64   0.160% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.881, support = 2.02, residual support = 1.83:
          QB    ALA   61 - QD1   ILE   56   5.67 +/- 1.49  23.638% * 53.5510% (0.94  1.00   2.22   2.11) =  60.821%  kept
          QB    ALA  110 - QD1   ILE   56   5.84 +/- 2.41  18.361% * 39.8529% (0.85  1.00   1.84   1.56) =  35.158%  kept
          HB3   LEU  115 - QD1   ILE   56   4.55 +/- 1.90  30.395% *  2.4085% (0.21  1.00   0.45   0.02) =   3.517%  kept
          HG    LEU   73 - QD1   ILE   56  12.80 +/- 4.70   9.858% *  0.3315% (0.65  1.00   0.02   0.02) =   0.157%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.46 +/- 1.81   2.183% *  1.3419% (0.26 10.00   0.02   0.02) =   0.141%  kept
          QG    LYS+  66 - QD1   ILE   56  10.60 +/- 1.52   2.572% *  0.4186% (0.82  1.00   0.02   0.02) =   0.052%
          HB3   LEU   67 - QD1   ILE   56  11.93 +/- 1.81   1.946% *  0.4731% (0.93  1.00   0.02   0.02) =   0.044%
          HG12  ILE   19 - QD1   ILE   56  17.22 +/- 2.91   2.247% *  0.4031% (0.79  1.00   0.02   0.02) =   0.044%
          HG    LEU   80 - QD1   ILE   56  16.46 +/- 3.07   0.944% *  0.4455% (0.87  1.00   0.02   0.02) =   0.020%
          HB3   LYS+  74 - QD1   ILE   56  12.25 +/- 2.74   2.965% *  0.1203% (0.24  1.00   0.02   0.02) =   0.017%
          HB2   LEU   80 - QD1   ILE   56  15.83 +/- 2.87   1.114% *  0.1984% (0.39  1.00   0.02   0.02) =   0.011%
          HG    LEU   67 - QD1   ILE   56  12.74 +/- 2.02   2.519% *  0.0745% (0.15  1.00   0.02   0.02) =   0.009%
          HG    LEU   40 - QD1   ILE   56  14.51 +/- 1.90   0.986% *  0.1075% (0.21  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - QD1   ILE   56  20.84 +/- 2.52   0.271% *  0.2732% (0.54  1.00   0.02   0.02) =   0.004%
    Distance limit 3.24 A violated in 2 structures by 0.50 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.02, residual support = 123.2:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  94.294% * 98.9931% (0.85  10.0 10.00   4.02 123.21) =  99.986%  kept
        T HB2   LEU   73 - QD1   ILE   56  12.75 +/- 4.03   1.779% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.012%
          QD    LYS+ 106 - QD1   ILE   56  12.13 +/- 2.72   0.721% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   ILE   56   9.30 +/- 2.40   1.299% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   ILE   56   8.97 +/- 1.77   1.267% *  0.0341% (0.29   1.0  1.00   0.02   1.77) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.12 +/- 1.51   0.171% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.72 +/- 2.31   0.338% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.54 +/- 1.65   0.132% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.55, residual support = 122.0:
      O T HB    ILE   56 - QD1   ILE   56   2.63 +/- 0.46  83.940% * 89.6403% (0.72  10.0 10.00   4.58 123.21) =  99.028%  kept
          HB3   PRO   58 - QD1   ILE   56   6.27 +/- 0.73   8.267% *  8.8209% (0.85   1.0  1.00   1.68   0.02) =   0.960%  kept
        T HB3   GLN   30 - QD1   ILE   56  17.82 +/- 2.01   0.429% *  1.1626% (0.94   1.0 10.00   0.02   0.02) =   0.007%
          HB2   MET   92 - QD1   ILE   56  10.19 +/- 2.28   2.213% *  0.1163% (0.94   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - QD1   ILE   56  10.89 +/- 2.55   1.853% *  0.0400% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   ILE   56  15.48 +/- 3.20   1.631% *  0.0362% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  21.02 +/- 2.78   0.314% *  0.1052% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  15.15 +/- 2.15   0.582% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  24.81 +/- 6.06   0.465% *  0.0261% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.08 +/- 1.92   0.307% *  0.0232% (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 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.65, residual support = 7.15:
        T HA    LYS+ 112 - QD1   ILE   56   4.53 +/- 1.88  61.398% * 99.8334% (0.79 10.00   1.65   7.16) =  99.962%  kept
          HB2   HIS  122 - QD1   ILE   56  11.63 +/- 1.81  16.864% *  0.0818% (0.54  1.00   0.02   0.02) =   0.023%
          HB    THR   46 - QD1   ILE   56   8.32 +/- 2.09  17.185% *  0.0446% (0.29  1.00   0.02   0.02) =   0.013%
          HB2   HIS   22 - QD1   ILE   56  18.29 +/- 4.01   4.554% *  0.0402% (0.26  1.00   0.02   0.02) =   0.003%
    Distance limit 3.27 A violated in 8 structures by 1.42 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.821, support = 3.07, residual support = 14.1:
          HA    PHE   55 - QD1   ILE   56   5.05 +/- 1.13  42.086% * 64.4319% (0.76   3.83  20.94) =  64.645%  kept
          HA    ALA  110 - QD1   ILE   56   6.45 +/- 3.30  42.527% * 34.8155% (0.94   1.67   1.56) =  35.297%  kept
          HA    VAL  107 - QD1   ILE   56   9.09 +/- 2.77   9.055% *  0.1575% (0.36   0.02   0.02) =   0.034%
          HA    GLN   90 - QD1   ILE   56  14.48 +/- 2.02   1.307% *  0.3970% (0.89   0.02   0.02) =   0.012%
          HA    ALA   91 - QD1   ILE   56  12.14 +/- 1.94   2.448% *  0.1047% (0.24   0.02   0.02) =   0.006%
          HA    VAL   42 - QD1   ILE   56  11.87 +/- 2.08   2.576% *  0.0934% (0.21   0.02   0.02) =   0.006%
    Distance limit 3.15 A violated in 0 structures by 0.66 A, kept.
 
    Peak 2692 (6.90, 0.79, 56.43 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56   9.53 +/- 1.67 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.45 A violated in 20 structures by 6.08 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.293, support = 1.55, residual support = 20.1:
          HN    PHE   59 - QD1   ILE   56   4.05 +/- 0.39  91.716% * 93.0521% (0.29   1.55  20.17) =  99.669%  kept
          HN    HIS  122 - QD1   ILE   56  10.87 +/- 1.51   6.210% *  3.3659% (0.82   0.02   0.02) =   0.244%  kept
          HH2   TRP   87 - QD1   ILE   56  16.94 +/- 3.76   2.075% *  3.5820% (0.87   0.02   0.02) =   0.087%
    Distance limit 3.54 A violated in 0 structures by 0.54 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.54, residual support = 31.2:
          HN    ALA   57 - QD1   ILE   56   3.52 +/- 0.94  78.260% * 98.3425% (0.42   4.54  31.20) =  99.890%  kept
          HE21  GLN  116 - QD1   ILE   56   7.92 +/- 2.24  20.223% *  0.3626% (0.36   0.02   0.02) =   0.095%
          HE21  GLN   90 - QD1   ILE   56  16.56 +/- 2.14   1.087% *  0.9323% (0.91   0.02   0.02) =   0.013%
          HD21  ASN   35 - QD1   ILE   56  22.45 +/- 3.02   0.430% *  0.3626% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 1 structures by 0.21 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.294, support = 5.03, residual support = 100.0:
          HN    ILE   56 - QD1   ILE   56   3.65 +/- 0.98  57.230% * 64.8017% (0.24   5.93 123.21) =  80.460%  kept
          QE    PHE   60 - QD1   ILE   56   6.18 +/- 2.35  26.953% * 33.1927% (0.54   1.34   4.30) =  19.409%  kept
          HN    LEU   63 - QD1   ILE   56   7.35 +/- 1.27  13.506% *  0.2991% (0.32   0.02   0.02) =   0.088%
          HZ2   TRP   87 - QD1   ILE   56  16.36 +/- 3.64   1.672% *  0.8769% (0.95   0.02   0.02) =   0.032%
          HD21  ASN   28 - QD1   ILE   56  18.71 +/- 3.46   0.639% *  0.8295% (0.89   0.02   0.02) =   0.012%
    Distance limit 3.59 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.7, residual support = 7.12:
          HN    LYS+ 112 - QD1   ILE   56   5.70 +/- 1.92  61.157% * 97.3838% (0.50   1.71   7.16) =  99.511%  kept
          HN    ASP-  78 - QD1   ILE   56  12.76 +/- 2.18   7.556% *  1.3979% (0.61   0.02   0.02) =   0.176%  kept
          HN    MET   11 - QD1   ILE   56  24.73 +/- 6.57  14.218% *  0.7371% (0.32   0.02   0.02) =   0.175%  kept
          HN    VAL   75 - QD1   ILE   56  10.74 +/- 1.76  17.068% *  0.4811% (0.21   0.02   0.02) =   0.137%  kept
    Distance limit 3.79 A violated in 10 structures by 1.67 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 2.99, residual support = 20.1:
        T HB3   PHE   59 - QG1   ILE   56   3.15 +/- 0.72  84.239% * 98.7573% (0.38 10.00   3.00  20.17) =  99.765%  kept
          HB2   PHE   95 - QG1   ILE   56   7.84 +/- 1.85  15.761% *  1.2427% (0.57  1.00   0.17   0.37) =   0.235%  kept
    Distance limit 3.74 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.389, support = 2.7, residual support = 20.1:
        T HB2   PHE   59 - QG1   ILE   56   4.04 +/- 0.76  45.877% * 70.2291% (0.34 10.00   2.48  20.17) =  82.975%  kept
          QB    PHE   55 - QG1   ILE   56   5.20 +/- 0.83  25.056% * 24.8614% (0.61  1.00   3.98  20.94) =  16.042%  kept
          HB3   CYS   53 - QG1   ILE   56   6.81 +/- 1.24  12.278% *  1.8924% (0.90  1.00   0.20   0.02) =   0.598%  kept
          HD2   ARG+  54 - QG1   ILE   56   9.06 +/- 0.89   4.816% *  2.7262% (0.95  1.00   0.28   0.02) =   0.338%  kept
          HD3   PRO   93 - QG1   ILE   56   8.22 +/- 2.50   9.694% *  0.1495% (0.73  1.00   0.02   0.02) =   0.037%
          HD3   PRO   68 - QG1   ILE   56  13.11 +/- 2.18   2.279% *  0.1414% (0.69  1.00   0.02   0.02) =   0.008%
    Distance limit 4.16 A violated in 0 structures by 0.08 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   9.63 +/- 1.40 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.02 A violated in 20 structures by 5.61 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.2:
          QD    PHE   59 - QG1   ILE   56   3.37 +/- 0.79  93.838% * 96.4409% (0.34   1.97  20.17) =  99.920%  kept
          HN    HIS  122 - QG1   ILE   56  11.49 +/- 1.23   3.425% *  1.1810% (0.41   0.02   0.02) =   0.045%
          HH2   TRP   87 - QG1   ILE   56  17.69 +/- 3.23   1.260% *  1.3983% (0.49   0.02   0.02) =   0.019%
          HD1   TRP   27 - QG1   ILE   56  18.43 +/- 2.99   1.478% *  0.9799% (0.34   0.02   0.02) =   0.016%
    Distance limit 3.78 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.0, residual support = 123.0:
      O   HN    ILE   56 - HA    ILE   56   2.77 +/- 0.21  90.288% * 96.3508% (0.25  10.0   5.01 123.21) =  99.795%  kept
          QE    PHE   60 - HA    ILE   56   8.54 +/- 2.03   6.223% *  2.7654% (0.57   1.0   0.25   4.30) =   0.197%  kept
          HN    LEU   63 - HA    ILE   56   9.47 +/- 1.33   2.652% *  0.1318% (0.34   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - HA    ILE   56  23.71 +/- 3.91   0.503% *  0.3655% (0.95   1.0   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HA    ILE   56  20.51 +/- 3.67   0.334% *  0.3864% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 25.5:
        T HD2   PRO   58 - QB    ALA   57   2.37 +/- 0.64  73.436% * 98.8080% (0.95 10.00   5.07  25.51) =  99.978%  kept
          HB2   CYS   53 - QB    ALA   57   5.70 +/- 2.29  25.677% *  0.0356% (0.34  1.00   0.02   0.02) =   0.013%
        T HA    VAL   83 - QB    ALA   57  17.34 +/- 4.34   0.623% *  1.0238% (0.98 10.00   0.02   0.02) =   0.009%
          HA    GLU- 100 - QB    ALA   57  22.46 +/- 1.79   0.121% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.16 +/- 2.49   0.142% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.85, residual support = 24.1:
      O   HN    ALA   57 - QB    ALA   57   2.67 +/- 0.44  78.770% * 98.4865% (0.18  10.0   4.85  24.14) =  99.959%  kept
          HE21  GLN  116 - QB    ALA   57  10.59 +/- 3.46  18.433% *  0.1252% (0.22   1.0   0.02   0.02) =   0.030%
          HN    ALA  120 - QB    ALA   57  11.97 +/- 1.58   1.277% *  0.3184% (0.57   1.0   0.02   0.02) =   0.005%
          HN    ALA  124 - QB    ALA   57  16.19 +/- 1.39   0.417% *  0.4697% (0.84   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - QB    ALA   57  18.31 +/- 4.81   0.415% *  0.4084% (0.73   1.0   0.02   0.02) =   0.002%
          HN    LEU  123 - QB    ALA   57  13.87 +/- 1.32   0.688% *  0.1918% (0.34   1.0   0.02   0.02) =   0.002%
    Distance limit 2.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.45, residual support = 24.1:
      O   HN    ALA   57 - HA    ALA   57   2.67 +/- 0.22  94.306% * 99.6015% (0.57  10.0   4.45  24.14) =  99.993%  kept
          HE21  GLN  116 - HA    ALA   57  12.01 +/- 3.48   4.136% *  0.1138% (0.65   1.0   0.02   0.02) =   0.005%
          HN    ALA  120 - HA    ALA   57  13.29 +/- 1.25   0.913% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HN    ALA  124 - HA    ALA   57  18.61 +/- 1.27   0.309% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  21.35 +/- 6.33   0.336% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.1:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  75.991% * 98.9094% (0.53  10.0 10.00   2.81  24.14) =  99.985%  kept
          HG3   PRO   93 - HA    ALA   57   8.78 +/- 3.92  20.605% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.009%
          QD    LYS+  65 - HA    ALA   57   9.93 +/- 2.37   1.340% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HA    ALA   57  11.93 +/- 2.95   0.692% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    ALA   57  15.09 +/- 1.85   0.310% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    ALA   57  14.77 +/- 2.27   0.302% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.53 +/- 4.47   0.176% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  23.27 +/- 3.37   0.078% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  16.84 +/- 1.40   0.165% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  16.20 +/- 1.47   0.186% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.58 +/- 2.99   0.089% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.49 +/- 2.50   0.066% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.63, support = 0.02, residual support = 0.02:
          HN    SER   85 - HB2   PRO   58  24.57 +/- 6.01  14.223% * 29.9364% (0.80   0.02   0.02) =  29.487%  kept
          HN    GLN   32 - HB2   PRO   58  24.66 +/- 3.67  11.045% * 37.3861% (1.00   0.02   0.02) =  28.597%  kept
          HN    CYS   53 - HB2   PRO   58  12.39 +/- 1.83  50.246% *  5.7685% (0.15   0.02   0.02) =  20.072%  kept
          HN    LEU   80 - HB2   PRO   58  21.35 +/- 4.81  15.902% * 11.5391% (0.31   0.02   0.02) =  12.707%  kept
          HN    ALA   34 - HB2   PRO   58  23.88 +/- 2.62   8.584% * 15.3699% (0.41   0.02   0.02) =   9.136%  kept
    Distance limit 4.03 A violated in 20 structures by 7.67 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.61, support = 6.23, residual support = 39.8:
      O   HN    PHE   59 - HB3   PRO   58   3.72 +/- 0.50  74.114% * 89.6002% (0.61  10.0   6.29  39.78) =  98.565%  kept
          QE    PHE   59 - HB3   PRO   58   8.12 +/- 1.35   9.374% * 10.2277% (0.83   1.0   1.67  39.78) =   1.423%  kept
          HN    LYS+  66 - HB3   PRO   58  10.53 +/- 1.17   4.136% *  0.0943% (0.64   1.0   0.02   0.02) =   0.006%
          QD    PHE   60 - HB3   PRO   58   7.77 +/- 0.98   9.433% *  0.0343% (0.23   1.0   0.02   0.02) =   0.005%
          HN    HIS  122 - HB3   PRO   58  12.62 +/- 1.78   2.500% *  0.0244% (0.17   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB3   PRO   58  23.77 +/- 4.30   0.443% *  0.0190% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.9:
      O   HD2   PRO   58 - HG3   PRO   58   2.44 +/- 0.25  95.306% * 99.7269% (0.95  10.0   5.39 147.93) =  99.998%  kept
          HB2   CYS   53 - HG3   PRO   58  10.60 +/- 2.63   4.242% *  0.0360% (0.34   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   PRO   58  23.46 +/- 5.48   0.244% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.49 +/- 2.53   0.085% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  25.91 +/- 3.00   0.124% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.9:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  92.335% * 99.2991% (0.76  10.0   4.50 147.93) =  99.991%  kept
          HA    THR   46 - HG3   PRO   58  13.68 +/- 3.44   3.688% *  0.1254% (0.97   1.0   0.02   0.02) =   0.005%
          HA    GLN   17 - HG3   PRO   58  20.77 +/- 5.14   0.838% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  17.32 +/- 1.53   1.177% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   58  26.28 +/- 4.76   0.546% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  23.63 +/- 3.43   0.500% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  21.18 +/- 1.86   0.649% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  28.23 +/- 2.34   0.267% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.64, residual support = 25.5:
          HN    ALA   57 - HD2   PRO   58   2.55 +/- 1.11  77.441% * 98.6020% (0.54   5.64  25.51) =  99.877%  kept
          HE21  GLN  116 - HD2   PRO   58  10.72 +/- 3.73  18.603% *  0.3992% (0.61   0.02   0.02) =   0.097%
          HN    ALA  120 - HD2   PRO   58  12.50 +/- 1.55   3.002% *  0.5956% (0.91   0.02   0.02) =   0.023%
          HN    ALA  124 - HD2   PRO   58  17.87 +/- 2.00   0.664% *  0.2316% (0.36   0.02   0.02) =   0.002%
          HE21  GLN   17 - HD2   PRO   58  22.16 +/- 5.68   0.290% *  0.1716% (0.26   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.9:
      O   HA    PRO   58 - HD3   PRO   58   3.94 +/- 0.07  63.586% * 99.2639% (0.72  10.0   6.52 147.93) =  99.984%  kept
          HA    THR   46 - HD3   PRO   58  11.52 +/- 3.26   4.741% *  0.1254% (0.91   1.0   0.02   0.02) =   0.009%
          HA    GLN   17 - HD3   PRO   58  20.13 +/- 5.25   0.660% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  15.60 +/- 1.48   1.135% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  19.85 +/- 1.53   0.531% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68  13.18 +/- 7.49   7.686% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  23.03 +/- 3.41   0.379% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  25.67 +/- 4.23   0.360% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HD3   PRO   58  27.20 +/- 1.92   0.205% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  15.18 +/- 6.26   4.641% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.93 +/- 1.93   5.832% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  13.02 +/- 1.86   2.406% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.37 +/- 2.11   4.366% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.85 +/- 2.31   1.233% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  18.68 +/- 5.06   1.238% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.42 +/- 2.50   0.999% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 4.01, residual support = 25.5:
          HN    ALA   57 - HD3   PRO   58   2.56 +/- 0.95  78.302% * 97.9415% (0.54   4.02  25.51) =  99.887%  kept
          HE21  GLN  116 - HD3   PRO   58  10.10 +/- 3.18  11.494% *  0.5570% (0.61   0.02   0.02) =   0.083%
          HN    ALA  120 - HD3   PRO   58  11.77 +/- 0.90   2.214% *  0.8310% (0.91   0.02   0.02) =   0.024%
          HN    ALA  124 - HD3   PRO   58  17.31 +/- 1.48   0.633% *  0.3232% (0.36   0.02   0.02) =   0.003%
          HE21  GLN   17 - HD3   PRO   58  21.79 +/- 5.94   0.280% *  0.2394% (0.26   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   68  14.00 +/- 3.79   1.274% *  0.0368% (0.04   0.02   0.02) =   0.001%
          HE21  GLN   17 - HD2   PRO   68  15.13 +/- 7.26   2.379% *  0.0106% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  14.99 +/- 1.91   1.100% *  0.0216% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  16.68 +/- 3.69   0.927% *  0.0247% (0.03   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  14.61 +/- 5.86   1.396% *  0.0143% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.5:
          QB    ALA   57 - HD3   PRO   58   3.06 +/- 0.76  68.839% * 96.7335% (0.87   3.30  25.51) =  99.945%  kept
          HD3   LYS+ 111 - HD3   PRO   58  13.77 +/- 1.89   1.356% *  0.5698% (0.85   0.02   0.02) =   0.012%
          QD    LYS+  65 - HD3   PRO   58  10.79 +/- 1.33   2.417% *  0.3093% (0.46   0.02   0.02) =   0.011%
          HD2   LYS+  74 - HD3   PRO   58  13.99 +/- 2.13   1.179% *  0.6298% (0.94   0.02   0.02) =   0.011%
          HB3   LEU  123 - HD3   PRO   58  15.28 +/- 1.59   0.845% *  0.4110% (0.61   0.02   0.02) =   0.005%
          HB2   LYS+ 121 - HD3   PRO   58  14.17 +/- 1.11   1.035% *  0.3343% (0.50   0.02   0.02) =   0.005%
          HB    VAL   83 - HD3   PRO   58  20.08 +/- 4.49   0.515% *  0.2612% (0.39   0.02   0.02) =   0.002%
          QD    LYS+  33 - HD3   PRO   58  22.26 +/- 2.67   0.309% *  0.4110% (0.61   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   PRO   68  12.72 +/- 3.36   3.016% *  0.0279% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   8.54 +/- 1.37   6.125% *  0.0137% (0.02   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   68  14.55 +/- 3.50   4.124% *  0.0182% (0.03   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   68  14.58 +/- 5.12   3.150% *  0.0182% (0.03   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   68  13.48 +/- 4.27   2.957% *  0.0148% (0.02   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   PRO   68  12.83 +/- 1.78   1.644% *  0.0260% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  23.75 +/- 3.29   0.214% *  0.1767% (0.26   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD2   PRO   68  14.03 +/- 3.15   1.350% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  21.74 +/- 3.87   0.701% *  0.0116% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.17 +/- 2.43   0.225% *  0.0252% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 25.5:
        T QB    ALA   57 - HD2   PRO   58   2.37 +/- 0.64  94.593% * 97.4262% (0.87 10.00   5.07  25.51) =  99.976%  kept
        T HD2   LYS+  74 - HD2   PRO   58  14.34 +/- 2.36   0.917% *  1.0461% (0.94 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  65 - HD2   PRO   58  10.72 +/- 1.57   1.609% *  0.5137% (0.46 10.00   0.02   0.02) =   0.009%
        T HB    VAL   83 - HD2   PRO   58  20.39 +/- 4.58   0.403% *  0.4339% (0.39 10.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD2   PRO   58  14.23 +/- 2.37   1.013% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  24.32 +/- 3.62   0.124% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  15.87 +/- 2.13   0.525% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  14.94 +/- 1.47   0.622% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.79 +/- 2.69   0.194% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.7, residual support = 147.9:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.831% * 99.6708% (0.89  10.0 10.00   7.70 147.93) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   9.00 +/- 2.04   1.251% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  21.72 +/- 4.83   0.083% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  15.33 +/- 1.83   0.170% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.11 +/- 2.19   0.032% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  24.77 +/- 2.50   0.040% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  17.88 +/- 3.24   0.130% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  23.61 +/- 3.95   0.077% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.37 +/- 2.58   0.262% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  17.96 +/- 2.77   0.124% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.7, residual support = 147.9:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.445% * 99.5891% (0.95  10.0 10.00   7.70 147.93) =  99.999%  kept
          HA    ALA   61 - HD2   PRO   58   8.05 +/- 0.85   1.198% *  0.0446% (0.42   1.0  1.00   0.02   0.97) =   0.001%
        T HD2   PRO   68 - HD2   PRO   58  15.33 +/- 1.83   0.171% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.96 +/- 2.63   0.186% *  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 = 6.54, residual support = 39.8:
          HN    PHE   59 - HD2   PRO   58   3.51 +/- 0.62  84.389% * 86.2460% (0.69   6.65  39.78) =  97.658%  kept
          QE    PHE   59 - HD2   PRO   58   8.17 +/- 1.22  13.298% * 13.0656% (0.32   2.14  39.78) =   2.331%  kept
          HN    HIS  122 - HD2   PRO   58  14.17 +/- 1.54   1.624% *  0.3503% (0.93   0.02   0.02) =   0.008%
          HH2   TRP   87 - HD2   PRO   58  22.26 +/- 4.27   0.689% *  0.3381% (0.89   0.02   0.02) =   0.003%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.2:
        T QG1   ILE   56 - HB3   PHE   59   3.15 +/- 0.72  98.381% * 99.6917% (0.53 10.00   3.00  20.17) =  99.997%  kept
          HB    ILE   89 - HB3   PHE   59  18.26 +/- 2.67   0.862% *  0.1857% (0.98  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HB3   PHE   59  18.95 +/- 2.22   0.757% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.529, support = 0.553, residual support = 4.24:
          HB3   ASP-  62 - HB3   PHE   59   6.20 +/- 1.15  35.142% * 58.7628% (0.45   0.75   6.17) =  67.179%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.56 +/- 2.15  36.378% * 20.2954% (0.80   0.15   0.02) =  24.018%  kept
          HB    VAL  107 - HB3   PHE   59   9.00 +/- 2.50  21.289% * 11.7381% (0.38   0.18   1.09) =   8.129%  kept
          HB3   PHE   45 - HB3   PHE   59  12.76 +/- 2.96   5.535% *  2.7987% (0.80   0.02   0.02) =   0.504%  kept
          HB3   ASP-  86 - HB3   PHE   59  22.19 +/- 3.63   1.020% *  3.0318% (0.87   0.02   0.02) =   0.101%  kept
          HG2   GLU-  29 - HB3   PHE   59  24.23 +/- 3.97   0.636% *  3.3731% (0.97   0.02   0.02) =   0.070%
    Distance limit 4.01 A violated in 5 structures by 0.88 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 20.2:
        T QG1   ILE   56 - HB2   PHE   59   4.04 +/- 0.76  88.326% * 99.0024% (0.18 10.00   2.48  20.17) =  99.975%  kept
          HB    VAL   43 - HB2   PHE   59  14.27 +/- 2.59   4.567% *  0.1928% (0.34  1.00   0.02   0.02) =   0.010%
          HB    ILE   89 - HB2   PHE   59  19.17 +/- 2.72   1.372% *  0.3657% (0.65  1.00   0.02   0.02) =   0.006%
          QD    LYS+  81 - HB2   PHE   59  21.23 +/- 5.03   2.408% *  0.1572% (0.28  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HB2   PHE   59  17.98 +/- 2.57   1.797% *  0.1410% (0.25  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HB2   PHE   59  18.73 +/- 2.71   1.531% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 58.1:
      O   HN    PHE   59 - HB3   PHE   59   2.29 +/- 0.38  98.391% * 99.4232% (0.31  10.0   4.97  58.13) =  99.995%  kept
          HN    HIS  122 - HB3   PHE   59  10.35 +/- 0.80   1.374% *  0.2794% (0.87   1.0   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   PHE   59  20.75 +/- 3.50   0.235% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.3, residual support = 58.1:
      O   HN    PHE   59 - HB2   PHE   59   2.81 +/- 0.47  74.233% * 93.3125% (1.00  10.0   4.35  58.13) =  98.030%  kept
          QE    PHE   59 - HB2   PHE   59   4.50 +/- 0.05  21.217% *  6.5530% (0.80   1.0   1.75  58.13) =   1.968%  kept
          HN    HIS  122 - HB2   PHE   59   9.35 +/- 0.73   2.339% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   PHE   59  10.26 +/- 1.35   1.943% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  21.30 +/- 3.52   0.268% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.15:
          HB2   ASP-  62 - HA    PHE   59   3.48 +/- 0.69  91.449% * 97.0773% (0.99  1.00   1.50   6.17) =  99.814%  kept
        T QB    ASP- 113 - HA    PHE   59  10.72 +/- 1.49   6.748% *  2.2871% (0.18 10.00   0.02   0.02) =   0.174%  kept
          HB2   PRO   52 - HA    PHE   59  14.64 +/- 1.74   1.803% *  0.6357% (0.49  1.00   0.02   0.02) =   0.013%
    Distance limit 3.67 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 2.94, residual support = 6.12:
          HB3   ASP-  62 - HA    PHE   59   3.98 +/- 1.07  70.529% * 85.4423% (0.18  1.00   2.96   6.17) =  99.294%  kept
          HG3   GLN  116 - HA    PHE   59   7.55 +/- 2.49  26.044% *  1.1256% (0.34  1.00   0.02   0.50) =   0.483%  kept
        T HB3   TRP   87 - HA    PHE   59  21.02 +/- 2.93   0.979% *  9.1744% (0.28 10.00   0.02   0.02) =   0.148%  kept
          HG3   MET   96 - HA    PHE   59  15.72 +/- 2.08   2.065% *  1.7360% (0.53  1.00   0.02   0.02) =   0.059%
          HG2   GLU-  36 - HA    PHE   59  25.46 +/- 3.46   0.384% *  2.5217% (0.76  1.00   0.02   0.02) =   0.016%
    Distance limit 3.92 A violated in 2 structures by 0.41 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.91, residual support = 58.1:
      O   HN    PHE   59 - HA    PHE   59   2.81 +/- 0.08  76.662% * 92.5926% (1.00  10.0   4.96  58.13) =  98.303%  kept
          QE    PHE   59 - HA    PHE   59   4.78 +/- 0.46  16.810% *  7.2739% (0.80   1.0   1.96  58.13) =   1.693%  kept
          HN    HIS  122 - HA    PHE   59   9.13 +/- 1.16   2.564% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.52 +/- 1.61   3.758% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  22.03 +/- 3.36   0.207% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.03, residual support = 20.3:
          HN    PHE   60 - HB3   PHE   59   2.82 +/- 0.51  84.505% * 98.7621% (0.61   4.03  20.32) =  99.962%  kept
          HN    GLN  116 - HB3   PHE   59   6.17 +/- 1.15  10.432% *  0.1416% (0.18   0.02   0.50) =   0.018%
          HN    THR  118 - HB3   PHE   59   7.76 +/- 0.56   4.769% *  0.3035% (0.38   0.02  12.35) =   0.017%
          HN    GLU-  15 - HB3   PHE   59  22.14 +/- 3.19   0.294% *  0.7927% (0.98   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.97, support = 3.89, residual support = 70.4:
          QD    PHE   60 - HA    PHE   60   2.67 +/- 0.56  74.411% * 87.2786% (1.00   3.95  72.27) =  96.320%  kept
          QE    PHE   59 - HA    PHE   60   5.07 +/- 1.19  20.459% * 12.0458% (0.25   2.18  20.32) =   3.655%  kept
          HN    LYS+  66 - HA    PHE   60   7.35 +/- 0.75   4.750% *  0.3213% (0.73   0.02   0.02) =   0.023%
          HN    LYS+  81 - HA    PHE   60  19.14 +/- 3.94   0.380% *  0.3543% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.3:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.09  92.752% * 99.7483% (0.61  10.0   4.92  72.27) =  99.996%  kept
          HN    THR  118 - HA    PHE   60   9.65 +/- 1.31   2.840% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60   9.45 +/- 1.58   4.006% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  19.44 +/- 3.69   0.402% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.11, residual support = 41.8:
      O   HN    ALA   61 - HA    PHE   60   3.62 +/- 0.03  93.976% * 99.5823% (0.84  10.0   5.11  41.82) =  99.995%  kept
          HN    TRP   27 - HA    PHE   60  17.17 +/- 3.39   1.366% *  0.1182% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    PHE   60  16.98 +/- 2.77   1.222% *  0.1069% (0.90   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  19.64 +/- 2.97   0.929% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  18.23 +/- 2.97   1.020% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  17.63 +/- 1.90   0.923% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  20.80 +/- 2.20   0.564% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.714, support = 0.575, residual support = 1.3:
          HA    ASP-  44 - HB2   PHE   60   7.17 +/- 2.09  24.313% * 66.6145% (1.00   0.50   1.86) =  65.232%  kept
          HA    ALA   57 - HB2   PHE   60   4.70 +/- 1.71  53.229% * 15.4268% (0.15   0.75   0.25) =  33.073%  kept
          HB    THR   77 - HB2   PHE   60  12.32 +/- 2.65   4.527% *  2.6134% (0.98   0.02   0.02) =   0.476%  kept
          HA    ILE  103 - HB2   PHE   60  16.73 +/- 2.15   3.457% *  2.4612% (0.92   0.02   0.02) =   0.343%  kept
          HA    SER   85 - HB2   PHE   60  20.40 +/- 4.06   1.632% *  2.6134% (0.98   0.02   0.02) =   0.172%  kept
          HA1   GLY   51 - HB2   PHE   60  13.54 +/- 1.85   4.057% *  1.0007% (0.38   0.02   0.02) =   0.164%  kept
          HA    MET   11 - HB2   PHE   60  26.43 +/- 5.59   1.193% *  2.6662% (1.00   0.02   0.02) =   0.128%  kept
          HA    ALA   12 - HB2   PHE   60  24.83 +/- 4.61   2.211% *  1.4027% (0.53   0.02   0.02) =   0.125%  kept
          HA    THR   39 - HB2   PHE   60  17.84 +/- 2.16   1.886% *  1.2978% (0.49   0.02   0.02) =   0.099%
          HA    GLU-  79 - HB2   PHE   60  16.00 +/- 2.54   1.618% *  1.5095% (0.57   0.02   0.02) =   0.098%
          HA    ASP-  86 - HB2   PHE   60  21.35 +/- 3.56   0.881% *  1.2978% (0.49   0.02   0.02) =   0.046%
          HA    GLU-  14 - HB2   PHE   60  21.91 +/- 3.16   0.997% *  1.0961% (0.41   0.02   0.02) =   0.044%
    Distance limit 3.99 A violated in 5 structures by 0.69 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.3:
      O   QD    PHE   60 - HB2   PHE   60   2.51 +/- 0.16  93.313% * 99.7759% (0.76  10.0   3.76  72.27) =  99.997%  kept
          HN    LYS+  66 - HB2   PHE   60   8.86 +/- 0.50   2.269% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   PHE   60   9.10 +/- 1.62   3.181% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  18.00 +/- 3.69   0.580% *  0.1294% (0.99   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   PHE   60  14.49 +/- 2.44   0.657% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.93, residual support = 41.8:
          HN    ALA   61 - HB2   PHE   60   2.87 +/- 0.58  95.688% * 95.7681% (0.38   4.93  41.82) =  99.971%  kept
          HD1   TRP   87 - HB2   PHE   60  17.11 +/- 2.61   0.776% *  0.9278% (0.90   0.02   0.02) =   0.008%
          HN    TRP   27 - HB2   PHE   60  17.76 +/- 3.23   0.708% *  0.8284% (0.80   0.02   0.02) =   0.006%
          HN    ALA   91 - HB2   PHE   60  15.32 +/- 2.45   1.018% *  0.4638% (0.45   0.02   0.02) =   0.005%
          HN    THR   39 - HB2   PHE   60  19.23 +/- 2.01   0.494% *  0.9550% (0.92   0.02   0.02) =   0.005%
          HN    GLU-  36 - HB2   PHE   60  22.32 +/- 1.97   0.309% *  0.5443% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   PHE   60  20.80 +/- 1.99   0.391% *  0.3529% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  18.70 +/- 2.53   0.615% *  0.1596% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 72.3:
      O   HN    PHE   60 - HB2   PHE   60   2.60 +/- 0.57  94.346% * 99.7483% (0.61  10.0   4.78  72.27) =  99.997%  kept
          HN    THR  118 - HB2   PHE   60  10.52 +/- 1.90   2.298% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HB2   PHE   60   9.61 +/- 1.95   3.058% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  21.04 +/- 3.66   0.298% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 2.82, residual support = 9.2:
        T QD1   LEU   63 - HA    PHE   60   3.46 +/- 1.37  46.536% * 70.3817% (1.00 10.00   3.16  10.14) =  85.235%  kept
        T QD1   LEU   73 - HA    PHE   60   9.57 +/- 3.19  19.876% * 23.5584% (1.00 10.00   0.67   2.78) =  12.185%  kept
          QD2   LEU   63 - HA    PHE   60   4.59 +/- 1.13  20.289% *  4.0586% (0.57  1.00   2.04  10.14) =   2.143%  kept
          QD2   LEU  115 - HA    PHE   60   6.23 +/- 1.03  10.557% *  1.5341% (0.84  1.00   0.52   0.02) =   0.421%  kept
        T QD1   LEU  104 - HA    PHE   60  13.15 +/- 2.28   1.341% *  0.3985% (0.57 10.00   0.02   0.02) =   0.014%
          QD2   LEU   80 - HA    PHE   60  15.01 +/- 2.92   0.657% *  0.0564% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  15.05 +/- 3.07   0.744% *  0.0123% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.921, support = 1.5, residual support = 10.1:
        T HB2   LEU   63 - HA    PHE   60   3.19 +/- 1.06  49.157% * 98.0865% (0.92 10.00   1.50  10.14) =  99.716%  kept
          HB3   LEU   73 - HA    PHE   60  10.66 +/- 3.07  12.005% *  0.7613% (0.15  1.00   0.70   2.78) =   0.189%  kept
          HB3   ASP-  44 - HA    PHE   60   6.64 +/- 3.27  18.223% *  0.1389% (0.98  1.00   0.02   1.86) =   0.052%
          HB3   PRO   93 - HA    PHE   60   8.97 +/- 2.99   9.678% *  0.1229% (0.87  1.00   0.02   0.02) =   0.025%
          QB    ALA   84 - HA    PHE   60  15.44 +/- 3.32   1.675% *  0.1271% (0.90  1.00   0.02   0.02) =   0.004%
          QB    ALA  124 - HA    PHE   60  14.77 +/- 1.62   1.043% *  0.1414% (1.00  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HA    PHE   60  17.36 +/- 2.93   1.199% *  0.0973% (0.69  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.43 +/- 1.79   0.711% *  0.1367% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    PHE   60  11.10 +/- 1.87   2.594% *  0.0315% (0.22  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  14.45 +/- 1.56   0.891% *  0.0859% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    PHE   60  17.88 +/- 3.73   0.444% *  0.1183% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.19 +/- 2.49   1.088% *  0.0437% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  18.24 +/- 2.17   0.534% *  0.0483% (0.34  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    PHE   60  20.46 +/- 3.07   0.460% *  0.0353% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.38 +/- 2.36   0.297% *  0.0248% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.462, support = 0.716, residual support = 0.549:
        T QG2   VAL   18 - HA    ALA   61  10.89 +/- 6.54  21.658% * 54.8958% (0.34 10.00   0.58   0.12) =  58.140%  kept
          QD1   ILE   56 - HA    ALA   61   7.49 +/- 1.74  22.026% * 19.9241% (0.61  1.00   1.18   2.11) =  21.460%  kept
          QD2   LEU   73 - HA    ALA   61   8.65 +/- 2.35  17.416% * 15.1664% (0.87  1.00   0.63   0.02) =  12.916%  kept
          QG2   THR   46 - HA    ALA   61   7.18 +/- 2.50  27.868% *  4.8921% (0.25  1.00   0.70   0.32) =   6.667%  kept
        T QG1   VAL   41 - HA    ALA   61  14.02 +/- 1.20   3.255% *  4.2667% (0.76 10.00   0.02   0.02) =   0.679%  kept
          QG1   VAL   43 - HA    ALA   61  11.03 +/- 1.29   6.141% *  0.3161% (0.57  1.00   0.02   0.02) =   0.095%
          HG    LEU   31 - HA    ALA   61  17.32 +/- 2.43   1.637% *  0.5388% (0.97  1.00   0.02   0.02) =   0.043%
    Distance limit 3.02 A violated in 13 structures by 1.79 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.42, residual support = 6.59:
        T QB    ALA   64 - HA    ALA   61   3.29 +/- 0.71  74.039% * 98.7496% (0.34 10.00   2.43   6.60) =  99.832%  kept
        T QG1   VAL   75 - HA    ALA   61   8.61 +/- 1.89   8.686% *  1.0865% (0.38 10.00   0.02   0.02) =   0.129%  kept
          QD1   LEU  115 - HA    ALA   61   8.34 +/- 1.66  17.276% *  0.1639% (0.57  1.00   0.02   0.02) =   0.039%
    Distance limit 3.41 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.6:
          HN    ALA   64 - HA    ALA   61   3.87 +/- 0.50 100.000% *100.0000% (0.84   0.75   6.60) = 100.000%  kept
    Distance limit 4.14 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.74, residual support = 17.8:
      O   HN    ALA   61 - HA    ALA   61   2.77 +/- 0.05  95.862% * 98.9218% (0.38  10.0   2.74  17.83) =  99.994%  kept
          HD1   TRP   87 - HA    ALA   61  18.74 +/- 3.92   0.969% *  0.2364% (0.90   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ALA   61  17.60 +/- 3.75   0.538% *  0.2111% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  17.20 +/- 3.54   0.780% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    ALA   61  19.06 +/- 1.52   0.313% *  0.2433% (0.92   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    ALA   61  20.60 +/- 4.25   1.131% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.06 +/- 2.15   0.209% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  22.38 +/- 1.99   0.198% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.719, support = 3.68, residual support = 70.3:
      O   QD    PHE   60 - HB3   PHE   60   2.45 +/- 0.16  67.509% * 85.6042% (0.73  10.0   3.72  72.27) =  96.297%  kept
          QE    PHE   59 - HB3   PHE   60   5.66 +/- 1.99  20.970% *  7.4707% (0.65   1.0   1.96  20.32) =   2.611%  kept
          HN    PHE   59 - HB3   PHE   60   4.95 +/- 0.63   9.665% *  6.7632% (0.28   1.0   4.13  20.32) =   1.089%  kept
          HN    LYS+  66 - HB3   PHE   60   9.00 +/- 0.69   1.488% *  0.1176% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  18.31 +/- 3.64   0.368% *  0.0442% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.92, residual support = 72.3:
      O   HN    PHE   60 - HB3   PHE   60   2.47 +/- 0.46  99.730% * 99.5797% (0.20  10.0   4.92  72.27) =  99.999%  kept
          HN    GLU-  15 - HB3   PHE   60  21.03 +/- 3.60   0.270% *  0.4203% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.849, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.17 +/- 2.79  28.806% * 23.9067% (0.95   0.02   0.02) =  35.568%  kept
          HN    THR   39 - HB3   PHE   60  19.24 +/- 2.30  18.775% * 23.3294% (0.92   0.02   0.02) =  22.623%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.72 +/- 1.75  15.755% * 20.2366% (0.80   0.02   0.02) =  16.467%  kept
          HN    GLU-  36 - HB3   PHE   60  22.38 +/- 2.30  11.422% * 23.9067% (0.95   0.02   0.02) =  14.103%  kept
          HN    TRP   27 - HB3   PHE   60  17.97 +/- 3.43  25.241% *  8.6206% (0.34   0.02   0.02) =  11.239%  kept
    Distance limit 3.72 A violated in 20 structures by 10.02 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.3, residual support = 5.5:
          HA    LYS+  81 - QB    ALA   84   2.37 +/- 0.34  94.691% * 58.7062% (0.33  1.00   2.31   5.52) =  99.717%  kept
        T HA    ASN   28 - QB    ALA   84  18.44 +/- 5.87   0.529% * 13.7808% (0.89 10.00   0.02   0.02) =   0.131%  kept
          HA    ARG+  54 - QB    ALA   84  14.79 +/- 3.72   3.124% *  1.2949% (0.84  1.00   0.02   0.02) =   0.073%
        T HA    ALA   34 - QB    ALA   84  21.99 +/- 3.30   0.185% * 11.4088% (0.74 10.00   0.02   0.02) =   0.038%
        T HA    ALA  124 - QB    ALA   84  27.35 +/- 3.26   0.115% * 11.4088% (0.74 10.00   0.02   0.02) =   0.023%
          HA    LEU  115 - QB    ALA   84  16.79 +/- 1.81   0.414% *  1.3388% (0.87  1.00   0.02   0.02) =   0.010%
          HA1   GLY  101 - QB    ALA   84  21.84 +/- 4.00   0.230% *  0.8452% (0.55  1.00   0.02   0.02) =   0.003%
          HA    GLU- 114 - QB    ALA   84  18.98 +/- 2.09   0.245% *  0.6137% (0.40  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QB    ALA   84  20.31 +/- 5.94   0.366% *  0.2303% (0.15  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   84  26.17 +/- 3.09   0.100% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.292, support = 1.92, residual support = 16.1:
          HA    SER   85 - QB    ALA   84   3.77 +/- 0.04  51.723% * 37.2744% (0.15  1.00   2.33  20.68) =  77.694%  kept
          HA    ASP-  86 - QB    ALA   84   6.46 +/- 0.06  10.294% * 49.7757% (0.84  1.00   0.55   0.02) =  20.649%  kept
          HA    TRP   87 - QB    ALA   84   6.98 +/- 0.34   8.616% *  2.4107% (0.27  1.00   0.08   0.02) =   0.837%  kept
        T HA    ASP-  44 - QB    ALA   84  11.17 +/- 1.69   2.459% *  4.1062% (0.19 10.00   0.02   0.02) =   0.407%  kept
          HB    THR   77 - QB    ALA   84   5.79 +/- 1.94  25.599% *  0.3201% (0.15  1.00   0.02   0.02) =   0.330%  kept
          HA    LEU  104 - QB    ALA   84  20.11 +/- 2.59   0.397% *  2.0024% (0.93  1.00   0.02   0.02) =   0.032%
          HA    GLU-  14 - QB    ALA   84  25.01 +/- 5.65   0.328% *  1.9154% (0.89  1.00   0.02   0.02) =   0.025%
          HA    ALA   12 - QB    ALA   84  26.77 +/- 5.91   0.271% *  1.7331% (0.81  1.00   0.02   0.02) =   0.019%
          HA    MET   11 - QB    ALA   84  27.60 +/- 6.53   0.313% *  0.4619% (0.21  1.00   0.02   0.02) =   0.006%
    Distance limit 3.36 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.05, residual support = 17.2:
      O   HN    ALA   84 - QB    ALA   84   2.02 +/- 0.05  92.031% * 98.8488% (0.30  10.0   4.05  17.21) =  99.988%  kept
          HZ2   TRP   87 - QB    ALA   84   8.86 +/- 1.04   1.435% *  0.2326% (0.70   1.0   0.02   0.02) =   0.004%
          QE    PHE   60 - QB    ALA   84  12.50 +/- 3.40   4.282% *  0.0561% (0.17   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - QB    ALA   84  16.99 +/- 6.60   0.679% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - QB    ALA   84  17.14 +/- 3.69   0.650% *  0.2564% (0.77   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - QB    ALA   84  14.59 +/- 3.14   0.654% *  0.2200% (0.66   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 111 - QB    ALA   84  14.98 +/- 1.92   0.270% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.93, residual support = 20.3:
          HN    SER   85 - QB    ALA   84   2.60 +/- 0.10  83.468% * 90.4697% (0.77   3.98  20.68) =  98.359%  kept
          HN    LEU   80 - QB    ALA   84   5.25 +/- 0.92  14.534% *  8.6422% (0.30   0.99   0.02) =   1.636%  kept
          HN    GLN   32 - QB    ALA   84  21.21 +/- 5.12   0.279% *  0.5674% (0.97   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    ALA   84  12.79 +/- 2.80   1.514% *  0.0875% (0.15   0.02   0.02) =   0.002%
          HN    ALA   34 - QB    ALA   84  21.68 +/- 3.96   0.204% *  0.2332% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.925, support = 1.05, residual support = 27.3:
          HN    LEU  123 - QB    ALA  120   3.90 +/- 0.13  66.427% * 87.3840% (0.94   1.09  28.30) =  96.308%  kept
          HN    ALA  124 - QB    ALA  120   6.28 +/- 0.56  17.831% * 11.4376% (0.57   0.23   0.02) =   3.384%  kept
          HE21  GLN   17 - QB    ALA  120  17.30 +/- 5.21  15.742% *  1.1784% (0.69   0.02   0.02) =   0.308%  kept
    Distance limit 2.87 A violated in 0 structures by 0.92 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 2.03, residual support = 5.3:
        T HA    SER  117 - QB    ALA  120   3.21 +/- 0.67  91.345% * 99.1094% (0.54 10.00   2.03   5.30) =  99.985%  kept
        T HB    THR   26 - QB    ALA  120  19.84 +/- 5.59   1.959% *  0.3897% (0.21 10.00   0.02   0.02) =   0.008%
          HA    ALA   57 - QB    ALA  120  12.82 +/- 1.41   1.800% *  0.1656% (0.89  1.00   0.02   0.02) =   0.003%
          HA    THR   39 - QB    ALA  120  16.53 +/- 4.39   1.446% *  0.0991% (0.54  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - QB    ALA  120  14.37 +/- 3.84   2.663% *  0.0307% (0.17  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA  120  20.31 +/- 1.65   0.457% *  0.1202% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  22.83 +/- 1.76   0.330% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 3.98, residual support = 17.8:
      O   HN    ALA   61 - QB    ALA   61   2.08 +/- 0.08  93.619% * 99.3531% (0.97  10.0   3.98  17.83) =  99.996%  kept
          HN    ALA   91 - QB    ALA  110  10.29 +/- 2.21   1.085% *  0.0755% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - QB    ALA   61  14.43 +/- 3.19   0.764% *  0.1020% (0.99   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  10.89 +/- 1.92   0.959% *  0.0735% (0.71   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA  110  13.81 +/- 3.75   1.081% *  0.0553% (0.54   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   61  17.76 +/- 3.65   0.508% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.08 +/- 3.07   0.273% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  16.22 +/- 3.61   0.672% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.63 +/- 2.99   0.645% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  20.08 +/- 3.06   0.151% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.63 +/- 1.24   0.159% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  21.93 +/- 1.49   0.085% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.57:
      O   HN    ALA  110 - QB    ALA  110   2.64 +/- 0.25  83.237% * 99.6796% (0.87  10.0   2.12   9.58) =  99.989%  kept
          HN    PHE   45 - QB    ALA  110   8.97 +/- 1.49   5.488% *  0.0743% (0.65   1.0   0.02   0.02) =   0.005%
          HN    PHE   45 - QB    ALA   61   9.20 +/- 2.06   3.421% *  0.0550% (0.48   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   61  12.37 +/- 2.67   2.502% *  0.0738% (0.64   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - QB    ALA   61   9.12 +/- 1.43   3.290% *  0.0236% (0.21   1.0   0.02   0.17) =   0.001%
          HN    ASP-  44 - QB    ALA  110  11.83 +/- 1.32   1.282% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.38 +/- 3.71   0.386% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  17.91 +/- 3.51   0.395% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 2.73, residual support = 7.87:
          HN    ASP-  62 - QB    ALA   61   2.74 +/- 0.27  69.834% * 77.5408% (1.00   2.79   8.08) =  97.315%  kept
          HN    PHE   55 - QB    ALA  110   8.36 +/- 3.22  12.008% *  5.8652% (0.33   0.63   0.61) =   1.266%  kept
          HN    PHE   55 - QB    ALA   61   8.24 +/- 1.87   5.060% *  9.3222% (0.45   0.75   0.02) =   0.848%  kept
          HN    ARG+  54 - QB    ALA  110   9.55 +/- 3.22   6.020% *  3.1856% (0.64   0.18   0.02) =   0.345%  kept
          HN    ARG+  54 - QB    ALA   61   8.23 +/- 1.94   5.077% *  2.3251% (0.87   0.10   0.02) =   0.212%  kept
          HN    ASP-  62 - QB    ALA  110  12.30 +/- 1.94   0.994% *  0.4116% (0.74   0.02   0.02) =   0.007%
          HN    LEU   31 - QB    ALA   61  16.59 +/- 2.17   0.428% *  0.5464% (0.98   0.02   0.02) =   0.004%
          HN    LEU   31 - QB    ALA  110  20.55 +/- 2.11   0.199% *  0.4043% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA   61  19.10 +/- 1.53   0.255% *  0.2292% (0.41   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA  110  23.48 +/- 1.50   0.126% *  0.1696% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.793, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.79 +/- 3.07  28.129% * 28.1529% (1.00   0.02   0.02) =  37.540%  kept
          HA    GLU-  14 - HB2   ASP-  62  20.49 +/- 4.43  23.076% * 21.5631% (0.76   0.02   0.02) =  23.587%  kept
          HA    ALA   12 - HB2   ASP-  62  23.36 +/- 5.49  19.538% * 18.2527% (0.65   0.02   0.02) =  16.905%  kept
          HA    ASP-  86 - HB2   ASP-  62  26.23 +/- 4.55  13.860% * 19.3814% (0.69   0.02   0.02) =  12.734%  kept
          HA    TRP   87 - HB2   ASP-  62  24.72 +/- 3.83  15.397% * 12.6499% (0.45   0.02   0.02) =   9.233%  kept
    Distance limit 3.56 A violated in 20 structures by 11.83 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  26.40 +/- 4.55  13.458% * 70.6236% (0.67 10.00   0.02   0.02) =  58.488%  kept
          HA    LEU  104 - HB3   ASP-  62  19.75 +/- 3.10  28.057% * 10.2586% (0.98  1.00   0.02   0.02) =  17.712%  kept
          HA    GLU-  14 - HB3   ASP-  62  20.36 +/- 4.48  23.568% *  7.8573% (0.75  1.00   0.02   0.02) =  11.396%  kept
          HA    ALA   12 - HB3   ASP-  62  23.19 +/- 5.39  19.892% *  6.6511% (0.63  1.00   0.02   0.02) =   8.142%  kept
          HA    TRP   87 - HB3   ASP-  62  24.92 +/- 3.83  15.025% *  4.6095% (0.44  1.00   0.02   0.02) =   4.262%  kept
    Distance limit 3.29 A violated in 20 structures by 12.00 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.1, residual support = 4.15:
          HN    LYS+  65 - HA    ASP-  62   3.80 +/- 0.37 100.000% *100.0000% (0.15   1.10   4.15) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.77 +/- 0.07  94.951% * 99.7294% (1.00  10.0   3.83  40.97) =  99.996%  kept
          HN    ARG+  54 - HA    ASP-  62  13.41 +/- 2.43   2.250% *  0.0867% (0.87   1.0   0.02   0.02) =   0.002%
          HN    PHE   55 - HA    ASP-  62  13.16 +/- 2.11   2.088% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  19.05 +/- 3.34   0.458% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  21.02 +/- 2.28   0.254% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 42.2:
          HN    LEU   63 - HB2   ASP-  62   3.09 +/- 0.54  91.614% * 96.5144% (0.97   5.24  42.26) =  99.841%  kept
          HN    ILE   56 - HB2   ASP-  62  10.20 +/- 1.46   5.246% *  2.5684% (0.90   0.15   0.02) =   0.152%  kept
          HD21  ASN   28 - HB2   ASP-  62  20.62 +/- 4.72   0.896% *  0.2624% (0.69   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB2   ASP-  62  14.96 +/- 1.83   1.117% *  0.2010% (0.53   0.02   0.02) =   0.003%
          HN    ALA   84 - HB2   ASP-  62  22.25 +/- 4.56   0.436% *  0.2010% (0.53   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB2   ASP-  62  22.25 +/- 3.62   0.336% *  0.1859% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB2   ASP-  62  24.92 +/- 4.99   0.355% *  0.0669% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.43 +/- 0.35  98.206% * 99.6462% (0.69  10.0   3.83  40.97) =  99.998%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.04 +/- 1.67   0.882% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB2   ASP-  62  19.31 +/- 3.75   0.670% *  0.0880% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   ASP-  62  21.30 +/- 2.87   0.242% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.22, residual support = 42.1:
          HN    LEU   63 - HB3   ASP-  62   3.34 +/- 0.60  82.060% * 96.5144% (0.95   5.24  42.26) =  99.590%  kept
          HN    ILE   56 - HB3   ASP-  62  10.56 +/- 1.91  12.256% *  2.5684% (0.88   0.15   0.02) =   0.396%  kept
          HD21  ASN   28 - HB3   ASP-  62  20.80 +/- 4.52   1.551% *  0.2624% (0.67   0.02   0.02) =   0.005%
          HN    ALA   84 - HB3   ASP-  62  22.47 +/- 4.57   1.605% *  0.2010% (0.52   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HB3   ASP-  62  15.27 +/- 1.75   1.097% *  0.2010% (0.52   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB3   ASP-  62  22.44 +/- 3.54   0.557% *  0.1859% (0.48   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  24.84 +/- 5.21   0.873% *  0.0669% (0.17   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.03 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   2.91 +/- 0.52  92.251% * 99.7294% (0.98  10.0   3.83  40.97) =  99.994%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.31 +/- 2.26   2.938% *  0.0867% (0.85   1.0   0.02   0.02) =   0.003%
          HN    PHE   55 - HB3   ASP-  62  12.70 +/- 2.06   3.665% *  0.0448% (0.44   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - HB3   ASP-  62  19.32 +/- 3.68   0.793% *  0.0980% (0.96   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ASP-  62  21.08 +/- 2.87   0.354% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.849, support = 2.63, residual support = 5.2:
          QB    LYS+  66 - HA    LEU   63   3.78 +/- 0.96  55.428% * 51.1621% (1.00   2.18   6.18) =  65.281%  kept
          QB    LYS+  65 - HA    LEU   63   5.10 +/- 0.81  32.366% * 46.4788% (0.57   3.50   3.36) =  34.630%  kept
          HG    LEU  123 - HA    LEU   63  10.87 +/- 3.06   5.055% *  0.2659% (0.57   0.02   0.02) =   0.031%
          HB    VAL   41 - HA    LEU   63  13.91 +/- 2.16   1.602% *  0.4442% (0.95   0.02   0.02) =   0.016%
          HG2   PRO   93 - HA    LEU   63  15.22 +/- 2.70   1.351% *  0.4212% (0.90   0.02   0.02) =   0.013%
          HB2   LEU   71 - HA    LEU   63  11.54 +/- 0.97   1.973% *  0.2471% (0.53   0.02   0.02) =   0.011%
          HG12  ILE  103 - HA    LEU   63  17.19 +/- 3.53   0.952% *  0.3923% (0.84   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HA    LEU   63  18.74 +/- 3.32   0.668% *  0.3226% (0.69   0.02   0.02) =   0.005%
          HB3   PRO   52 - HA    LEU   63  18.01 +/- 1.71   0.606% *  0.2659% (0.57   0.02   0.02) =   0.004%
    Distance limit 3.33 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.572, support = 1.92, residual support = 6.5:
          HN    LYS+  66 - HA    LEU   63   3.79 +/- 0.67  57.780% * 53.8391% (0.53   2.14   6.18) =  82.703%  kept
          QD    PHE   60 - HA    LEU   63   6.62 +/- 0.63  12.748% * 40.2686% (0.97   0.87  10.14) =  13.647%  kept
          QE    PHE   59 - HA    LEU   63   6.66 +/- 2.06  27.085% *  4.9885% (0.14   0.77   0.12) =   3.592%  kept
          HN    LYS+  81 - HA    LEU   63  21.70 +/- 4.46   2.386% *  0.9039% (0.95   0.02   0.02) =   0.057%
    Distance limit 3.74 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.5:
      O   HN    LEU   63 - HA    LEU   63   2.81 +/- 0.07  95.441% * 99.6457% (1.00  10.0   7.54 242.52) =  99.997%  kept
          HN    ILE   56 - HA    LEU   63  12.93 +/- 1.15   1.113% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    LEU   63  18.26 +/- 4.59   1.531% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    LEU   63  21.72 +/- 4.06   0.558% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  16.57 +/- 2.47   0.551% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  21.22 +/- 3.92   0.461% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  22.06 +/- 4.06   0.346% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.486, support = 1.49, residual support = 10.1:
        T HA    PHE   60 - HB2   LEU   63   3.19 +/- 1.06  71.655% * 93.0616% (0.49 10.00   1.50  10.14) =  99.408%  kept
          HA    LYS+  65 - HB2   LEU   63   7.61 +/- 0.39   8.913% *  2.0843% (0.18  1.00   0.93   3.36) =   0.277%  kept
          HA    ALA  120 - HB2   LEU   63  11.15 +/- 2.51   6.197% *  2.6749% (0.53  1.00   0.40   0.02) =   0.247%  kept
          HB    THR   94 - HB2   LEU   63  13.12 +/- 2.97   2.121% *  1.1397% (0.87  1.00   0.10   0.02) =   0.036%
          QB    SER  117 - HB2   LEU   63  11.79 +/- 1.42   2.578% *  0.2499% (0.98  1.00   0.02   0.02) =   0.010%
          QB    SER   48 - HB2   LEU   63  15.38 +/- 4.29   3.205% *  0.1948% (0.76  1.00   0.02   0.02) =   0.009%
          HA    LYS+ 121 - HB2   LEU   63  12.64 +/- 1.94   2.276% *  0.2353% (0.92  1.00   0.02   0.02) =   0.008%
          HA2   GLY   51 - HB2   LEU   63  17.16 +/- 1.41   0.809% *  0.2460% (0.97  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HB2   LEU   63  16.00 +/- 5.38   1.583% *  0.0568% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  21.61 +/- 4.11   0.663% *  0.0568% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.56, residual support = 54.8:
          HN    ALA   64 - HB2   LEU   63   2.93 +/- 0.46 100.000% *100.0000% (0.57   7.56  54.84) = 100.000%  kept
    Distance limit 3.84 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 = 0.991, support = 2.64, residual support = 16.6:
          QE    PHE   72 - HB2   LEU   63   4.69 +/- 1.32  84.277% * 99.3471% (0.99   2.64  16.63) =  99.940%  kept
          HD22  ASN   28 - HB2   LEU   63  16.59 +/- 3.78  10.547% *  0.3123% (0.41   0.02   0.02) =   0.039%
          HN    ALA   47 - HB2   LEU   63  13.89 +/- 3.03   5.175% *  0.3406% (0.45   0.02   0.02) =   0.021%
    Distance limit 4.12 A violated in 5 structures by 0.83 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.14, residual support = 242.5:
      O   HN    LEU   63 - HB2   LEU   63   2.21 +/- 0.23  97.509% * 99.6457% (1.00  10.0   8.14 242.52) =  99.998%  kept
          HN    ILE   56 - HB2   LEU   63  11.42 +/- 1.14   0.894% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   LEU   63  14.60 +/- 2.20   0.446% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  17.24 +/- 4.01   0.487% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  19.98 +/- 3.80   0.262% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  19.56 +/- 3.33   0.241% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  21.60 +/- 3.74   0.160% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.52, residual support = 41.9:
          HN    ASP-  62 - HB2   LEU   63   4.61 +/- 0.32  85.799% * 90.1925% (0.76   4.55  42.26) =  99.253%  kept
          HN    LEU   31 - HB2   LEU   63  15.64 +/- 3.21   6.245% *  8.9158% (0.84   0.41   0.02) =   0.714%  kept
          HN    PHE   55 - HB2   LEU   63  13.66 +/- 1.18   3.596% *  0.4652% (0.90   0.02   0.02) =   0.021%
          HN    ARG+  54 - HB2   LEU   63  14.06 +/- 1.26   3.363% *  0.2132% (0.41   0.02   0.02) =   0.009%
          HN    ALA   88 - HB2   LEU   63  22.68 +/- 3.33   0.997% *  0.2132% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.31 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.74, residual support = 54.8:
          HN    ALA   64 - HB3   LEU   63   3.31 +/- 0.48 100.000% *100.0000% (0.57   6.74  54.84) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.2, residual support = 16.6:
        T HZ    PHE   72 - HB3   LEU   63   4.32 +/- 2.06  77.248% * 99.9822% (0.87 10.00   3.20  16.63) =  99.995%  kept
          HZ2   TRP   27 - HB3   LEU   63  13.78 +/- 3.71  22.752% *  0.0178% (0.15  1.00   0.02   0.47) =   0.005%
    Distance limit 4.06 A violated in 5 structures by 0.95 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 242.5:
      O   HN    LEU   63 - HB3   LEU   63   3.37 +/- 0.19  92.407% * 99.6457% (1.00  10.0   7.61 242.52) =  99.995%  kept
          HN    ILE   56 - HB3   LEU   63  12.65 +/- 1.19   1.973% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB3   LEU   63  16.79 +/- 4.04   2.324% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB3   LEU   63  15.62 +/- 2.54   1.122% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  20.31 +/- 3.58   0.726% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB3   LEU   63  19.69 +/- 3.71   0.867% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  20.90 +/- 3.61   0.580% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 7.6, residual support = 242.2:
          HN    LEU   63 - HG    LEU   63   3.25 +/- 0.69  78.518% * 98.3596% (0.76   7.61 242.52) =  99.859%  kept
          QE    PHE   60 - HG    LEU   63   6.90 +/- 1.60  13.831% *  0.6628% (0.20   0.20  10.14) =   0.119%  kept
          HD21  ASN   28 - HG    LEU   63  17.31 +/- 4.82   3.321% *  0.3122% (0.92   0.02   0.02) =   0.013%
          HN    ILE   56 - HG    LEU   63  12.16 +/- 1.94   1.746% *  0.2188% (0.65   0.02   0.02) =   0.005%
          HZ2   TRP   87 - HG    LEU   63  20.16 +/- 4.01   0.652% *  0.2585% (0.76   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HG    LEU   63  14.82 +/- 3.15   1.363% *  0.0940% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  20.84 +/- 4.40   0.568% *  0.0940% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.166, support = 2.77, residual support = 8.92:
        T HA    PHE   60 - QD1   LEU   63   3.46 +/- 1.37  36.529% * 52.5581% (0.14 10.00   3.16  10.14) =  84.931%  kept
        T HA    PHE   60 - QD1   LEU   73   9.57 +/- 3.19  13.787% * 17.5925% (0.14 10.00   0.67   2.78) =  10.730%  kept
          HA    ALA  120 - QD1   LEU   63   8.63 +/- 2.45   8.258% *  5.8200% (0.95  1.00   0.32   0.02) =   2.126%  kept
          HB    THR   94 - QD1   LEU   63  10.83 +/- 3.64   2.040% *  8.2750% (0.97  1.00   0.44   0.02) =   0.747%  kept
          HB    THR   94 - QD1   LEU   73  11.30 +/- 2.22   1.738% *  4.8604% (0.97  1.00   0.26   0.02) =   0.374%  kept
          HA    LYS+ 121 - QD1   LEU   63   9.50 +/- 1.98   2.218% *  3.3311% (0.92  1.00   0.19   0.02) =   0.327%  kept
          HA    LYS+  65 - QD1   LEU   63   7.99 +/- 0.47   3.352% *  1.5334% (0.57  1.00   0.14   3.36) =   0.227%  kept
          HA    LYS+ 121 - QD1   LEU  104   9.85 +/- 5.39   5.959% *  0.6723% (0.23  1.00   0.15   0.02) =   0.177%  kept
          QB    SER  117 - QD1   LEU   63   9.07 +/- 1.80   2.362% *  1.0003% (0.61  1.00   0.08   0.02) =   0.105%  kept
          QB    SER   48 - QD1   LEU   73  12.98 +/- 4.31   5.276% *  0.3875% (1.00  1.00   0.02   0.02) =   0.090%
          HA    LYS+  65 - QD1   LEU   73  10.61 +/- 1.83   2.275% *  0.2199% (0.57  1.00   0.02   0.02) =   0.022%
          QB    SER  117 - QD1   LEU   73  14.16 +/- 4.19   2.002% *  0.2355% (0.61  1.00   0.02   0.02) =   0.021%
          HA2   GLY   51 - QD1   LEU   73  17.65 +/- 4.54   1.291% *  0.3369% (0.87  1.00   0.02   0.02) =   0.019%
          QB    SER   48 - QD1   LEU   63  13.65 +/- 3.22   1.103% *  0.3875% (1.00  1.00   0.02   0.02) =   0.019%
          HA    ALA  120 - QD1   LEU   73  15.71 +/- 3.88   0.787% *  0.3674% (0.95  1.00   0.02   0.02) =   0.013%
          HA2   GLY   16 - QD1   LEU   73  14.29 +/- 5.83   1.020% *  0.2512% (0.65  1.00   0.02   0.02) =   0.011%
          HA    LYS+ 121 - QD1   LEU   73  15.49 +/- 3.73   0.658% *  0.3585% (0.92  1.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - QD1   LEU   63  13.40 +/- 4.00   0.700% *  0.2512% (0.65  1.00   0.02   0.02) =   0.008%
          HA2   GLY   51 - QD1   LEU   63  15.21 +/- 1.57   0.443% *  0.3369% (0.87  1.00   0.02   0.02) =   0.007%
          HB    THR   94 - QD1   LEU  104  13.55 +/- 1.65   1.554% *  0.0917% (0.24  1.00   0.02   0.02) =   0.006%
        T HA    PHE   60 - QD1   LEU  104  13.15 +/- 2.28   1.031% *  0.1287% (0.03 10.00   0.02   0.02) =   0.006%
          HA    ALA  120 - QD1   LEU  104  12.62 +/- 4.37   1.281% *  0.0899% (0.23  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - QD1   LEU   73  15.61 +/- 2.15   0.443% *  0.2512% (0.65  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - QD1   LEU   63  18.45 +/- 3.72   0.396% *  0.2512% (0.65  1.00   0.02   0.02) =   0.004%
          QB    SER  117 - QD1   LEU  104  10.78 +/- 2.72   1.569% *  0.0577% (0.15  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - QD1   LEU  104  18.84 +/- 3.14   0.388% *  0.0948% (0.24  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD1   LEU  104  20.20 +/- 3.39   0.486% *  0.0615% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  104  15.66 +/- 2.68   0.424% *  0.0615% (0.16  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU  104  16.49 +/- 2.76   0.467% *  0.0538% (0.14  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  23.17 +/- 2.71   0.163% *  0.0825% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 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 = 0.469, support = 3.17, residual support = 18.5:
        T HZ3   TRP   27 - QD1   LEU   73   5.21 +/- 3.54  44.085% * 71.4724% (0.49 10.00   3.63  21.83) =  84.365%  kept
        T HZ3   TRP   27 - QD1   LEU   63   9.66 +/- 3.20  20.431% * 19.8173% (0.49 10.00   0.55   0.47) =  10.841%  kept
        T HZ3   TRP   27 - QD1   LEU  104  10.01 +/- 3.91  21.008% *  8.4710% (0.12 10.00   0.97   1.54) =   4.765%  kept
          HZ    PHE   45 - QD1   LEU   73   9.97 +/- 1.78   5.410% *  0.1066% (0.73  1.00   0.02   0.02) =   0.015%
          HZ    PHE   45 - QD1   LEU   63  11.81 +/- 3.35   3.263% *  0.1066% (0.73  1.00   0.02   0.02) =   0.009%
          HZ    PHE   45 - QD1   LEU  104  13.11 +/- 2.84   5.803% *  0.0261% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 3.81 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.814, support = 1.9, residual support = 5.83:
          QD    PHE   60 - QD1   LEU   63   4.32 +/- 1.71  22.385% * 29.8905% (0.87   2.00  10.14) =  44.020%  kept
          QD    PHE   60 - QD1   LEU   73   8.02 +/- 3.21  14.735% * 36.4728% (0.87   2.44   2.78) =  35.356%  kept
          QE    PHE   59 - QD1   LEU   63   4.06 +/- 2.08  30.818% *  5.8058% (0.49   0.69   0.12) =  11.771%  kept
          HN    LYS+  66 - QD1   LEU   63   6.14 +/- 0.69   4.590% * 19.5980% (0.95   1.20   6.18) =   5.919%  kept
          QE    PHE   59 - QD1   LEU   73   9.88 +/- 4.07  15.293% *  1.9593% (0.49   0.23   0.02) =   1.971%  kept
          HN    PHE   59 - QD1   LEU   63   6.27 +/- 1.35   5.002% *  1.9811% (0.18   0.66   0.12) =   0.652%  kept
          HN    LYS+  66 - QD1   LEU   73  11.42 +/- 1.73   0.853% *  2.7417% (0.95   0.17   0.02) =   0.154%  kept
          HN    PHE   59 - QD1   LEU   73  12.80 +/- 3.87   2.199% *  0.9345% (0.18   0.31   0.02) =   0.135%  kept
          HN    LYS+  81 - QD1   LEU   63  17.59 +/- 3.90   0.427% *  0.1814% (0.53   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD1   LEU   73  13.72 +/- 2.80   0.422% *  0.1814% (0.53   0.02   0.02) =   0.005%
          QD    PHE   60 - QD1   LEU  104  12.20 +/- 2.62   0.879% *  0.0732% (0.21   0.02   0.02) =   0.004%
          QE    PHE   59 - QD1   LEU  104  10.29 +/- 2.45   1.312% *  0.0411% (0.12   0.02   0.02) =   0.004%
          HN    LYS+  66 - QD1   LEU  104  15.25 +/- 2.93   0.405% *  0.0798% (0.23   0.02   0.02) =   0.002%
          HN    LYS+  81 - QD1   LEU  104  21.59 +/- 4.11   0.355% *  0.0444% (0.13   0.02   0.02) =   0.001%
          HN    PHE   59 - QD1   LEU  104  15.50 +/- 2.43   0.325% *  0.0148% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.748, support = 6.24, residual support = 199.8:
          HN    LEU   63 - QD1   LEU   63   3.58 +/- 0.71  32.752% * 55.8581% (0.76   7.11 242.52) =  82.172%  kept
          HD21  ASN   28 - QD1   LEU   73   7.89 +/- 4.39   9.480% * 24.3740% (0.92   2.57   1.14) =  10.379%  kept
          QE    PHE   60 - QD1   LEU   63   5.49 +/- 1.85  19.313% *  3.4861% (0.20   1.71  10.14) =   3.024%  kept
          QE    PHE   60 - QD1   LEU   73   7.97 +/- 3.06  10.488% *  5.6992% (0.20   2.80   2.78) =   2.685%  kept
          HD21  ASN   28 - QD1   LEU   63  13.94 +/- 4.27   4.716% *  4.5748% (0.92   0.48   0.02) =   0.969%  kept
          HN    LEU   63 - QD1   LEU   73  10.65 +/- 2.34   2.821% *  3.4671% (0.76   0.44   0.02) =   0.439%  kept
          HD21  ASN   28 - QD1   LEU  104  13.77 +/- 4.59   3.801% *  1.5836% (0.23   0.68   0.40) =   0.270%  kept
          HN    ILE   56 - QD1   LEU   73  14.41 +/- 4.88   3.726% *  0.1331% (0.65   0.02   0.02) =   0.022%
          HN    ILE   56 - QD1   LEU   63  10.15 +/- 1.82   1.990% *  0.1331% (0.65   0.02   0.02) =   0.012%
          HZ2   TRP   87 - QD1   LEU   73  14.41 +/- 3.83   1.213% *  0.1572% (0.76   0.02   0.02) =   0.009%
          HN    LYS+ 111 - QD1   LEU   63  11.91 +/- 3.00   1.577% *  0.0572% (0.28   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD1   LEU   63  16.47 +/- 3.45   0.542% *  0.1572% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD1   LEU   73  15.55 +/- 3.97   0.791% *  0.0572% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   73  14.19 +/- 2.17   0.693% *  0.0572% (0.28   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QD1   LEU  104  17.20 +/- 6.00   0.983% *  0.0385% (0.19   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  13.92 +/- 2.60   0.936% *  0.0385% (0.19   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   63  17.22 +/- 3.60   0.510% *  0.0572% (0.28   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU  104  12.30 +/- 3.48   2.338% *  0.0100% (0.05   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  18.52 +/- 2.41   0.339% *  0.0326% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  20.32 +/- 3.95   0.525% *  0.0140% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.56 +/- 1.28   0.469% *  0.0140% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 20.7:
      O   HN    ALA   64 - HA    ALA   64   2.80 +/- 0.08 100.000% *100.0000% (0.97  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.715, support = 3.27, residual support = 46.9:
        T HZ    PHE   72 - HA    ALA   64   2.89 +/- 0.78  60.499% * 39.4733% (0.57 10.00   2.94  46.86) =  50.533%  kept
        T QD    PHE   72 - HA    ALA   64   3.74 +/- 0.79  38.653% * 60.4788% (0.87 10.00   3.60  46.86) =  49.466%  kept
          QE    PHE   45 - HA    ALA   64  11.96 +/- 1.78   0.848% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.879, support = 1.03, residual support = 3.06:
          HN    LEU   67 - HA    ALA   64   3.43 +/- 0.57  78.018% * 53.3204% (0.87   1.08   3.30) =  88.930%  kept
          QE    PHE   95 - HA    ALA   64   9.34 +/- 2.00  12.853% * 39.4391% (0.98   0.70   1.13) =  10.836%  kept
          HN    THR   23 - HA    ALA   64  15.43 +/- 3.71   1.273% *  4.8248% (0.99   0.09   0.02) =   0.131%  kept
          HE3   TRP   27 - HA    ALA   64  11.58 +/- 2.79   2.917% *  0.6468% (0.57   0.02   0.02) =   0.040%
          HD1   TRP   49 - HA    ALA   64  17.17 +/- 5.29   2.260% *  0.6011% (0.53   0.02   0.02) =   0.029%
          QD    PHE   55 - HA    ALA   64  15.20 +/- 1.60   1.309% *  0.7391% (0.65   0.02   0.02) =   0.021%
          HD2   HIS   22 - HA    ALA   64  15.66 +/- 4.23   1.370% *  0.4288% (0.38   0.02   0.02) =   0.013%
    Distance limit 4.16 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 = 0.623, support = 2.62, residual support = 4.86:
          QG2   VAL   18 - QB    ALA   64   7.20 +/- 5.84  27.686% * 33.8820% (0.84   1.70   7.55) =  42.167%  kept
          QD2   LEU   73 - QB    ALA   64   4.99 +/- 1.21  22.537% * 38.7462% (0.38   4.34   4.20) =  39.253%  kept
          QG2   THR   46 - QB    ALA   64   6.48 +/- 2.02  17.522% * 19.4875% (0.73   1.13   0.15) =  15.349%  kept
          QD1   ILE   19 - QB    ALA   64   8.68 +/- 3.87  10.247% *  6.4935% (0.38   0.73   0.02) =   2.991%  kept
          QG1   VAL   43 - QB    ALA   64   7.49 +/- 0.98   5.236% *  0.4665% (0.98   0.02   0.02) =   0.110%  kept
          QG1   VAL   41 - QB    ALA   64   9.35 +/- 0.95   2.974% *  0.4718% (0.99   0.02   0.02) =   0.063%
          QD1   ILE   56 - QB    ALA   64   7.82 +/- 1.83  10.388% *  0.0834% (0.18   0.02   0.02) =   0.039%
          HG    LEU   31 - QB    ALA   64  11.63 +/- 2.02   1.638% *  0.2504% (0.53   0.02   0.02) =   0.018%
          QD2   LEU  104 - QB    ALA   64  11.94 +/- 1.70   1.772% *  0.1187% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.00 A violated in 3 structures by 0.54 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.91, support = 1.69, residual support = 5.02:
          HB3   LEU   67 - QB    ALA   64   4.63 +/- 0.87  23.725% * 17.9625% (0.99   1.41   3.30) =  31.013%  kept
          QB    ALA   61 - QB    ALA   64   4.37 +/- 0.47  24.778% * 14.0942% (0.92   1.19   6.60) =  25.414%  kept
          HG    LEU   73 - QB    ALA   64   7.03 +/- 1.36   8.938% * 29.7802% (0.87   2.67   4.20) =  19.370%  kept
          QG    LYS+  66 - QB    ALA   64   6.43 +/- 0.62   8.466% * 27.6133% (0.98   2.19   8.14) =  17.012%  kept
          HG12  ILE   19 - QB    ALA   64  10.61 +/- 4.77   8.193% *  6.0587% (0.65   0.73   0.02) =   3.612%  kept
          HG    LEU   67 - QB    ALA   64   5.61 +/- 0.95  13.212% *  3.6129% (0.28   1.01   3.30) =   3.474%  kept
          HG    LEU   40 - QB    ALA   64   8.65 +/- 1.31   3.899% *  0.0967% (0.38   0.02   0.02) =   0.027%
          HB3   LEU  115 - QB    ALA   64   9.72 +/- 1.47   3.270% *  0.0967% (0.38   0.02   0.02) =   0.023%
          QB    ALA  110 - QB    ALA   64  11.58 +/- 1.30   1.595% *  0.1871% (0.73   0.02   0.02) =   0.022%
          HG    LEU   80 - QB    ALA   64  13.89 +/- 3.20   1.173% *  0.1969% (0.76   0.02   0.02) =   0.017%
          HB2   LEU   80 - QB    ALA   64  13.34 +/- 2.50   1.260% *  0.0642% (0.25   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - QB    ALA   64  18.10 +/- 1.78   0.404% *  0.1969% (0.76   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - QB    ALA   64  13.09 +/- 1.87   1.087% *  0.0398% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.94 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 = 0.932, support = 1.96, residual support = 4.57:
          HB3   LEU   67 - HA    ALA   64   3.59 +/- 1.25  40.124% * 28.4242% (0.99   1.98   3.30) =  60.266%  kept
          QG    LYS+  66 - HA    ALA   64   6.50 +/- 0.81  12.517% * 33.8851% (0.98   2.38   8.14) =  22.412%  kept
          HG    LEU   73 - HA    ALA   64   9.44 +/- 1.25   5.966% * 20.9293% (0.87   1.66   4.20) =   6.599%  kept
          HG    LEU   67 - HA    ALA   64   4.94 +/- 0.86  17.576% *  6.6213% (0.28   1.64   3.30) =   6.149%  kept
          QB    ALA   61 - HA    ALA   64   6.66 +/- 0.43   9.560% *  8.3968% (0.92   0.63   6.60) =   4.242%  kept
          HG12  ILE   19 - HA    ALA   64  12.53 +/- 5.54   7.194% *  0.7548% (0.65   0.08   0.02) =   0.287%  kept
          HG    LEU   40 - HA    ALA   64   9.27 +/- 1.11   2.981% *  0.1088% (0.38   0.02   0.02) =   0.017%
          HB3   LEU  115 - HA    ALA   64  12.53 +/- 1.43   1.297% *  0.1088% (0.38   0.02   0.02) =   0.007%
          HG    LEU   80 - HA    ALA   64  17.67 +/- 3.89   0.609% *  0.2216% (0.76   0.02   0.02) =   0.007%
          QB    ALA  110 - HA    ALA   64  15.07 +/- 1.54   0.641% *  0.2105% (0.73   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HA    ALA   64  21.19 +/- 2.53   0.237% *  0.2216% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   80 - HA    ALA   64  17.06 +/- 3.09   0.602% *  0.0723% (0.25   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  15.18 +/- 2.68   0.696% *  0.0447% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.7, residual support = 46.8:
        T HB3   PHE   72 - QB    ALA   64   4.51 +/- 1.50  43.388% * 99.3598% (0.76 10.00   3.71  46.86) =  99.868%  kept
          HB2   ASP-  44 - QB    ALA   64   5.22 +/- 1.50  34.471% *  0.1128% (0.87  1.00   0.02   0.02) =   0.090%
          QB    MET   11 - QB    ALA   64  16.61 +/- 4.23   4.926% *  0.1166% (0.90  1.00   0.02   0.02) =   0.013%
          QG    GLU-  15 - QB    ALA   64  12.57 +/- 4.56   3.368% *  0.1230% (0.95  1.00   0.02   0.02) =   0.010%
          QG    GLU-  14 - QB    ALA   64  13.72 +/- 3.67   2.963% *  0.1086% (0.84  1.00   0.02   0.02) =   0.007%
          HG12  ILE  119 - QB    ALA   64   8.70 +/- 1.45   7.129% *  0.0443% (0.34  1.00   0.02   0.02) =   0.007%
          QG    GLN   90 - QB    ALA   64  15.52 +/- 2.14   1.240% *  0.0893% (0.69  1.00   0.02   0.02) =   0.003%
          HG2   MET   92 - QB    ALA   64  13.92 +/- 2.12   1.628% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    ALA   64  17.02 +/- 2.59   0.886% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 8 structures by 1.01 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 2.42, residual support = 6.6:
        T HA    ALA   61 - QB    ALA   64   3.29 +/- 0.71  68.201% * 99.3452% (1.00 10.00   2.43   6.60) =  99.905%  kept
          HD2   PRO   68 - QB    ALA   64   6.62 +/- 0.89  10.347% *  0.5618% (0.92  1.00   0.12   0.02) =   0.086%
          HA    VAL   75 - QB    ALA   64   7.06 +/- 1.21  15.112% *  0.0248% (0.25  1.00   0.02   0.02) =   0.006%
          HD3   PRO   58 - QB    ALA   64   9.13 +/- 1.12   3.898% *  0.0485% (0.49  1.00   0.02   0.02) =   0.003%
          HA    VAL   24 - QB    ALA   64  12.14 +/- 2.88   2.442% *  0.0197% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 2.5, residual support = 7.45:
          HA    VAL   18 - QB    ALA   64   8.96 +/- 6.89  31.022% * 94.7205% (0.90   2.53   7.55) =  98.785%  kept
          HA    SER   48 - QB    ALA   64  11.56 +/- 4.02  17.430% *  0.7897% (0.95   0.02   0.02) =   0.463%  kept
          HA    VAL   70 - QB    ALA   64   7.11 +/- 1.02  21.101% *  0.3432% (0.41   0.02   0.02) =   0.243%  kept
          HA    GLN  116 - QB    ALA   64  10.44 +/- 1.75  11.961% *  0.3432% (0.41   0.02   0.02) =   0.138%  kept
          HA    GLU-  29 - QB    ALA   64  14.79 +/- 3.21   4.383% *  0.7241% (0.87   0.02   0.02) =   0.107%  kept
          HD2   PRO   52 - QB    ALA   64  13.01 +/- 2.31   6.613% *  0.4392% (0.53   0.02   0.02) =   0.098%
          HB2   SER   82 - QB    ALA   64  17.38 +/- 3.16   1.875% *  0.7897% (0.95   0.02   0.02) =   0.050%
          HA    GLN   32 - QB    ALA   64  15.09 +/- 2.45   1.963% *  0.6062% (0.73   0.02   0.02) =   0.040%
          HA    ALA   88 - QB    ALA   64  18.59 +/- 2.80   1.792% *  0.6380% (0.76   0.02   0.02) =   0.038%
          HA    LYS+  33 - QB    ALA   64  15.25 +/- 2.53   1.860% *  0.6062% (0.73   0.02   0.02) =   0.038%
    Distance limit 3.79 A violated in 8 structures by 1.30 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.503, support = 1.08, residual support = 0.8:
        T HA    GLN   17 - QB    ALA   64  10.86 +/- 6.81  27.908% * 91.4186% (0.49 10.00   1.14   0.85) =  93.730%  kept
        T HA    VAL   42 - QB    ALA   64   7.75 +/- 1.06  26.436% *  3.2246% (0.98 10.00   0.02   0.02) =   3.132%  kept
          HA    THR   46 - QB    ALA   64   9.57 +/- 1.97  20.479% *  2.6534% (0.41  1.00   0.39   0.15) =   1.996%  kept
        T HA    PHE   55 - QB    ALA   64  12.65 +/- 2.43  12.972% *  2.2597% (0.69 10.00   0.02   0.02) =   1.077%  kept
          HA    ALA  110 - QB    ALA   64  13.26 +/- 2.02   5.329% *  0.1235% (0.38  1.00   0.02   0.02) =   0.024%
          HA    SER   37 - QB    ALA   64  15.54 +/- 1.41   3.648% *  0.1601% (0.49  1.00   0.02   0.02) =   0.021%
          HA    GLN   90 - QB    ALA   64  16.26 +/- 2.11   3.229% *  0.1601% (0.49  1.00   0.02   0.02) =   0.019%
    Distance limit 4.14 A violated in 11 structures by 1.94 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.996, support = 2.19, residual support = 7.53:
          HN    VAL   18 - QB    ALA   64   9.76 +/- 6.86  52.788% * 99.5873% (1.00   2.19   7.55) =  99.826%  kept
          HN    GLU-  29 - QB    ALA   64  13.84 +/- 3.11  30.039% *  0.1595% (0.18   0.02   0.02) =   0.091%
          HN    SER   13 - QB    ALA   64  16.32 +/- 3.70  17.173% *  0.2532% (0.28   0.02   0.02) =   0.083%
    Distance limit 3.96 A violated in 12 structures by 5.84 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.816, support = 5.78, residual support = 46.9:
        T QD    PHE   72 - QB    ALA   64   3.13 +/- 0.95  44.366% * 84.9931% (0.87 10.00   5.86  46.86) =  82.949%  kept
          HZ    PHE   72 - QB    ALA   64   2.95 +/- 0.86  51.865% * 14.9396% (0.57  1.00   5.39  46.86) =  17.045%  kept
          QE    PHE   45 - QB    ALA   64   9.15 +/- 1.50   3.769% *  0.0673% (0.69  1.00   0.02   0.02) =   0.006%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - QB    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 159.1:
      O   HN    LYS+  65 - HA    LYS+  65   2.79 +/- 0.07  99.389% * 99.9887% (0.71  10.0   6.08 159.15) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.95 +/- 1.79   0.611% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.721, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  15.77 +/- 7.93  26.462% * 34.8898% (0.87   0.02   0.02) =  61.053%  kept
          HN    SER   82 - HA    LYS+  65  21.96 +/- 5.08   8.437% * 26.7825% (0.67   0.02   0.02) =  14.942%  kept
          HN    SER  117 - HA    LYS+  65  17.29 +/- 1.25   5.872% * 28.1870% (0.71   0.02   0.02) =  10.945%  kept
          HN    SER  117 - HA    LYS+ 121   8.76 +/- 1.01  45.382% *  3.1809% (0.08   0.02   0.02) =   9.546%  kept
          HN    GLY   16 - HA    LYS+ 121  18.82 +/- 4.46  12.340% *  3.9373% (0.10   0.02   0.02) =   3.213%  kept
          HN    SER   82 - HA    LYS+ 121  29.10 +/- 4.32   1.508% *  3.0224% (0.08   0.02   0.02) =   0.301%  kept
    Distance limit 3.53 A violated in 20 structures by 4.44 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.87, residual support = 29.3:
          HN    LYS+  65 - QB    ALA   64   2.84 +/- 0.29 100.000% *100.0000% (0.31   4.87  29.28) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.09, residual support = 46.9:
          QE    PHE   72 - HA    ALA   64   2.62 +/- 0.61  98.834% * 99.3488% (0.65   4.09  46.86) =  99.992%  kept
          HD22  ASN   28 - HA    ALA   64  15.36 +/- 3.24   1.166% *  0.6512% (0.87   0.02   0.02) =   0.008%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.96, residual support = 4.15:
          HA    ASP-  62 - QB    LYS+  65   2.84 +/- 0.58  96.350% * 98.0110% (0.80   1.96   4.15) =  99.980%  kept
          HA    SER   82 - QB    LYS+  65  21.83 +/- 5.49   1.002% *  0.8093% (0.65   0.02   0.02) =   0.009%
          HB    THR   26 - QB    LYS+  65  17.23 +/- 4.37   0.954% *  0.7082% (0.57   0.02   0.02) =   0.007%
          HA    SER  117 - QB    LYS+  65  15.34 +/- 1.29   0.942% *  0.2785% (0.22   0.02   0.02) =   0.003%
          HA    GLU-  25 - QB    LYS+  65  19.51 +/- 4.44   0.752% *  0.1930% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.71, residual support = 159.1:
      O   HN    LYS+  65 - QB    LYS+  65   2.18 +/- 0.16 100.000% *100.0000% (0.76  10.0   6.71 159.15) = 100.000%  kept
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.53, support = 6.01, residual support = 29.9:
          HN    LYS+  66 - QB    LYS+  65   3.00 +/- 0.40  81.097% * 92.7161% (0.53   6.06  30.19) =  99.097%  kept
          QD    PHE   60 - QB    LYS+  65   6.84 +/- 0.97   9.869% *  6.6551% (0.97   0.24   0.02) =   0.866%  kept
          HN    LYS+  81 - QB    LYS+  65  18.91 +/- 4.73   4.505% *  0.5501% (0.95   0.02   0.02) =   0.033%
          QE    PHE   59 - QB    LYS+  65   8.96 +/- 1.18   4.529% *  0.0787% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.12 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.28, residual support = 159.1:
          HN    LYS+  65 - HG2   LYS+  65   3.64 +/- 0.53 100.000% *100.0000% (0.31   5.28 159.15) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.827, support = 5.12, residual support = 138.0:
      O T HA    LYS+  65 - HG3   LYS+  65   3.40 +/- 0.37  49.382% * 57.2471% (0.87  10.0 10.00   5.27 159.15) =  85.337%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.77 +/- 0.64  12.354% * 39.1477% (0.59   1.0 10.00   4.23  15.12) =  14.599%  kept
        T HA    GLN   32 - HG3   LYS+ 102  16.18 +/- 4.49   1.108% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.012%
        T HA    LYS+  65 - HG3   LYS+  33  18.04 +/- 4.24   0.544% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.008%
          QB    SER   48 - HG3   LYS+  65  15.14 +/- 5.95  11.276% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.006%
        T HD2   PRO   52 - HG3   LYS+ 106  20.25 +/- 3.66   0.625% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - HG3   LYS+  65  21.78 +/- 3.73   0.281% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   48 - HG3   LYS+  65  15.74 +/- 5.85   3.478% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - HG3   LYS+  33  19.09 +/- 5.89   1.075% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 106  19.94 +/- 2.61   0.329% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 102  24.88 +/- 2.91   0.159% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.26 +/- 3.30   0.384% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  65  17.19 +/- 7.57   1.379% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HG3   LYS+  65  23.16 +/- 5.89   1.191% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  33  13.71 +/- 3.65   1.287% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 102  18.74 +/- 6.40   0.720% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 106  14.69 +/- 4.67   1.016% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  17.97 +/- 2.37   0.404% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG3   LYS+  65  16.91 +/- 3.38   0.499% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 102  23.26 +/- 5.75   0.500% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  65  15.95 +/- 2.72   0.710% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  33  20.64 +/- 5.38   0.776% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+  65  25.79 +/- 5.43   0.457% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 106  22.83 +/- 5.27   0.768% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 106   9.28 +/- 1.22   3.293% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  16.88 +/- 3.90   0.793% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.07 +/- 4.06   0.209% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  23.41 +/- 4.40   0.224% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  25.93 +/- 5.84   0.186% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  18.64 +/- 2.97   0.383% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  22.19 +/- 5.27   0.291% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  19.13 +/- 2.84   0.390% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.71 +/- 2.90   0.582% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  25.57 +/- 4.18   0.168% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  17.34 +/- 2.97   0.473% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.05 +/- 3.83   0.201% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.35 +/- 2.65   0.085% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  18.27 +/- 2.72   0.606% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  29.64 +/- 5.26   0.112% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  24.52 +/- 3.61   0.296% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.26 +/- 1.60   0.388% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.15 +/- 4.50   0.156% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.78 +/- 4.55   0.224% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.53 +/- 2.51   0.236% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.345, support = 2.79, residual support = 23.1:
          HN    ASP- 105 - HG3   LYS+ 106   4.39 +/- 0.46  76.489% * 76.6540% (0.34   2.87  23.78) =  96.970%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.31 +/- 1.15  10.067% * 17.4279% (0.65   0.34   0.02) =   2.902%  kept
          HN    ASP- 105 - HG3   LYS+  33  16.26 +/- 2.22   2.191% *  1.0990% (0.69   0.02   0.02) =   0.040%
          HN    ALA   88 - HG3   LYS+  65  25.02 +/- 5.39   1.666% *  0.8998% (0.57   0.02   0.02) =   0.025%
          HN    ASP- 105 - HG3   LYS+  65  20.06 +/- 1.90   0.895% *  1.2727% (0.80   0.02   0.02) =   0.019%
          HN    PHE   55 - HG3   LYS+  65  15.14 +/- 2.43   3.566% *  0.2452% (0.15   0.02   0.02) =   0.014%
          HN    ALA   88 - HG3   LYS+ 106  18.16 +/- 3.42   1.735% *  0.3777% (0.24   0.02   0.02) =   0.011%
          HN    ALA   88 - HG3   LYS+ 102  24.31 +/- 4.70   0.728% *  0.7323% (0.46   0.02   0.02) =   0.009%
          HN    ALA   88 - HG3   LYS+  33  28.33 +/- 5.48   0.439% *  0.7771% (0.49   0.02   0.02) =   0.006%
          HN    PHE   55 - HG3   LYS+ 106  19.61 +/- 3.04   1.549% *  0.1029% (0.06   0.02   0.02) =   0.003%
          HN    PHE   55 - HG3   LYS+ 102  28.79 +/- 3.20   0.363% *  0.1996% (0.13   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+  33  28.57 +/- 2.39   0.312% *  0.2118% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.22, residual support = 118.9:
      O   HN    LYS+  66 - HA    LYS+  66   2.90 +/- 0.04  94.606% * 99.6126% (0.53  10.0   5.22 118.89) =  99.993%  kept
          QD    PHE   60 - HA    LYS+  66   9.94 +/- 0.84   2.540% *  0.1827% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+  81 - HA    LYS+  66  23.11 +/- 4.99   0.675% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    LYS+  66  11.18 +/- 1.82   2.179% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.27, residual support = 118.9:
      O   HN    LYS+  66 - QB    LYS+  66   2.29 +/- 0.17  94.092% * 99.6126% (0.53  10.0   5.27 118.89) =  99.994%  kept
          QD    PHE   60 - QB    LYS+  66   8.25 +/- 0.62   2.130% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   8.66 +/- 2.28   3.489% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - QB    LYS+  66  20.87 +/- 4.02   0.290% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.52, support = 4.76, residual support = 117.6:
          HN    LYS+  66 - QG    LYS+  66   3.18 +/- 0.59  63.736% * 93.6424% (0.53   4.78 118.89) =  98.776%  kept
          HN    LYS+  66 - HG    LEU   67   6.00 +/- 0.84  14.749% *  4.7173% (0.04   3.13  13.85) =   1.151%  kept
          QD    PHE   60 - QG    LYS+  66   8.77 +/- 1.00   4.018% *  0.7183% (0.97   0.02   0.02) =   0.048%
          QE    PHE   59 - QG    LYS+  66   9.46 +/- 2.21   6.083% *  0.1007% (0.14   0.02   0.02) =   0.010%
          HN    LYS+  81 - QG    LYS+  66  21.67 +/- 3.78   0.675% *  0.7041% (0.95   0.02   0.02) =   0.008%
          QD    PHE   60 - HG    LEU   67   8.97 +/- 2.10   6.983% *  0.0553% (0.07   0.02   0.02) =   0.006%
          QE    PHE   59 - HG    LEU   67  10.50 +/- 2.11   3.396% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  21.18 +/- 3.24   0.359% *  0.0542% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 5.13, residual support = 118.8:
          HN    LYS+  66 - QD    LYS+  66   4.20 +/- 0.55  62.338% * 98.2795% (0.53   5.14 118.89) =  99.896%  kept
          QD    PHE   60 - QD    LYS+  66   9.57 +/- 0.86   5.900% *  0.7017% (0.97   0.02   0.02) =   0.068%
          HN    LYS+  81 - QD    LYS+  66  22.20 +/- 4.29   1.152% *  0.6878% (0.95   0.02   0.02) =   0.013%
          QE    PHE   59 - QD    LYS+  66  10.16 +/- 2.57   7.295% *  0.0984% (0.14   0.02   0.02) =   0.012%
          QD    PHE   60 - HD2   LYS+ 121  12.07 +/- 2.14   5.085% *  0.0873% (0.12   0.02   0.02) =   0.007%
          QE    PHE   59 - HD2   LYS+ 121   7.17 +/- 1.20  15.963% *  0.0122% (0.02   0.02   0.02) =   0.003%
          HN    LYS+  66 - HD2   LYS+ 121  15.18 +/- 2.99   1.981% *  0.0476% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HD2   LYS+ 121  26.92 +/- 3.55   0.287% *  0.0855% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.53, residual support = 58.7:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  70.535% * 41.2721% (0.47  10.0 10.00   3.02  59.16) =  72.801%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.66 +/- 0.30  22.655% * 46.3278% (0.53  10.0  1.00   4.94  59.16) =  26.247%  kept
          QG    LYS+  66 - HB2   LEU   67   5.93 +/- 1.04   3.420% * 10.9314% (0.61   1.0  1.00   4.10  13.85) =   0.935%  kept
        T HG    LEU   40 - HB2   LEU   67   8.84 +/- 1.87   0.880% *  0.5329% (0.61   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   LEU  115 - HB2   LEU   67  14.14 +/- 2.09   0.184% *  0.5329% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  115 - HB2   LEU   67  14.05 +/- 2.69   0.348% *  0.1774% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HB2   LEU   67   8.43 +/- 0.85   0.731% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.36 +/- 1.13   0.290% *  0.0616% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  13.74 +/- 6.12   0.518% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  21.00 +/- 3.75   0.060% *  0.0637% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  13.57 +/- 2.69   0.208% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  16.68 +/- 1.95   0.096% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  18.76 +/- 3.32   0.074% *  0.0197% (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 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 3.24, residual support = 59.1:
      O T QD1   LEU   67 - HB2   LEU   67   2.54 +/- 0.34  71.472% * 97.7611% (0.70  10.0 10.00   3.25  59.16) =  99.828%  kept
          QD2   LEU   71 - HB2   LEU   67   7.24 +/- 2.14   7.976% *  0.9818% (0.22   1.0  1.00   0.63   0.02) =   0.112%  kept
        T QD2   LEU   40 - HB2   LEU   67   8.26 +/- 1.61   2.842% *  0.9929% (0.71   1.0 10.00   0.02   0.02) =   0.040%
          HG3   LYS+  74 - HB2   LEU   67   9.85 +/- 3.71  14.977% *  0.0811% (0.58   1.0  1.00   0.02   0.02) =   0.017%
          HB    VAL   75 - HB2   LEU   67   9.90 +/- 1.44   1.628% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   LEU   67  14.01 +/- 2.96   0.574% *  0.0908% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  14.16 +/- 2.61   0.531% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 59.1:
          HA    LEU   67 - QD2   LEU   67   3.01 +/- 0.68  94.540% * 98.8214% (0.53   2.76  59.16) =  99.931%  kept
          HA    ASP-  76 - QD2   LEU   67  11.95 +/- 2.87   5.460% *  1.1786% (0.87   0.02   0.02) =   0.069%
    Distance limit 3.02 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 = 0.726, support = 2.93, residual support = 59.0:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  69.785% * 96.8242% (0.73  10.0  1.00   2.94  59.16) =  99.738%  kept
        T HG    LEU  115 - QD1   LEU   67  11.95 +/- 2.93   6.883% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.135%  kept
        T HB2   LYS+  74 - QD1   LEU   67   7.45 +/- 3.00  14.605% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.089%
        T HG    LEU   40 - QD1   LEU   67   7.47 +/- 1.42   2.195% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.026%
        T HG    LEU   73 - QD1   LEU   67   8.93 +/- 1.31   1.150% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   40 - QD1   LEU   67   7.53 +/- 1.41   2.170% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU  115 - QD1   LEU   67  11.95 +/- 2.36   1.321% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU   67  11.69 +/- 2.19   0.689% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  11.56 +/- 2.61   0.965% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  17.06 +/- 3.46   0.237% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.324, support = 3.22, residual support = 58.1:
      O T HB2   LEU   67 - QD1   LEU   67   2.54 +/- 0.34  75.292% * 75.9791% (0.31  10.0 10.00   3.25  59.16) =  97.495%  kept
          HG2   PRO   68 - QD1   LEU   67   6.73 +/- 0.78   6.307% * 22.9604% (0.92   1.0  1.00   2.02  18.85) =   2.468%  kept
          HB    ILE   19 - QD1   LEU   67  10.82 +/- 4.72   3.154% *  0.2135% (0.87   1.0  1.00   0.02   0.02) =   0.011%
          HB2   GLN   17 - QD1   LEU   67  10.82 +/- 6.69   7.842% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU  115 - QD1   LEU   67  12.63 +/- 2.47   2.433% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - QD1   LEU   67  11.39 +/- 5.49   2.969% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD1   LEU   67  14.18 +/- 2.07   0.648% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   LEU   67  13.09 +/- 1.34   0.700% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  17.39 +/- 2.72   0.316% *  0.1104% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   LEU   67  17.22 +/- 2.25   0.339% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.14, residual support = 59.1:
      O   QD2   LEU   67 - HG    LEU   67   2.10 +/- 0.02  82.930% * 99.2738% (0.87  10.0  1.00   3.14  59.16) =  99.971%  kept
        T QD1   LEU   40 - HG    LEU   67   7.36 +/- 1.71   3.323% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.028%
          QD2   LEU   67 - QG    LYS+  66   5.26 +/- 1.15   8.033% *  0.0076% (0.07   1.0  1.00   0.02  13.85) =   0.001%
          QG2   ILE  119 - HG    LEU   67  11.25 +/- 2.29   0.830% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.66 +/- 1.09   1.051% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   8.39 +/- 2.81   3.831% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.73, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  13.76 +/- 2.44  26.532% * 52.9912% (0.98   0.02   0.02) =  47.208%  kept
          QG1   VAL   83 - QD1   LEU   67  13.24 +/- 2.27  29.997% * 34.9728% (0.65   0.02   0.02) =  35.224%  kept
          QD1   LEU  104 - QD1   LEU   67  10.77 +/- 3.16  43.471% * 12.0360% (0.22   0.02   0.02) =  17.568%  kept
    Distance limit 3.22 A violated in 18 structures by 5.99 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 3.09, residual support = 27.8:
        T HZ    PHE   72 - QD1   LEU   67   3.24 +/- 0.50  53.327% * 75.7718% (0.97 10.00   3.51  27.81) =  78.780%  kept
        T QD    PHE   72 - QD1   LEU   67   3.66 +/- 0.76  44.957% * 24.2087% (0.41 10.00   1.50  27.81) =  21.219%  kept
          QE    PHE   45 - QD1   LEU   67  10.62 +/- 1.53   1.716% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 27.8:
          QE    PHE   72 - QD1   LEU   67   2.47 +/- 0.59  95.626% * 99.2519% (0.80   3.99  27.81) =  99.988%  kept
          QD    PHE   95 - QD1   LEU   67   8.90 +/- 1.90   3.432% *  0.1915% (0.31   0.02   0.02) =   0.007%
          HN    ALA   47 - QD1   LEU   67  13.22 +/- 2.24   0.942% *  0.5565% (0.90   0.02   0.02) =   0.006%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.63, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  17.47 +/- 3.55   8.643% * 57.9196% (0.73 10.00   0.02   0.02) =  61.470%  kept
        T HA    LEU  115 - HG    LEU   67  15.45 +/- 2.57   9.745% * 15.7849% (0.20 10.00   0.02   0.02) =  18.890%  kept
          HA    ALA  124 - HG    LEU   67  17.23 +/- 5.15   8.654% *  6.6623% (0.84  1.00   0.02   0.02) =   7.080%  kept
          HA    GLU-  36 - HG    LEU   67  18.15 +/- 3.43   5.350% *  7.5452% (0.95  1.00   0.02   0.02) =   4.957%  kept
          HA    LYS+  81 - HG    LEU   67  21.71 +/- 3.69   3.719% *  7.9057% (0.99  1.00   0.02   0.02) =   3.611%  kept
          HA    ASN   28 - HG    LEU   67  17.25 +/- 2.90   5.809% *  1.7758% (0.22  1.00   0.02   0.02) =   1.267%  kept
          HA    ALA  124 - QG    LYS+  66  14.76 +/- 4.67  14.602% *  0.5129% (0.06  1.00   0.02   0.02) =   0.920%  kept
          HA    ARG+  54 - QG    LYS+  66  13.93 +/- 1.91  13.241% *  0.4459% (0.06  1.00   0.02   0.02) =   0.725%  kept
          HA    LYS+  81 - QG    LYS+  66  21.94 +/- 4.21   6.771% *  0.6086% (0.08  1.00   0.02   0.02) =   0.506%  kept
          HA    GLU-  36 - QG    LYS+  66  20.00 +/- 2.69   3.715% *  0.5808% (0.07  1.00   0.02   0.02) =   0.265%  kept
          HA    LEU  115 - QG    LYS+  66  13.94 +/- 2.69  11.603% *  0.1215% (0.02  1.00   0.02   0.02) =   0.173%  kept
          HA    ASN   28 - QG    LYS+  66  18.55 +/- 3.93   8.148% *  0.1367% (0.02  1.00   0.02   0.02) =   0.137%  kept
    Distance limit 4.04 A violated in 20 structures by 5.19 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.68, residual support = 58.9:
      O   HA    LEU   67 - HG    LEU   67   3.42 +/- 0.53  70.692% * 98.0624% (0.15  10.0   3.68  59.16) =  99.519%  kept
          HA    LEU   67 - QG    LYS+  66   5.30 +/- 0.98  25.151% *  1.2770% (0.01   1.0   3.38  13.85) =   0.461%  kept
          HA    ASP-  76 - HG    LEU   67  13.81 +/- 2.81   2.055% *  0.6134% (0.97   1.0   0.02   0.02) =   0.018%
          HA    ASP-  76 - QG    LYS+  66  14.68 +/- 2.52   2.102% *  0.0472% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 0.526, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  13.79 +/- 2.66   7.914% * 26.7757% (0.87   0.02   0.02) =  34.973%  kept
          QD    PHE   60 - HG    LEU   67   8.97 +/- 2.10  22.355% *  5.4059% (0.18   0.02   0.02) =  19.945%  kept
          QE    PHE   95 - HG    LEU   67  12.07 +/- 2.18   8.457% * 11.5851% (0.38   0.02   0.02) =  16.171%  kept
          QD    PHE   55 - HG    LEU   67  17.74 +/- 2.66   2.543% * 24.7171% (0.80   0.02   0.02) =  10.373%  kept
          HN    THR   23 - HG    LEU   67  17.98 +/- 3.30   3.345% * 10.5293% (0.34   0.02   0.02) =   5.813%  kept
          HN    LYS+  81 - HG    LEU   67  21.18 +/- 3.24   1.990% * 13.8391% (0.45   0.02   0.02) =   4.546%  kept
          QE    PHE   95 - QG    LYS+  66  11.56 +/- 2.55  13.158% *  0.8918% (0.03   0.02   0.02) =   1.937%  kept
          HE3   TRP   27 - QG    LYS+  66  15.66 +/- 3.07   5.642% *  2.0612% (0.07   0.02   0.02) =   1.919%  kept
          QD    PHE   55 - QG    LYS+  66  14.49 +/- 1.66   5.249% *  1.9027% (0.06   0.02   0.02) =   1.648%  kept
          QD    PHE   60 - QG    LYS+  66   8.77 +/- 1.00  21.257% *  0.4162% (0.01   0.02   0.02) =   1.460%  kept
          HN    THR   23 - QG    LYS+  66  18.63 +/- 4.19   4.922% *  0.8106% (0.03   0.02   0.02) =   0.658%  kept
          HN    LYS+  81 - QG    LYS+  66  21.67 +/- 3.78   3.166% *  1.0653% (0.03   0.02   0.02) =   0.557%  kept
    Distance limit 3.83 A violated in 18 structures by 3.26 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.296, support = 3.01, residual support = 58.9:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  93.826% * 74.9661% (0.29  10.0 10.00   3.02  59.16) =  99.289%  kept
          HG2   PRO   68 - HB3   LEU   67   6.46 +/- 0.66   2.227% * 22.0913% (0.87   1.0  1.00   1.97  18.85) =   0.694%  kept
        T HB    ILE   19 - HB3   LEU   67  13.89 +/- 5.74   0.404% *  2.1069% (0.82   1.0 10.00   0.02   0.02) =   0.012%
          QB    GLU-  15 - HB3   LEU   67  13.97 +/- 7.16   1.455% *  0.0675% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HB3   LEU   67  13.72 +/- 8.31   1.420% *  0.0675% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HB3   LEU   67  14.95 +/- 2.26   0.242% *  0.1668% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HB3   LEU   67  15.26 +/- 1.65   0.168% *  0.1764% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.89 +/- 2.17   0.128% *  0.1945% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  21.52 +/- 3.44   0.061% *  0.1089% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.41 +/- 2.32   0.070% *  0.0541% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  13.23 +/- 1.90 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.73 A violated in 20 structures by 9.50 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.35, residual support = 59.2:
      O   HN    LEU   67 - HB3   LEU   67   3.12 +/- 0.57  91.589% * 99.4441% (0.54  10.0   4.35  59.16) =  99.990%  kept
          HD1   TRP   49 - HB3   LEU   67  18.62 +/- 5.54   3.252% *  0.1575% (0.85   1.0   0.02   0.02) =   0.006%
          HD21  ASN   35 - HB3   LEU   67  18.45 +/- 2.86   0.799% *  0.1524% (0.82   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB3   LEU   67  17.72 +/- 4.20   0.689% *  0.1722% (0.93   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   LEU   67  11.10 +/- 2.57   2.967% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  17.57 +/- 3.71   0.704% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 59.2:
      O   HA    LEU   67 - HB2   LEU   67   2.64 +/- 0.29  98.807% * 99.8354% (0.38  10.0   5.08  59.16) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  13.18 +/- 2.23   1.193% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.19, residual support = 27.8:
          QE    PHE   72 - HB2   LEU   67   3.04 +/- 0.98  95.184% * 99.0651% (0.58   3.19  27.81) =  99.981%  kept
          HN    ALA   47 - HB2   LEU   67  16.20 +/- 2.63   1.373% *  0.6955% (0.65   0.02   0.02) =   0.010%
          QD    PHE   95 - HB2   LEU   67  10.73 +/- 2.21   3.444% *  0.2394% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.79 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.02, residual support = 59.2:
      O   HN    LEU   67 - HB2   LEU   67   3.08 +/- 0.56  89.495% * 99.6033% (0.70  10.0   5.02  59.16) =  99.993%  kept
          HD1   TRP   49 - HB2   LEU   67  18.76 +/- 5.53   2.664% *  0.0976% (0.69   1.0   0.02   0.02) =   0.003%
          QE    PHE   95 - HB2   LEU   67  11.16 +/- 2.25   3.057% *  0.0626% (0.44   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB2   LEU   67  17.61 +/- 4.00   0.720% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  17.53 +/- 3.51   0.736% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   LEU   67  18.39 +/- 2.93   0.772% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  13.22 +/- 2.80   1.799% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  16.83 +/- 1.90   0.756% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.08, residual support = 27.8:
        T HZ    PHE   72 - HB2   LEU   67   3.95 +/- 0.93  97.386% * 99.9822% (0.63 10.00   3.08  27.81) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.80 +/- 3.37   2.614% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 2 structures by 0.33 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.544, support = 4.05, residual support = 63.5:
      O T HA    VAL   24 - HB    VAL   24   2.49 +/- 0.31  76.566% * 82.3820% (0.57  10.0 10.00   3.97  64.99) =  94.755%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.94 +/- 0.15  21.277% * 16.3856% (0.11  10.0  1.00   5.47  36.16) =   5.237%  kept
        T HA    VAL   24 - HB2   PRO   68  20.02 +/- 4.72   0.390% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.006%
          HA    LYS+  38 - HB2   PRO   68  14.45 +/- 2.81   0.690% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  17.92 +/- 2.71   0.259% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  19.84 +/- 4.82   0.818% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  86.348% * 98.0584% (0.63  10.0 10.00   3.24  64.99) =  99.988%  kept
        T QG1   VAL   24 - HB2   PRO   68  18.63 +/- 4.49   0.479% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   20 - HB    VAL   24   8.19 +/- 2.53   9.949% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HB2   PRO   68  13.65 +/- 3.80   0.580% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.35 +/- 1.07   0.623% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   PRO   68  16.55 +/- 4.44   0.449% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.11 +/- 3.83   0.390% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.08 +/- 2.41   0.302% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  20.71 +/- 5.33   0.318% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.69 +/- 5.75   0.174% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  20.89 +/- 2.38   0.104% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.67 +/- 2.97   0.283% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.351, support = 5.68, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.58 +/- 0.70  42.697% * 67.1263% (0.34  10.0   5.84  31.02) =  76.567%  kept
          HN    GLU-  25 - HB    VAL   24   3.74 +/- 0.63  40.006% * 17.5053% (0.31   1.0   5.87  34.14) =  18.709%  kept
          HN    ASN   28 - HB    VAL   24   5.51 +/- 0.48  11.806% * 14.9387% (0.66   1.0   2.33  14.53) =   4.712%  kept
          HN    ASP-  44 - HB2   PRO   68  14.54 +/- 2.50   1.813% *  0.0795% (0.41   1.0   0.02   0.02) =   0.004%
          HN    ASN   28 - HB2   PRO   68  19.52 +/- 4.87   0.810% *  0.1576% (0.81   1.0   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB    VAL   24  14.47 +/- 3.95   1.470% *  0.0647% (0.33   1.0   0.02   0.02) =   0.003%
          HN    ASN   69 - HB    VAL   24  19.90 +/- 3.99   0.829% *  0.0547% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  22.57 +/- 5.11   0.570% *  0.0732% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.66 +/- 0.29  99.541% * 99.8774% (0.33  10.0   4.68  64.99) =  99.999%  kept
          HN    VAL   24 - HB2   PRO   68  21.94 +/- 4.80   0.459% *  0.1226% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.18 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 = 3.06, residual support = 36.2:
      O   HD3   PRO   68 - HG2   PRO   68   2.66 +/- 0.29  97.575% * 99.5120% (0.57  10.0   3.06  36.16) =  99.998%  kept
          HB2   PHE   59 - HG2   PRO   68  13.78 +/- 2.71   1.149% *  0.0580% (0.33   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG2   PRO   68  18.52 +/- 2.57   0.387% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  21.39 +/- 3.70   0.271% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  18.67 +/- 2.44   0.350% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  21.78 +/- 3.20   0.268% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 36.2:
      O   HD2   PRO   68 - HG2   PRO   68   2.53 +/- 0.28  95.653% * 99.8205% (0.63  10.0   2.91  36.16) =  99.997%  kept
          HA    ALA   61 - HG2   PRO   68  11.51 +/- 1.60   1.402% *  0.0826% (0.52   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   PRO   68  19.60 +/- 4.71   1.624% *  0.0656% (0.42   1.0   0.02   0.02) =   0.001%
          HA    LYS+  38 - HG2   PRO   68  14.78 +/- 3.04   0.835% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  16.10 +/- 2.27   0.485% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.711, support = 4.81, residual support = 63.7:
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.29  45.930% * 69.4284% (0.84  10.0  1.00   4.79  36.16) =  78.234%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.72 +/- 0.20  37.996% * 22.1311% (0.27  10.0 10.00   4.96 170.76) =  20.630%  kept
          QB    PHE   55 - HG2   ARG+  54   5.59 +/- 1.29   8.888% *  2.9785% (0.20   1.0  1.00   3.51   4.05) =   0.650%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.20 +/- 0.82   4.533% *  4.3266% (0.26   1.0  1.00   3.98  31.76) =   0.481%  kept
        T HD2   ARG+  54 - HG3   PRO   68  21.25 +/- 3.68   0.125% *  0.8294% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HG2   ARG+  54  11.89 +/- 3.00   1.040% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  13.76 +/- 2.65   0.436% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  18.46 +/- 2.63   0.160% *  0.0815% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.62 +/- 2.35   0.155% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.81 +/- 3.11   0.097% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  12.37 +/- 1.12   0.427% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  18.88 +/- 3.44   0.211% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.2:
      O   HD2   PRO   68 - HG3   PRO   68   2.65 +/- 0.28  89.420% * 99.5569% (0.92  10.0  1.00   4.62  36.16) =  99.995%  kept
        T HA    LYS+  38 - HG3   PRO   68  14.88 +/- 2.87   0.872% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HG3   PRO   68  11.42 +/- 1.59   1.517% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG2   ARG+  54  11.55 +/- 2.74   2.601% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   PRO   68  19.86 +/- 4.89   0.843% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HG2   ARG+  54   8.79 +/- 1.48   3.594% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  19.44 +/- 3.54   0.346% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  16.01 +/- 2.15   0.589% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  29.77 +/- 3.76   0.084% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  24.60 +/- 3.71   0.134% *  0.0175% (0.16   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 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 36.2:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  88.355% * 98.5022% (0.98  10.0 10.00   5.16  36.16) =  99.997%  kept
        T HD3   PRO   93 - HD2   PRO   68  20.32 +/- 2.97   0.072% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HD3   PRO   58  11.72 +/- 3.65   0.689% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   5.00 +/- 0.80   4.815% *  0.0070% (0.07   1.0  1.00   0.02  39.78) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  12.56 +/- 2.47   0.363% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.22 +/- 2.36   2.542% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.48 +/- 0.62   1.922% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  14.60 +/- 1.72   0.181% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  17.72 +/- 2.29   0.105% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  17.26 +/- 2.46   0.120% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  20.34 +/- 3.42   0.082% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.64 +/- 1.90   0.755% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.16, residual support = 36.2:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  96.701% * 99.4504% (0.92  10.0 10.00   5.16  36.16) =  99.998%  kept
          HA    ALA   61 - HD3   PRO   68   9.66 +/- 1.46   0.738% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   58 - HD3   PRO   68  14.60 +/- 1.72   0.198% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  11.72 +/- 3.65   0.753% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  18.91 +/- 4.12   0.300% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  20.32 +/- 2.97   0.079% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  13.03 +/- 3.01   0.704% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  20.11 +/- 4.82   0.304% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.11 +/- 2.08   0.191% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.62 +/- 2.27   0.031% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.09, residual support = 18.8:
      O   HA    LEU   67 - HD3   PRO   68   2.43 +/- 0.38  95.916% * 99.7870% (0.53  10.0   5.09  18.85) =  99.998%  kept
          HA    ASP-  76 - HD3   PRO   93  10.97 +/- 3.38   3.313% *  0.0302% (0.16   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   68  16.12 +/- 2.31   0.483% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    LEU   67 - HD3   PRO   93  18.99 +/- 2.67   0.289% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 18.8:
      O   HA    LEU   67 - HD2   PRO   68   2.44 +/- 0.15  97.732% * 99.8155% (0.53  10.0   4.53  18.85) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.26 +/- 2.25   0.426% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  14.74 +/- 3.59   1.265% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  14.07 +/- 1.38   0.578% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 59.1:
      O   HD21  ASN   69 - HB2   ASN   69   3.20 +/- 0.50  91.682% * 99.5864% (0.65  10.0   3.62  59.15) =  99.991%  kept
          HN    GLN   17 - HB2   ASN   69  14.32 +/- 7.01   4.214% *  0.1286% (0.84   1.0   0.02   0.02) =   0.006%
          HE3   TRP   87 - HB2   ASN   69  25.52 +/- 6.01   1.693% *  0.0934% (0.61   1.0   0.02   0.02) =   0.002%
          HN    TRP   87 - HB2   ASN   69  26.36 +/- 4.58   0.616% *  0.1057% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASN   69  15.37 +/- 1.75   1.275% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB2   ASN   69  26.33 +/- 4.12   0.521% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.37, residual support = 59.2:
      O   HN    ASN   69 - HB2   ASN   69   3.25 +/- 0.47  96.836% * 99.9414% (0.97  10.0   5.37  59.15) =  99.999%  kept
          HN    ASN   28 - HB2   ASN   69  18.74 +/- 3.43   1.054% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB2   ASN   69  15.85 +/- 4.12   2.110% *  0.0160% (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 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.58, residual support = 59.1:
      O   HD21  ASN   69 - HB3   ASN   69   2.76 +/- 0.63  92.990% * 99.7810% (0.99  10.0   3.58  59.15) =  99.993%  kept
          HN    GLN   17 - HB3   ASN   69  14.14 +/- 6.91   5.923% *  0.0987% (0.98   1.0   0.02   0.02) =   0.006%
          HN    TRP   87 - HB3   ASN   69  26.10 +/- 4.73   0.328% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  25.29 +/- 5.89   0.760% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 59.2:
      O   HN    ASN   69 - HB3   ASN   69   3.21 +/- 0.41  96.997% * 99.9414% (0.97  10.0   4.86  59.15) =  99.999%  kept
          HN    ASN   28 - HB3   ASN   69  18.31 +/- 3.56   1.234% *  0.0426% (0.41   1.0   0.02   0.02) =   0.001%
          HN    GLY  101 - HB3   ASN   69  15.54 +/- 3.45   1.768% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.04, residual support = 58.9:
          HD21  ASN   69 - HA    ASN   69   3.54 +/- 0.59  79.307% * 89.7416% (0.20   3.06  59.15) =  99.601%  kept
          HN    GLN   17 - HA    ASN   69  13.16 +/- 7.86  13.948% *  1.0122% (0.34   0.02   0.02) =   0.198%  kept
          HE3   TRP   87 - HA    ASN   69  24.84 +/- 6.21   2.395% *  2.9411% (0.99   0.02   0.02) =   0.099%
          HN    ALA   61 - HA    ASN   69  14.51 +/- 1.71   1.754% *  2.3761% (0.80   0.02   0.02) =   0.058%
          HN    ALA   91 - HA    ASN   69  25.29 +/- 4.15   0.643% *  2.1547% (0.73   0.02   0.02) =   0.019%
          HN    TRP   27 - HA    ASN   69  17.80 +/- 2.81   1.153% *  1.1137% (0.38   0.02   0.02) =   0.018%
          HN    TRP   87 - HA    ASN   69  25.45 +/- 4.84   0.800% *  0.6606% (0.22   0.02   0.02) =   0.007%
    Distance limit 3.86 A violated in 0 structures by 0.06 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  12.94 +/- 2.65 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.66 A violated in 20 structures by 9.28 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.396, support = 0.0199, residual support = 0.0199:
        T QB    ALA   88 - HB2   SER   82  10.33 +/- 0.56   7.437% * 37.0886% (0.42 10.00   0.02   0.02) =  41.675%  kept
        T QB    ALA   88 - HA    SER   48  13.78 +/- 3.92   8.632% * 17.4364% (0.20 10.00   0.02   0.02) =  22.740%  kept
          QG2   THR   77 - HA    SER   48   8.00 +/- 3.17  20.253% *  1.9923% (0.23  1.00   0.02   0.02) =   6.096%  kept
          HG2   LYS+  38 - HA    VAL   70  11.24 +/- 1.99   8.333% *  4.6421% (0.53  1.00   0.02   0.02) =   5.844%  kept
          HG2   LYS+  99 - HA    VAL   70  11.68 +/- 3.60   9.812% *  3.6274% (0.41  1.00   0.02   0.02) =   5.378%  kept
          QG2   THR   77 - HB2   SER   82  10.55 +/- 1.45   7.925% *  4.2379% (0.48  1.00   0.02   0.02) =   5.074%  kept
          QG2   THR   77 - HA    VAL   70  14.27 +/- 1.70   3.586% *  8.7452% (0.99  1.00   0.02   0.02) =   4.738%  kept
          QB    ALA   88 - HA    VAL   70  22.28 +/- 3.86   3.113% *  7.6536% (0.87  1.00   0.02   0.02) =   3.600%  kept
          HB2   LEU   31 - HA    VAL   70  12.08 +/- 3.09   8.384% *  1.3614% (0.15  1.00   0.02   0.02) =   1.724%  kept
          QG2   THR   23 - HB2   SER   82  18.01 +/- 8.10   6.520% *  0.9519% (0.11  1.00   0.02   0.02) =   0.938%  kept
          QG2   THR   23 - HA    VAL   70  16.47 +/- 1.75   1.962% *  1.9644% (0.22  1.00   0.02   0.02) =   0.582%  kept
          HB2   LEU   31 - HB2   SER   82  22.55 +/- 9.18   3.957% *  0.6597% (0.07  1.00   0.02   0.02) =   0.394%  kept
          HG2   LYS+ 111 - HA    VAL   70  21.40 +/- 3.15   0.936% *  1.7461% (0.20  1.00   0.02   0.02) =   0.247%  kept
          QG2   THR   23 - HA    SER   48  18.52 +/- 5.33   2.850% *  0.4475% (0.05  1.00   0.02   0.02) =   0.193%  kept
          HG2   LYS+  99 - HB2   SER   82  26.98 +/- 5.58   0.721% *  1.7578% (0.20  1.00   0.02   0.02) =   0.191%  kept
          HG2   LYS+  38 - HB2   SER   82  28.43 +/- 4.82   0.474% *  2.2495% (0.25  1.00   0.02   0.02) =   0.161%  kept
          HG2   LYS+ 111 - HA    SER   48  18.62 +/- 3.66   2.635% *  0.3978% (0.05  1.00   0.02   0.02) =   0.158%  kept
          HG2   LYS+ 111 - HB2   SER   82  24.44 +/- 4.30   0.778% *  0.8462% (0.10  1.00   0.02   0.02) =   0.099%
          HG2   LYS+  38 - HA    SER   48  28.75 +/- 3.65   0.415% *  1.0576% (0.12  1.00   0.02   0.02) =   0.066%
          HG2   LYS+  99 - HA    SER   48  26.73 +/- 3.45   0.504% *  0.8264% (0.09  1.00   0.02   0.02) =   0.063%
          HB2   LEU   31 - HA    SER   48  23.95 +/- 4.82   0.774% *  0.3102% (0.04  1.00   0.02   0.02) =   0.036%
    Distance limit 3.57 A violated in 17 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 34.2:
      O   HN    LEU   71 - HA    VAL   70   2.25 +/- 0.08  96.884% * 99.7573% (0.87  10.0   5.92  34.22) =  99.999%  kept
          HN    THR   26 - HB2   SER   82  21.30 +/-10.52   1.153% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  19.27 +/- 2.72   0.196% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.32 +/- 2.28   0.260% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  16.43 +/- 2.99   0.367% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.52 +/- 2.84   0.099% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  20.29 +/- 3.39   0.196% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  19.44 +/- 2.73   0.197% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  25.86 +/- 3.23   0.073% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  22.81 +/- 6.21   0.272% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  18.99 +/- 2.97   0.232% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  25.97 +/- 3.20   0.072% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.902, support = 3.39, residual support = 48.3:
        T HZ    PHE   72 - HB    VAL   70   4.66 +/- 1.10  22.075% * 94.0415% (1.00 10.00   3.30  48.31) =  86.106%  kept
          QD    PHE   72 - HB    VAL   70   2.90 +/- 0.68  57.773% *  5.7589% (0.31  1.00   3.96  48.31) =  13.800%  kept
        T HZ    PHE   72 - QG    GLN   17  12.46 +/- 6.61  12.608% *  0.1747% (0.19 10.00   0.02   0.02) =   0.091%
          QD    PHE   72 - QG    GLN   17  10.30 +/- 5.38   5.704% *  0.0054% (0.06  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - HB    VAL   70  12.43 +/- 1.59   1.043% *  0.0165% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  17.19 +/- 5.07   0.797% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.32, residual support = 48.2:
          QE    PHE   72 - HB    VAL   70   2.65 +/- 0.97  77.389% * 97.6614% (0.73   4.33  48.31) =  99.661%  kept
          QE    PHE   72 - QG    GLN   17  10.66 +/- 5.76  18.111% *  1.3653% (0.13   0.33   0.02) =   0.326%  kept
          QD    PHE   95 - HB    VAL   70   9.81 +/- 2.09   3.035% *  0.2331% (0.38   0.02   0.02) =   0.009%
          HN    ALA   47 - HB    VAL   70  16.87 +/- 2.00   0.358% *  0.5876% (0.95   0.02   0.02) =   0.003%
          QD    PHE   95 - QG    GLN   17  15.52 +/- 4.22   0.850% *  0.0433% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  21.57 +/- 5.83   0.258% *  0.1092% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 79.4:
      O   HN    VAL   70 - HB    VAL   70   2.71 +/- 0.34  93.782% * 99.9336% (0.76  10.0   4.31  79.45) =  99.999%  kept
          HN    VAL   70 - QG    GLN   17  11.87 +/- 6.13   5.195% *  0.0186% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB    VAL   70  17.59 +/- 1.68   0.452% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  20.03 +/- 7.16   0.571% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.77, residual support = 79.4:
          HN    VAL   70 - QG1   VAL   70   2.38 +/- 0.44  98.003% * 98.2577% (0.28   4.77  79.45) =  99.985%  kept
          HN    THR   94 - QG1   VAL   70  12.52 +/- 2.21   1.469% *  0.5560% (0.38   0.02   0.02) =   0.008%
          HN    GLU-  79 - QG1   VAL   70  15.92 +/- 1.76   0.527% *  1.1863% (0.80   0.02   0.02) =   0.006%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.538, support = 1.54, residual support = 0.653:
          HN    VAL   42 - QG2   VAL   70   4.56 +/- 1.31  52.366% * 32.5081% (0.52   1.27   0.56) =  48.126%  kept
          HN    LEU   73 - QG2   VAL   70   5.83 +/- 0.55  30.032% * 52.0430% (0.52   2.03   0.87) =  44.186%  kept
          HN    ILE   19 - QG2   VAL   70   9.46 +/- 4.21  17.602% * 15.4488% (0.77   0.40   0.02) =   7.688%  kept
    Distance limit 3.90 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.668, support = 5.68, residual support = 34.5:
        T HG    LEU   40 - QG2   VAL   70   3.28 +/- 1.05  31.994% * 47.2338% (0.80 10.00   6.53  36.10) =  70.184%  kept
        T HB3   LEU   40 - QG2   VAL   70   3.57 +/- 1.06  27.891% * 19.4616% (0.33 10.00   3.99  36.10) =  25.210%  kept
        T HG    LEU   73 - QG2   VAL   70   7.92 +/- 0.92   2.707% * 30.6238% (0.52 10.00   2.35   0.87) =   3.849%  kept
          HG    LEU   67 - QG2   VAL   70   5.32 +/- 1.17   7.872% *  1.2625% (0.79  1.00   0.54   0.26) =   0.462%  kept
          HB3   LEU   67 - QG2   VAL   70   4.84 +/- 1.45  14.719% *  0.2109% (0.22  1.00   0.32   0.26) =   0.144%  kept
        T HB3   LEU  115 - QG2   VAL   70  10.55 +/- 2.07   2.320% *  0.4723% (0.80 10.00   0.02   0.02) =   0.051%
          QB    ALA  120 - QG2   VAL   70   9.97 +/- 2.76   2.960% *  0.3632% (0.52  1.00   0.24   0.02) =   0.050%
        T HG    LEU  115 - QG2   VAL   70  10.77 +/- 2.67   3.154% *  0.3062% (0.52 10.00   0.02   0.02) =   0.045%
          QG    LYS+  66 - QG2   VAL   70   7.74 +/- 1.18   3.095% *  0.0212% (0.36  1.00   0.02   0.02) =   0.003%
          QB    ALA   61 - QG2   VAL   70   8.42 +/- 0.91   2.681% *  0.0083% (0.14  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   VAL   70  13.88 +/- 2.75   0.607% *  0.0362% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.627, support = 3.85, residual support = 48.3:
        T QD    PHE   72 - QG2   VAL   70   2.09 +/- 0.47  84.871% * 55.2900% (0.64 10.00   3.74  48.31) =  88.467%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.44 +/- 0.39  13.694% * 44.6681% (0.52 10.00   4.64  48.31) =  11.532%  kept
          QE    PHE   45 - QG2   VAL   70   9.72 +/- 1.18   1.434% *  0.0419% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.25, residual support = 48.3:
          QE    PHE   72 - QG2   VAL   70   2.86 +/- 0.42  96.084% * 99.6710% (0.80   5.25  48.31) =  99.994%  kept
          HD22  ASN   28 - QG2   VAL   70  11.41 +/- 2.32   2.841% *  0.1294% (0.27   0.02   0.02) =   0.004%
          HN    ALA   47 - QG2   VAL   70  14.07 +/- 1.50   1.075% *  0.1996% (0.42   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.35, residual support = 34.2:
          HN    LEU   71 - QG2   VAL   70   2.79 +/- 0.55  89.248% * 99.3764% (0.76   6.35  34.22) =  99.986%  kept
          HN    GLU- 114 - QG2   VAL   70  14.27 +/- 2.21   1.193% *  0.3129% (0.76   0.02   0.02) =   0.004%
          HN    GLN  116 - QG2   VAL   70  11.95 +/- 2.57   1.938% *  0.1740% (0.42   0.02   0.02) =   0.004%
          HN    THR  118 - QG2   VAL   70  10.49 +/- 2.61   3.099% *  0.0920% (0.22   0.02   0.02) =   0.003%
          HN    PHE   60 - QG2   VAL   70   8.89 +/- 1.76   4.523% *  0.0448% (0.11   0.02   0.02) =   0.002%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.79, residual support = 48.3:
        T HZ    PHE   72 - QG1   VAL   70   5.02 +/- 0.89  34.726% * 83.4381% (0.65 10.00   2.65  48.31) =  74.146%  kept
          QD    PHE   72 - QG1   VAL   70   3.97 +/- 0.38  61.273% * 16.4836% (0.80  1.00   3.19  48.31) =  25.846%  kept
          QE    PHE   45 - QG1   VAL   70  11.23 +/- 1.34   4.000% *  0.0782% (0.61  1.00   0.02   0.02) =   0.008%
    Distance limit 3.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 1.02, residual support = 3.01:
          HA    VAL   41 - HB2   LEU   71   6.03 +/- 2.56  68.247% * 96.9531% (0.92   1.03   3.03) =  99.265%  kept
          HA    HIS  122 - HB2   LEU   71  13.20 +/- 5.41  21.541% *  1.9673% (0.97   0.02   0.02) =   0.636%  kept
          HA    PHE   45 - HB2   LEU   71  14.83 +/- 1.94   7.581% *  0.7651% (0.38   0.02   0.02) =   0.087%
          HA    MET   92 - HB2   LEU   71  20.94 +/- 3.15   2.631% *  0.3145% (0.15   0.02   0.02) =   0.012%
    Distance limit 3.71 A violated in 11 structures by 2.25 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 138.8:
      O   HN    LEU   71 - HB2   LEU   71   2.80 +/- 0.53  94.417% * 99.8011% (0.95  10.0   6.35 138.77) =  99.998%  kept
          HN    THR  118 - HB2   LEU   71  15.97 +/- 4.30   2.544% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   LEU   71  17.93 +/- 3.90   1.198% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB2   LEU   71  20.47 +/- 3.86   0.614% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB2   LEU   71  14.64 +/- 2.09   1.228% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.27, residual support = 138.8:
      O   HN    LEU   71 - HB3   LEU   71   3.30 +/- 0.47  94.230% * 99.8011% (0.95  10.0   6.27 138.77) =  99.998%  kept
          HN    THR  118 - HB3   LEU   71  16.32 +/- 4.49   2.336% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB3   LEU   71  18.19 +/- 4.11   1.196% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB3   LEU   71  20.81 +/- 4.05   0.621% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   71  14.57 +/- 2.23   1.616% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 138.8:
      O   HB2   LEU   71 - HG    LEU   71   2.63 +/- 0.23  65.216% * 99.3720% (0.97  10.0   4.93 138.77) =  99.987%  kept
          HB    VAL   41 - HG    LEU   71   9.22 +/- 2.68   3.729% *  0.0501% (0.49   1.0   0.02   3.03) =   0.003%
          HB2   LEU   71 - HG13  ILE   19  10.45 +/- 5.95  10.566% *  0.0142% (0.14   1.0   0.02   0.13) =   0.002%
          HB3   GLN   17 - HG    LEU   71  12.69 +/- 6.86   2.447% *  0.0501% (0.49   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HG    LEU   71  12.50 +/- 1.31   0.723% *  0.1009% (0.98   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG    LEU   71  11.54 +/- 1.29   0.964% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  14.58 +/- 2.88   0.537% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.32 +/- 1.21   6.863% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG    LEU   71  13.73 +/- 3.37   0.861% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  19.85 +/- 3.69   0.247% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  16.76 +/- 5.67   1.445% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  13.67 +/- 4.69   1.000% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  13.42 +/- 4.51   1.708% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  14.28 +/- 4.45   0.696% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.10 +/- 2.89   0.307% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.07 +/- 4.48   0.318% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  18.17 +/- 5.81   1.868% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.53 +/- 2.92   0.100% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.91 +/- 3.43   0.308% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  25.73 +/- 4.72   0.096% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.76, residual support = 138.8:
          HN    LEU   71 - QD2   LEU   71   2.85 +/- 0.99  86.629% * 99.7035% (0.87   6.76 138.77) =  99.988%  kept
          HN    GLU- 114 - QD2   LEU   71  16.83 +/- 4.21   2.437% *  0.1656% (0.49   0.02   0.02) =   0.005%
          HN    THR   26 - QD2   LEU   71  13.30 +/- 2.61   4.076% *  0.0848% (0.25   0.02   0.02) =   0.004%
          HN    GLN  116 - QD2   LEU   71  14.61 +/- 4.32   6.859% *  0.0461% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.96 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.49, residual support = 20.1:
          HN    PHE   72 - QD2   LEU   71   3.82 +/- 0.32  92.656% * 99.5830% (0.73   5.49  20.08) =  99.967%  kept
          HN    LEU  104 - QD2   LEU   71  10.93 +/- 2.49   7.344% *  0.4170% (0.84   0.02   0.02) =   0.033%
    Distance limit 3.38 A violated in 0 structures by 0.47 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 5.46, residual support = 43.5:
      O   HN    LEU   73 - HA    PHE   72   2.57 +/- 0.25  58.323% * 91.8892% (0.61  10.0   5.61  44.90) =  96.537%  kept
          HN    VAL   42 - HA    PHE   72   5.06 +/- 2.03  25.291% *  6.9106% (0.61   1.0   1.50   5.05) =   3.148%  kept
          HN    ILE   19 - HA    PHE   72   8.88 +/- 7.05  15.709% *  1.1083% (0.13   1.0   1.10   0.02) =   0.314%  kept
          HN    LYS+ 106 - HA    PHE   72  14.73 +/- 2.53   0.677% *  0.0919% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.05, residual support = 90.6:
      O   HN    PHE   72 - HA    PHE   72   2.91 +/- 0.04  98.538% * 99.9786% (0.71  10.0   5.05  90.59) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.70 +/- 1.87   1.462% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.384, support = 2.3, residual support = 34.6:
          HG    LEU   73 - HA    PHE   72   5.00 +/- 0.89  33.388% * 51.0883% (0.37   2.64  44.90) =  73.706%  kept
          HB3   LYS+  74 - HA    PHE   72   7.70 +/- 1.38  14.778% * 29.2413% (0.31   1.79   2.33) =  18.672%  kept
          HB3   LEU   67 - HA    PHE   72   8.45 +/- 1.61   7.336% * 12.2175% (0.66   0.35  27.81) =   3.873%  kept
          HG12  ILE   19 - HA    PHE   72   9.58 +/- 6.01  23.648% *  3.2697% (0.74   0.09   0.02) =   3.341%  kept
          QB    ALA   61 - HA    PHE   72  10.62 +/- 1.44   3.896% *  0.7662% (0.74   0.02   0.02) =   0.129%  kept
          QG    LYS+  66 - HA    PHE   72  11.86 +/- 1.43   2.547% *  0.5454% (0.52   0.02   0.19) =   0.060%
          HD3   LYS+ 121 - HA    PHE   72  14.36 +/- 4.61   3.329% *  0.3559% (0.34   0.02   0.02) =   0.051%
          QB    ALA  110 - HA    PHE   72  15.48 +/- 2.50   1.343% *  0.7869% (0.76   0.02   0.02) =   0.046%
          HG    LEU   80 - HA    PHE   72  16.80 +/- 4.40   1.308% *  0.7922% (0.76   0.02   0.02) =   0.045%
          QB    LEU   98 - HA    PHE   72   9.35 +/- 1.40   6.514% *  0.1571% (0.15   0.02   0.02) =   0.044%
          HB2   LEU   80 - HA    PHE   72  16.43 +/- 3.25   1.095% *  0.4815% (0.46   0.02   0.02) =   0.023%
          HG2   LYS+ 102 - HA    PHE   72  17.36 +/- 1.98   0.817% *  0.2980% (0.29   0.02   0.02) =   0.011%
    Distance limit 3.56 A violated in 2 structures by 0.67 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.818, support = 5.58, residual support = 44.9:
          QD2   LEU   73 - HB2   PHE   72   3.39 +/- 0.58  62.809% * 98.9692% (0.82   5.58  44.90) =  99.905%  kept
          QD1   ILE   56 - HB2   PHE   72  11.67 +/- 2.93   5.361% *  0.3491% (0.81   0.02   0.02) =   0.030%
          HG    LEU   31 - HB2   PHE   72   9.40 +/- 2.65   5.034% *  0.3245% (0.75   0.02   0.02) =   0.026%
          QG1   VAL   43 - HB2   PHE   72   6.87 +/- 2.29  18.017% *  0.0716% (0.17   0.02   0.02) =   0.021%
          QG1   VAL   41 - HB2   PHE   72   7.86 +/- 1.56   7.347% *  0.1234% (0.28   0.02   0.02) =   0.015%
          HG3   LYS+ 121 - HB2   PHE   72  14.45 +/- 3.71   1.432% *  0.1622% (0.37   0.02   0.02) =   0.004%
    Distance limit 3.76 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.31, residual support = 46.9:
        T QB    ALA   64 - HB2   PHE   72   4.51 +/- 1.33  94.200% * 99.9825% (0.84 10.00   3.31  46.86) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  14.06 +/- 1.77   5.800% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 3 structures by 0.98 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 6.06, residual support = 44.3:
          QD2   LEU   73 - HB3   PHE   72   3.72 +/- 0.89  42.593% * 96.1776% (0.72   6.15  44.90) =  98.595%  kept
          QG2   VAL   18 - HB3   PHE   72   9.13 +/- 5.87  18.402% *  2.6243% (0.33   0.37   1.32) =   1.162%  kept
          QG1   VAL   41 - HB3   PHE   72   7.68 +/- 1.75  11.712% *  0.3001% (0.69   0.02   0.02) =   0.085%
          QG1   VAL   43 - HB3   PHE   72   7.18 +/- 2.02  15.114% *  0.2273% (0.53   0.02   0.02) =   0.083%
          HG    LEU   31 - HB3   PHE   72   9.93 +/- 2.87   6.216% *  0.3545% (0.82   0.02   0.02) =   0.053%
          QD1   ILE   56 - HB3   PHE   72  11.50 +/- 3.35   2.973% *  0.2122% (0.49   0.02   0.02) =   0.015%
          QG2   THR   46 - HB3   PHE   72   9.87 +/- 1.96   2.990% *  0.1042% (0.24   0.02   0.02) =   0.007%
    Distance limit 3.63 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.71, residual support = 46.8:
        T QB    ALA   64 - HB3   PHE   72   4.51 +/- 1.50  81.129% * 99.8717% (0.63 10.00   3.71  46.86) =  99.970%  kept
          QD1   LEU  115 - HB3   PHE   72  10.82 +/- 3.52  18.871% *  0.1283% (0.19  1.00   0.08   0.02) =   0.030%
    Distance limit 3.69 A violated in 8 structures by 1.05 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.55, support = 1.04, residual support = 10.7:
        T HA    VAL   18 - HB2   PHE   72   9.51 +/- 7.34  35.856% * 68.5683% (0.47 10.00   0.86   1.32) =  77.315%  kept
          HA    VAL   70 - HB2   PHE   72   6.63 +/- 0.71  25.173% * 25.4277% (0.82  1.00   1.84  48.31) =  20.129%  kept
          HA    GLN  116 - HB2   PHE   72  13.67 +/- 4.21  15.030% *  5.1792% (0.82  1.00   0.37   0.02) =   2.448%  kept
          HA    GLU-  29 - HB2   PHE   72  13.54 +/- 3.59   8.235% *  0.1715% (0.51  1.00   0.02   0.02) =   0.044%
          HA    LYS+  33 - HB2   PHE   72  14.08 +/- 2.85   3.505% *  0.2161% (0.64  1.00   0.02   0.02) =   0.024%
          HB2   SER   37 - HB2   PHE   72  12.96 +/- 1.83   3.610% *  0.1715% (0.51  1.00   0.02   0.02) =   0.019%
          HA1   GLY   16 - HB2   PHE   72  13.86 +/- 6.76   5.068% *  0.0786% (0.23  1.00   0.02   0.02) =   0.013%
          HB2   SER   82 - HB2   PHE   72  20.44 +/- 4.03   1.068% *  0.1376% (0.41  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB2   PHE   72  16.60 +/- 3.75   2.455% *  0.0495% (0.15  1.00   0.02   0.02) =   0.004%
    Distance limit 3.81 A violated in 6 structures by 1.23 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.479, support = 1.51, residual support = 38.0:
          HA    VAL   70 - HB3   PHE   72   5.92 +/- 0.93  32.519% * 65.9756% (0.53  1.00   1.73  48.31) =  78.262%  kept
          HA    VAL   18 - HB3   PHE   72   9.83 +/- 7.57  26.692% * 12.0515% (0.15  1.00   1.10   1.32) =  11.734%  kept
          HA    GLN  116 - HB3   PHE   72  13.46 +/- 4.14  17.038% * 13.3034% (0.53  1.00   0.35   0.02) =   8.268%  kept
        T HA    GLU-  29 - HB3   PHE   72  14.00 +/- 3.99   9.616% *  2.4839% (0.17 10.00   0.02   0.02) =   0.871%  kept
        T HA    LYS+  33 - HB3   PHE   72  14.11 +/- 3.37   3.419% *  3.8740% (0.27 10.00   0.02   0.02) =   0.483%  kept
          HA1   GLY   16 - HB3   PHE   72  13.58 +/- 7.57   5.887% *  0.9114% (0.63  1.00   0.02   0.02) =   0.196%  kept
          HB2   SER   37 - HB3   PHE   72  12.67 +/- 2.39   4.045% *  1.2303% (0.85  1.00   0.02   0.02) =   0.182%  kept
          HB2   SER   82 - HB3   PHE   72  21.06 +/- 3.40   0.785% *  0.1699% (0.12  1.00   0.02   0.02) =   0.005%
    Distance limit 3.94 A violated in 4 structures by 1.12 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.87, residual support = 90.6:
      O T QD    PHE   72 - HB3   PHE   72   2.47 +/- 0.14  91.571% * 94.5275% (0.87  10.0 10.00   4.87  90.59) =  99.612%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   7.072% *  4.5980% (0.27   1.0  1.00   3.14  90.59) =   0.374%  kept
        T QE    PHE   45 - HB3   PHE   72  10.49 +/- 1.08   1.357% *  0.8745% (0.80   1.0 10.00   0.02   0.02) =   0.014%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.831, support = 4.58, residual support = 90.6:
      O T QD    PHE   72 - HB2   PHE   72   2.43 +/- 0.15  91.665% * 95.4935% (0.83  10.0 10.00   4.58  90.59) =  99.657%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.784% *  4.4182% (0.26   1.0  1.00   2.99  90.59) =   0.341%  kept
          QE    PHE   45 - HB2   PHE   72  10.08 +/- 1.45   1.551% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.99, residual support = 90.6:
      O   HN    PHE   72 - HB2   PHE   72   3.47 +/- 0.43  97.884% * 99.9402% (0.79  10.0   4.99  90.59) =  99.999%  kept
          HN    LEU  104 - HB2   PHE   72  13.12 +/- 1.13   2.116% *  0.0598% (0.47   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.761, support = 0.02, residual support = 1.41:
          HG3   GLN   30 - HA    LEU   73   9.95 +/- 4.70  18.752% * 13.3017% (0.99   0.02   2.63) =  28.420%  kept
          HB2   GLN   30 - HA    LEU   73   9.20 +/- 4.05  20.345% * 10.7462% (0.80   0.02   2.63) =  24.911%  kept
          HB2   GLN   17 - HA    LEU   73  13.00 +/- 7.69  10.491% *  6.5324% (0.49   0.02   0.02) =   7.808%  kept
          HB3   PRO   68 - HA    LEU   73  13.77 +/- 1.92   5.622% * 11.6413% (0.87   0.02   0.02) =   7.457%  kept
          HB    ILE  119 - HA    LEU   73  15.78 +/- 3.45   5.493% * 10.7462% (0.80   0.02   0.02) =   6.725%  kept
          HB2   PRO   93 - HA    LEU   73  12.69 +/- 3.80  15.614% *  2.9879% (0.22   0.02   0.02) =   5.315%  kept
          QB    GLU-  15 - HA    LEU   73  14.02 +/- 6.21   6.514% *  6.5324% (0.49   0.02   0.02) =   4.848%  kept
          HB    VAL  108 - HA    LEU   73  17.27 +/- 3.41   4.684% *  7.5980% (0.57   0.02   0.02) =   4.055%  kept
          HB3   GLU- 100 - HA    LEU   73  18.50 +/- 2.11   3.036% * 11.6413% (0.87   0.02   0.02) =   4.027%  kept
          HB2   ARG+  54 - HA    LEU   73  19.33 +/- 4.52   3.427% *  6.5324% (0.49   0.02   0.02) =   2.551%  kept
          HB2   LYS+ 111 - HA    LEU   73  19.83 +/- 4.42   2.639% *  7.5980% (0.57   0.02   0.02) =   2.284%  kept
          HB3   GLU-  25 - HA    LEU   73  15.60 +/- 4.59   3.385% *  4.1422% (0.31   0.02   0.02) =   1.598%  kept
    Distance limit 3.82 A violated in 16 structures by 2.42 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.71, residual support = 41.7:
      O   HN    LYS+  74 - HA    LEU   73   2.61 +/- 0.14  94.989% * 99.6525% (0.69  10.0   5.71  41.69) =  99.996%  kept
          HN    LYS+ 112 - HA    LEU   73  18.39 +/- 5.27   0.850% *  0.1448% (1.00   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LEU   73  11.23 +/- 3.16   2.881% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  22.05 +/- 4.97   0.656% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LEU   73  16.07 +/- 2.94   0.623% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.789, support = 6.38, residual support = 168.5:
      O   HN    LEU   73 - HA    LEU   73   2.88 +/- 0.05  52.676% * 95.1717% (0.80  10.0   6.47 172.23) =  97.795%  kept
          HN    ILE   19 - HA    LEU   73   8.29 +/- 8.65  40.382% *  2.4282% (0.18   1.0   2.33   4.66) =   1.913%  kept
          HN    VAL   42 - HA    LEU   73   7.45 +/- 2.08   6.472% *  2.3049% (0.80   1.0   0.48   1.02) =   0.291%  kept
          HN    LYS+ 106 - HA    LEU   73  16.60 +/- 2.95   0.470% *  0.0952% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.22, residual support = 171.6:
      O   HN    LEU   73 - HB2   LEU   73   3.43 +/- 0.31  86.172% * 97.3827% (0.38  10.0   6.24 172.23) =  99.641%  kept
          HN    VAL   42 - HB2   LEU   73   8.50 +/- 2.38  12.698% *  2.3584% (0.38   1.0   0.48   1.02) =   0.356%  kept
          HN    LYS+ 106 - HB2   LEU   73  16.87 +/- 3.56   1.129% *  0.2589% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.981, support = 0.02, residual support = 0.277:
        T HA    HIS   22 - HB2   LEU   73  10.31 +/- 4.74  39.914% * 84.8829% (1.00 10.00   0.02   0.02) =  88.940%  kept
          HA    VAL   43 - HB2   LEU   73   7.47 +/- 2.87  51.611% *  6.7969% (0.80  1.00   0.02   2.81) =   9.209%  kept
          HA    ASN   69 - HB2   LEU   73  14.01 +/- 1.17   8.476% *  8.3202% (0.98  1.00   0.02   0.02) =   1.851%  kept
    Distance limit 4.04 A violated in 16 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.258, support = 5.4, residual support = 41.0:
          HN    LYS+  74 - HB3   LEU   73   3.50 +/- 0.78  90.844% * 77.2043% (0.25   5.48  41.69) =  98.248%  kept
          HN    LYS+ 112 - HB3   LEU   73  18.33 +/- 5.93   5.686% * 21.6923% (0.76   0.50   0.02) =   1.728%  kept
          HN    ASP-  78 - HB3   LEU   73  12.57 +/- 1.09   2.862% *  0.4642% (0.41   0.02   0.02) =   0.019%
          HN    MET   11 - HB3   LEU   73  22.22 +/- 5.27   0.607% *  0.6392% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.733, support = 5.4, residual support = 159.0:
          HN    LEU   73 - HG    LEU   73   3.11 +/- 0.74  31.079% * 67.2717% (0.80   5.68 172.23) =  86.207%  kept
          HN    ILE   19 - HG12  ILE   19   3.35 +/- 0.70  27.008% *  5.3690% (0.06   6.35 173.62) =   5.979%  kept
          HN    VAL   42 - HG    LEU   73   8.05 +/- 2.69   7.127% * 13.8300% (0.80   1.17   1.02) =   4.064%  kept
          HN    VAL   42 - HG    LEU   40   5.68 +/- 1.28   8.393% *  5.1516% (0.15   2.33   1.69) =   1.783%  kept
          HN    ILE   19 - HG    LEU   73   9.66 +/- 7.25   5.563% *  6.2025% (0.18   2.39   4.66) =   1.423%  kept
          HN    LEU   73 - HG12  ILE   19   9.64 +/- 6.08   8.087% *  1.5718% (0.26   0.41   4.66) =   0.524%  kept
          HN    LEU   73 - HG    LEU   40   8.61 +/- 1.81   3.144% *  0.0442% (0.15   0.02   0.02) =   0.006%
          HN    VAL   42 - HG12  ILE   19  12.23 +/- 5.06   1.613% *  0.0774% (0.26   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HG    LEU   73  16.23 +/- 3.72   0.461% *  0.2369% (0.80   0.02   0.02) =   0.004%
          HN    LEU   73 - HG    LEU   80  15.14 +/- 4.68   0.745% *  0.0288% (0.10   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  15.75 +/- 5.25   0.683% *  0.0288% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  13.88 +/- 2.13   0.419% *  0.0442% (0.15   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   40  12.06 +/- 4.12   1.690% *  0.0097% (0.03   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU  115  13.72 +/- 4.68   1.621% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.39 +/- 2.60   0.134% *  0.0774% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.29 +/- 6.10   0.231% *  0.0288% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  19.51 +/-10.32   0.723% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.48 +/- 1.63   0.623% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  14.11 +/- 2.78   0.370% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.29 +/- 3.32   0.287% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.122, support = 1.14, residual support = 1.64:
          HN    LEU   71 - HG    LEU   40   3.85 +/- 1.15  55.767% * 20.2885% (0.05   1.39   1.96) =  70.354%  kept
          HN    LEU   71 - HG    LEU   73   9.61 +/- 1.24   4.090% * 58.9754% (0.28   0.75   1.65) =  14.997%  kept
          HN    LEU   71 - HG12  ILE   19  11.45 +/- 5.06  12.691% * 12.6833% (0.09   0.50   0.13) =  10.009%  kept
          HN    THR   26 - HG    LEU   73  11.12 +/- 5.59  13.543% *  4.7033% (0.84   0.02   0.02) =   3.961%  kept
          HN    THR   26 - HG12  ILE   19  10.09 +/- 1.79   4.771% *  1.5360% (0.27   0.02   0.02) =   0.456%  kept
          HN    THR   26 - HG    LEU   80  18.72 +/- 9.51   3.838% *  0.5723% (0.10   0.02   0.02) =   0.137%  kept
          HN    THR   26 - HG    LEU   40  16.58 +/- 2.27   1.145% *  0.8769% (0.16   0.02   0.02) =   0.062%
          HN    LEU   71 - HG    LEU   80  19.74 +/- 3.72   0.749% *  0.1905% (0.03   0.02   0.02) =   0.009%
          HN    THR   26 - HG    LEU  115  22.98 +/- 4.52   1.034% *  0.1304% (0.02   0.02   0.02) =   0.008%
          HN    LEU   71 - HG    LEU  115  15.25 +/- 3.78   2.374% *  0.0434% (0.01   0.02   0.02) =   0.006%
    Distance limit 4.04 A violated in 0 structures by 0.20 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.98, residual support = 170.0:
          HN    LEU   73 - QD2   LEU   73   1.95 +/- 0.38  79.576% * 93.4159% (0.38   8.08 172.23) =  98.671%  kept
          HN    VAL   42 - QD2   LEU   73   5.85 +/- 2.15  17.765% *  5.6017% (0.38   0.48   1.02) =   1.321%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  10.60 +/- 4.83   1.690% *  0.2097% (0.34   0.02   0.02) =   0.005%
          HN    LYS+ 106 - QD2   LEU   73  13.35 +/- 2.56   0.373% *  0.6149% (1.00   0.02   0.02) =   0.003%
          HN    VAL   42 - HG3   LYS+ 121  14.15 +/- 4.89   0.386% *  0.0789% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  15.77 +/- 3.71   0.210% *  0.0789% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.257, support = 5.88, residual support = 41.1:
          HN    LYS+  74 - QD2   LEU   73   3.85 +/- 0.45  85.198% * 80.8393% (0.25   5.96  41.69) =  98.537%  kept
          HN    LYS+ 112 - QD2   LEU   73  15.30 +/- 4.79   5.698% * 17.3602% (0.76   0.42   0.02) =   1.415%  kept
          HN    ASP-  78 - QD2   LEU   73  11.28 +/- 1.56   3.537% *  0.4469% (0.41   0.02   0.02) =   0.023%
          HN    MET   11 - QD2   LEU   73  18.52 +/- 3.70   1.548% *  0.6155% (0.57   0.02   0.02) =   0.014%
          HN    LYS+ 112 - HG3   LYS+ 121  16.31 +/- 1.19   1.261% *  0.2833% (0.26   0.02   0.02) =   0.005%
          HN    MET   11 - HG3   LYS+ 121  28.16 +/- 7.86   1.233% *  0.2099% (0.19   0.02   0.02) =   0.004%
          HN    LYS+  74 - HG3   LYS+ 121  18.42 +/- 3.14   1.129% *  0.0924% (0.09   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 121  23.64 +/- 1.68   0.396% *  0.1524% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.199, support = 5.79, residual support = 186.6:
      O   HN    LYS+  74 - HB2   LYS+  74   2.85 +/- 0.38  90.229% * 97.3251% (0.20  10.0   5.79 186.77) =  99.916%  kept
          HN    LYS+ 112 - HB2   LYS+  74  18.70 +/- 4.77   2.710% *  1.7383% (0.61   1.0   0.12   0.02) =   0.054%
          HN    ASP-  78 - HB2   LYS+  74  10.42 +/- 0.82   2.279% *  0.7157% (0.33   1.0   0.09   0.02) =   0.019%
          HN    MET   11 - HB2   LYS+  74  22.51 +/- 6.49   4.781% *  0.2210% (0.45   1.0   0.02   0.02) =   0.012%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.412, support = 4.45, residual support = 31.5:
          HN    VAL   75 - HB3   LYS+  74   4.51 +/- 0.17  73.623% * 94.0341% (0.41   4.48  31.73) =  99.388%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.57 +/- 1.09   6.255% *  3.9505% (0.87   0.09   0.02) =   0.355%  kept
          HN    LYS+ 112 - HB3   LYS+  74  18.66 +/- 4.72   8.624% *  1.8366% (0.31   0.12   0.02) =   0.227%  kept
          HN    MET   11 - HB3   LYS+  74  22.27 +/- 6.22  11.498% *  0.1788% (0.18   0.02   0.02) =   0.030%
    Distance limit 3.78 A violated in 0 structures by 0.71 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.89, residual support = 31.7:
          HN    VAL   75 - HG2   LYS+  74   3.56 +/- 0.57  84.879% * 98.1812% (0.84   5.90  31.73) =  99.883%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.27 +/- 1.24   5.375% *  1.7415% (0.98   0.09   0.02) =   0.112%  kept
          HN    ASP-  78 - HG3   LYS+ 111  19.24 +/- 4.33   6.021% *  0.0417% (0.10   0.02   0.02) =   0.003%
          HN    VAL   75 - HG3   LYS+ 111  18.35 +/- 3.49   3.725% *  0.0356% (0.09   0.02   0.02) =   0.002%
    Distance limit 4.01 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.732, residual support = 0.732:
          QG1   VAL   75 - HA    THR   77   3.94 +/- 0.42  96.235% * 97.9307% (0.84   0.73   0.73) =  99.917%  kept
          QD1   LEU  115 - HA    THR   77  13.18 +/- 2.36   3.765% *  2.0693% (0.65   0.02   0.02) =   0.083%
    Distance limit 3.59 A violated in 1 structures by 0.40 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.5:
      O   HN    ASP-  78 - HB3   ASP-  78   2.71 +/- 0.54  97.872% * 99.9053% (0.95  10.0   3.95  39.54) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.13 +/- 0.96   2.128% *  0.0947% (0.90   1.0   0.02   0.33) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.3, residual support = 39.5:
      O   HN    ASP-  78 - HB2   ASP-  78   2.79 +/- 0.52  97.523% * 99.9053% (0.95  10.0   5.30  39.54) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78   9.99 +/- 0.62   2.477% *  0.0947% (0.90   1.0   0.02   0.33) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 56.6:
      O T HB3   GLU-  79 - HA    GLU-  79   2.62 +/- 0.17  96.770% * 99.1581% (1.00  10.0 10.00   4.39  56.62) =  99.985%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.95 +/- 3.12   2.365% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.015%
          HB3   GLU-  29 - HA    GLU-  79  22.55 +/- 6.70   0.295% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  24.15 +/- 2.67   0.145% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  22.16 +/- 6.91   0.318% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  26.68 +/- 2.93   0.108% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 56.6:
      O   QG    GLU-  79 - HB3   GLU-  79   2.45 +/- 0.11  93.614% * 99.5936% (0.98  10.0   3.65  56.62) =  99.997%  kept
          QG    GLU-  79 - HB2   GLN   90  12.82 +/- 3.25   4.931% *  0.0370% (0.36   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HB3   GLU-  79  21.94 +/- 4.84   0.203% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  23.53 +/- 2.79   0.137% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.39 +/- 2.58   0.187% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.00 +/- 3.11   0.095% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.11 +/- 2.12   0.219% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  28.65 +/- 5.36   0.091% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.58 +/- 1.82   0.115% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  22.56 +/- 1.40   0.128% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.46 +/- 0.79   0.227% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  31.18 +/- 2.62   0.051% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.89, support = 3.23, residual support = 10.9:
          HB2   ASP-  76 - HB3   GLU-  79   3.43 +/- 1.27  61.699% * 34.1618% (1.00  1.00   1.94   2.58) =  53.843%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.09 +/- 0.70  28.173% * 64.0736% (0.76  1.00   4.75  20.70) =  46.112%  kept
        T HB2   ASN   28 - HB3   GLU-  79  19.26 +/- 6.66   1.207% *  0.6188% (0.18 10.00   0.02   0.02) =   0.019%
          HB2   ASP-  78 - HB2   GLN   90  11.13 +/- 2.50   3.398% *  0.1003% (0.28  1.00   0.02   0.02) =   0.009%
          HB2   ASP-  76 - HB2   GLN   90  13.88 +/- 2.82   1.788% *  0.1310% (0.37  1.00   0.02   0.02) =   0.006%
        T HB2   ASN   28 - HB2   GLN   90  27.04 +/- 7.36   0.537% *  0.2299% (0.07 10.00   0.02   0.02) =   0.003%
          QE    LYS+  66 - HB3   GLU-  79  19.43 +/- 3.88   1.549% *  0.0699% (0.20  1.00   0.02   0.02) =   0.003%
          HB2   ASN   69 - HB3   GLU-  79  22.12 +/- 3.70   0.258% *  0.3410% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - HB2   GLN   90  29.16 +/- 4.20   0.361% *  0.1267% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HB3   GLU-  79  21.71 +/- 5.02   0.467% *  0.0881% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  25.22 +/- 3.59   0.349% *  0.0260% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  28.71 +/- 4.62   0.214% *  0.0327% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.39, residual support = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.62 +/- 0.17  70.598% * 97.6445% (0.80  10.0 10.00   4.39  56.62) =  99.920%  kept
          HB    THR   77 - HB3   GLU-  79   7.51 +/- 0.82   3.413% *  1.2656% (0.31   1.0  1.00   0.67   0.02) =   0.063%
        T HA    GLU-  79 - HB2   GLN   90  12.95 +/- 3.12   1.762% *  0.3628% (0.30   1.0 10.00   0.02   0.02) =   0.009%
          HA    SER   85 - HB2   GLN   90   7.63 +/- 1.60  15.353% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.003%
          HA1   GLY   51 - HB2   GLN   90  14.73 +/- 4.58   1.901% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  17.40 +/- 4.27   0.438% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLN   90   9.56 +/- 2.72   2.946% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  17.94 +/- 3.37   0.288% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.95 +/- 1.80   0.845% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.56 +/- 2.14   0.796% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.48 +/- 2.76   0.149% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.43 +/- 4.19   0.341% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.47 +/- 3.16   0.162% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.46 +/- 7.92   0.197% *  0.0271% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.02 +/- 1.96   0.446% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  25.47 +/- 1.84   0.082% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.91 +/- 2.68   0.055% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  24.00 +/- 2.64   0.104% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  26.09 +/- 1.23   0.076% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  35.89 +/- 7.30   0.048% *  0.0101% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.94, residual support = 93.6:
      O T HA    GLN   90 - HB2   GLN   90   2.56 +/- 0.19  76.287% * 87.0304% (0.27  10.0 10.00   3.96  94.81) =  98.171%  kept
          HA    ALA   91 - HB2   GLN   90   5.08 +/- 0.43  11.043% *  9.4587% (0.18   1.0  1.00   3.24  31.98) =   1.545%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.15 +/- 2.85   7.952% *  2.3423% (0.73   1.0 10.00   0.02   0.02) =   0.275%  kept
          HA    ALA   91 - HB3   GLU-  79  12.46 +/- 3.92   1.862% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - HB3   GLU-  79  16.41 +/- 6.79   1.081% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB3   GLU-  79  19.55 +/- 3.10   0.222% *  0.2694% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  20.64 +/- 2.61   0.256% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   GLN   90  15.28 +/- 2.00   0.394% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  20.76 +/- 2.35   0.166% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  18.61 +/- 2.97   0.291% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.86 +/- 0.95   0.201% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  24.58 +/- 6.08   0.245% *  0.0333% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 3.18, residual support = 11.5:
          HB2   ASP-  76 - HB2   GLU-  79   3.79 +/- 1.22  64.619% * 33.4500% (1.00   1.79   2.58) =  50.751%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.27 +/- 0.69  31.796% * 65.9550% (0.76   4.61  20.70) =  49.239%  kept
          HB2   ASN   69 - HB2   GLU-  79  22.05 +/- 3.47   0.495% *  0.3617% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  66 - HB2   GLU-  79  19.69 +/- 3.55   1.603% *  0.0742% (0.20   0.02   0.02) =   0.003%
          HB2   ASN   28 - HB2   GLU-  79  19.41 +/- 6.95   1.038% *  0.0656% (0.18   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB2   GLU-  79  21.75 +/- 5.23   0.450% *  0.0935% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.78, residual support = 49.3:
          HN    LEU   80 - HB2   GLU-  79   2.83 +/- 0.47  95.115% * 98.6184% (0.61   5.78  49.34) =  99.985%  kept
          HN    SER   85 - HB2   GLU-  79  10.04 +/- 1.62   3.233% *  0.2738% (0.49   0.02   0.02) =   0.009%
          HN    GLN   32 - HB2   GLU-  79  21.34 +/- 5.83   0.459% *  0.4880% (0.87   0.02   0.02) =   0.002%
          HN    CYS   53 - HB2   GLU-  79  16.72 +/- 3.25   0.818% *  0.2112% (0.38   0.02   0.02) =   0.002%
          HN    ALA   34 - HB2   GLU-  79  21.75 +/- 4.69   0.374% *  0.4085% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.92, residual support = 49.3:
          HN    LEU   80 - HB3   GLU-  79   3.37 +/- 0.74  77.364% * 98.0378% (0.61   5.92  49.34) =  99.955%  kept
          HN    SER   85 - HB2   GLN   90   8.59 +/- 1.42  11.517% *  0.0988% (0.18   0.02   0.02) =   0.015%
          HN    SER   85 - HB3   GLU-  79  10.63 +/- 1.39   3.757% *  0.2658% (0.49   0.02   0.02) =   0.013%
          HN    LEU   80 - HB2   GLN   90  11.81 +/- 1.97   2.923% *  0.1231% (0.23   0.02   0.02) =   0.005%
          HN    GLN   32 - HB3   GLU-  79  21.31 +/- 5.44   0.576% *  0.4737% (0.87   0.02   0.02) =   0.004%
          HN    CYS   53 - HB3   GLU-  79  16.63 +/- 3.45   1.063% *  0.2049% (0.38   0.02   0.02) =   0.003%
          HN    ALA   34 - HB3   GLU-  79  21.76 +/- 4.33   0.485% *  0.3965% (0.73   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLN   90  14.24 +/- 3.52   1.844% *  0.0761% (0.14   0.02   0.02) =   0.002%
          HN    GLN   32 - HB2   GLN   90  28.98 +/- 5.86   0.263% *  0.1760% (0.32   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   GLN   90  29.39 +/- 4.59   0.208% *  0.1473% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.27 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   3.43 +/- 0.68  86.671% * 98.6230% (0.23  10.0   5.59  94.81) =  99.968%  kept
          HN    GLN   90 - HB3   GLU-  79  12.47 +/- 2.91   6.657% *  0.2654% (0.61   1.0   0.02   0.02) =   0.021%
          HN    GLY  109 - HB3   GLU-  79  18.66 +/- 2.91   0.819% *  0.3925% (0.90   1.0   0.02   0.02) =   0.004%
          HN    GLY  109 - HB2   GLN   90  14.17 +/- 1.88   1.743% *  0.1458% (0.33   1.0   0.02   0.02) =   0.003%
          HE1   HIS   22 - HB3   GLU-  79  17.16 +/- 7.95   2.991% *  0.0675% (0.15   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB3   GLU-  79  22.44 +/- 3.49   0.439% *  0.3504% (0.80   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB2   GLN   90  24.72 +/- 3.00   0.343% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  25.45 +/- 5.37   0.337% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 49.3:
          HN    LEU   80 - QG    GLU-  79   3.73 +/- 0.52  84.439% * 98.4833% (0.61   5.26  49.34) =  99.939%  kept
          HN    SER   85 - QG    GLU-  79   9.73 +/- 1.65  11.547% *  0.3006% (0.49   0.02   0.02) =   0.042%
          HN    GLN   32 - QG    GLU-  79  19.22 +/- 5.36   1.451% *  0.5358% (0.87   0.02   0.02) =   0.009%
          HN    ALA   34 - QG    GLU-  79  19.73 +/- 4.34   1.125% *  0.4485% (0.73   0.02   0.02) =   0.006%
          HN    CYS   53 - QG    GLU-  79  15.93 +/- 2.80   1.439% *  0.2318% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.72 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.62, residual support = 49.3:
      O   HN    LEU   80 - HA    GLU-  79   3.51 +/- 0.25  94.456% * 99.2120% (0.28  10.0   5.62  49.34) =  99.983%  kept
          HN    SER   85 - HA    GLU-  79  10.10 +/- 0.88   4.547% *  0.2980% (0.84   1.0   0.02   0.02) =   0.014%
          HN    GLN   32 - HA    GLU-  79  22.13 +/- 5.35   0.555% *  0.3560% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    GLU-  79  22.77 +/- 4.07   0.442% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 0.674, support = 4.57, residual support = 86.0:
      O   HB2   LEU   80 - QD2   LEU   80   2.46 +/- 0.29  37.694% * 71.2691% (0.87  10.0  1.00   4.34  86.01) =  63.295%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.02  55.569% * 28.0259% (0.34  10.0  1.00   4.98  86.01) =  36.693%  kept
        T HB3   LEU   73 - QD2   LEU   80  11.36 +/- 4.06   1.345% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  74 - QD2   LEU   80  10.58 +/- 2.75   0.794% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - QD2   LEU   80  15.80 +/- 8.19   1.506% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD2   LEU   80  13.89 +/- 4.82   0.587% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   80  19.22 +/- 6.41   0.274% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  16.21 +/- 4.01   0.533% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.89 +/- 2.68   0.540% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  13.92 +/- 3.56   0.339% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  18.61 +/- 6.96   0.266% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.69 +/- 2.58   0.221% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.52 +/- 4.40   0.083% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  20.44 +/- 6.17   0.129% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.21 +/- 3.29   0.119% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.869, support = 6.0, residual support = 82.1:
          HA    LEU   80 - QD2   LEU   80   2.30 +/- 0.44  81.798% * 61.0218% (0.87   6.22  86.01) =  95.331%  kept
          HA    THR   23 - QD2   LEU   80  13.18 +/- 8.08   8.887% * 16.5499% (0.99   1.48   0.25) =   2.809%  kept
          HA    ASP-  78 - QD2   LEU   80   6.86 +/- 0.95   5.797% * 10.2019% (0.80   1.13   7.12) =   1.130%  kept
          HB    THR   23 - QD2   LEU   80  14.61 +/- 8.12   3.153% * 12.1250% (0.73   1.48   0.25) =   0.730%  kept
          HA    ASP- 105 - QD2   LEU   80  19.13 +/- 4.81   0.366% *  0.1014% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.81 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.518, support = 4.79, residual support = 29.8:
          HN    LYS+  81 - QD2   LEU   80   4.03 +/- 0.63  54.700% * 47.5145% (0.38   6.00  41.33) =  69.672%  kept
          HE3   TRP   27 - QD2   LEU   80  12.54 +/- 7.56  22.577% * 42.7161% (0.92   2.19   3.83) =  25.853%  kept
          HN    THR   23 - QD2   LEU   80  13.04 +/- 8.08  18.136% *  9.1570% (0.41   1.06   0.25) =   4.452%  kept
          QE    PHE   95 - QD2   LEU   80  13.04 +/- 2.34   2.230% *  0.1892% (0.45   0.02   0.02) =   0.011%
          QD    PHE   55 - QD2   LEU   80  16.56 +/- 2.27   1.005% *  0.3660% (0.87   0.02   0.02) =   0.010%
          HN    LEU   67 - QD2   LEU   80  16.21 +/- 2.71   1.352% *  0.0571% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 1.73, residual support = 3.74:
          HN    VAL   24 - QD2   LEU   80  12.44 +/- 8.25  54.130% * 99.1783% (0.31   1.74   3.77) =  99.303%  kept
          HN    VAL   43 - QD2   LEU   80  12.02 +/- 4.48  45.870% *  0.8217% (0.22   0.02   0.02) =   0.697%  kept
    Distance limit 3.59 A violated in 13 structures by 5.75 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.274, support = 4.74, residual support = 37.4:
          HN    LYS+  81 - QD1   LEU   80   3.51 +/- 1.11  51.903% * 73.9634% (0.24   5.23  41.33) =  89.718%  kept
          HE3   TRP   27 - QD1   LEU   80  13.75 +/- 7.78  22.000% * 17.0522% (0.60   0.49   3.83) =   8.767%  kept
          HN    THR   23 - QD1   LEU   80  14.30 +/- 8.30   9.133% *  6.5257% (0.27   0.42   0.25) =   1.393%  kept
          HE3   TRP   27 - QD2   LEU   98   9.75 +/- 2.89   7.706% *  0.3987% (0.34   0.02   0.02) =   0.072%
          QE    PHE   95 - QD1   LEU   80  13.20 +/- 2.66   1.796% *  0.3378% (0.29   0.02   0.02) =   0.014%
          QD    PHE   55 - QD1   LEU   80  16.52 +/- 2.53   0.693% *  0.6537% (0.56   0.02   0.02) =   0.011%
          QE    PHE   95 - QD2   LEU   98  11.46 +/- 1.29   1.915% *  0.1937% (0.17   0.02   0.02) =   0.009%
          HN    THR   23 - QD2   LEU   98  14.96 +/- 2.88   1.148% *  0.1776% (0.15   0.02   0.02) =   0.005%
          QD    PHE   55 - QD2   LEU   98  17.75 +/- 1.64   0.505% *  0.3747% (0.32   0.02   0.02) =   0.004%
          HN    LYS+  81 - QD2   LEU   98  17.23 +/- 4.16   0.921% *  0.1621% (0.14   0.02   0.02) =   0.003%
          HN    LEU   67 - QD1   LEU   80  17.20 +/- 3.46   0.935% *  0.1020% (0.09   0.02   0.02) =   0.002%
          HN    LEU   67 - QD2   LEU   98  13.41 +/- 2.14   1.346% *  0.0585% (0.05   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.82, residual support = 111.1:
          HN    LYS+  81 - QG    LYS+  81   2.64 +/- 0.43  87.634% * 96.9668% (0.87   5.82 111.15) =  99.970%  kept
          HE3   TRP   27 - QG    LYS+  81  17.54 +/- 6.09   0.799% *  2.0031% (0.45   0.23   0.02) =   0.019%
          QD    PHE   60 - QG    LYS+  81  14.72 +/- 3.60   1.312% *  0.2022% (0.53   0.02   0.02) =   0.003%
          HE3   TRP   27 - HG2   LYS+  33   8.72 +/- 0.99   3.133% *  0.0825% (0.21   0.02   0.02) =   0.003%
          QD    PHE   55 - QG    LYS+  81  16.85 +/- 3.53   1.033% *  0.1442% (0.38   0.02   0.02) =   0.002%
          QD    PHE   60 - HG2   LYS+ 106  13.37 +/- 2.24   1.720% *  0.0445% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  66 - QG    LYS+  81  20.09 +/- 4.71   0.955% *  0.0520% (0.14   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+  33  17.04 +/- 3.06   0.453% *  0.0968% (0.25   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  25.35 +/- 6.88   0.237% *  0.1596% (0.42   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.26 +/- 3.50   0.876% *  0.0379% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.55 +/- 4.05   0.432% *  0.0733% (0.19   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.28 +/- 2.51   0.549% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.02 +/- 3.72   0.429% *  0.0249% (0.06   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.95 +/- 2.22   0.107% *  0.0690% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  19.73 +/- 3.12   0.332% *  0.0114% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.643, support = 0.628, residual support = 1.23:
          HN    GLU-  79 - QG    LYS+  81   6.20 +/- 1.23  51.242% * 92.8577% (0.65   0.63   1.24) =  99.237%  kept
          HN    VAL   70 - HG2   LYS+  33  13.29 +/- 4.11  18.014% *  0.8931% (0.20   0.02   0.02) =   0.336%  kept
          HN    THR   94 - QG    LYS+  81  12.82 +/- 2.01   6.968% *  1.1314% (0.25   0.02   0.02) =   0.164%  kept
          HN    VAL   70 - QG    LYS+  81  21.09 +/- 3.37   1.696% *  1.8654% (0.41   0.02   0.02) =   0.066%
          HN    THR   94 - HG2   LYS+ 106  11.06 +/- 1.14  12.218% *  0.2489% (0.05   0.02   0.02) =   0.063%
          HN    GLU-  79 - HG2   LYS+  33  22.87 +/- 4.73   1.629% *  1.4054% (0.31   0.02   0.02) =   0.048%
          HN    VAL   70 - HG2   LYS+ 106  17.02 +/- 2.53   4.100% *  0.4104% (0.09   0.02   0.02) =   0.035%
          HN    GLU-  79 - HG2   LYS+ 106  19.81 +/- 2.64   2.092% *  0.6459% (0.14   0.02   0.02) =   0.028%
          HN    THR   94 - HG2   LYS+  33  21.31 +/- 3.05   2.040% *  0.5417% (0.12   0.02   0.02) =   0.023%
    Distance limit 3.92 A violated in 9 structures by 2.01 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.79, residual support = 111.1:
      O   HN    LYS+  81 - QB    LYS+  81   2.26 +/- 0.19  85.050% * 99.1682% (0.38  10.0   5.79 111.15) =  99.991%  kept
          QD    PHE   55 - HB3   PRO   52   5.12 +/- 0.90   9.480% *  0.0263% (0.10   1.0   0.02   0.41) =   0.003%
          QD    PHE   55 - QB    LYS+  81  17.26 +/- 3.78   1.063% *  0.2292% (0.87   1.0   0.02   0.02) =   0.003%
          HE3   TRP   27 - QB    LYS+  81  17.83 +/- 6.30   0.387% *  0.2439% (0.92   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  14.97 +/- 2.40   0.736% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  17.22 +/- 7.98   0.652% *  0.1086% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   PRO   52  10.17 +/- 1.68   1.532% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  20.71 +/- 4.30   0.535% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.89 +/- 3.65   0.227% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  23.63 +/- 3.00   0.087% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  24.69 +/- 4.68   0.101% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.49 +/- 2.14   0.150% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.4, residual support = 111.1:
      O   HN    LYS+  81 - HA    LYS+  81   2.77 +/- 0.06  93.332% * 99.8291% (0.87  10.0   5.40 111.15) =  99.997%  kept
          QD    PHE   60 - HA    LYS+  81  15.54 +/- 3.81   3.546% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HE3   TRP   27 - HA    LYS+  81  18.96 +/- 6.45   0.725% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  18.04 +/- 3.54   0.848% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  21.98 +/- 4.89   1.549% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.591, support = 3.73, residual support = 26.7:
          HA    LEU   80 - QG    LYS+  81   4.47 +/- 0.64  42.515% * 59.2909% (0.38   5.10  41.33) =  64.221%  kept
          HA    ASP-  78 - QG    LYS+  81   5.39 +/- 2.20  35.997% * 38.8914% (0.98   1.28   0.44) =  35.667%  kept
          HA    THR   23 - QG    LYS+  81  16.70 +/- 8.23   5.606% *  0.4739% (0.76   0.02   0.02) =   0.068%
          HB    THR   23 - QG    LYS+  81  18.13 +/- 8.42   5.009% *  0.1546% (0.25   0.02   0.02) =   0.020%
          HA    PHE   45 - QG    LYS+  81  11.10 +/- 2.09   2.647% *  0.0957% (0.15   0.02   0.02) =   0.006%
          HA    THR   23 - HG2   LYS+  33  14.87 +/- 1.32   0.939% *  0.2269% (0.37   0.02   0.02) =   0.005%
          HA    THR   23 - HG2   LYS+ 106  22.11 +/- 5.23   1.165% *  0.1043% (0.17   0.02   0.02) =   0.003%
          HB    THR   23 - HG2   LYS+  33  14.40 +/- 1.57   0.978% *  0.0740% (0.12   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+  33  25.49 +/- 4.32   0.212% *  0.2910% (0.47   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+  33  23.79 +/- 7.16   0.490% *  0.1114% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  78 - HG2   LYS+ 106  20.50 +/- 2.77   0.372% *  0.1337% (0.22   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+ 106  13.00 +/- 1.94   2.317% *  0.0211% (0.03   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  23.06 +/- 4.95   0.932% *  0.0340% (0.05   0.02   0.02) =   0.001%
          HA    LEU   80 - HG2   LYS+ 106  20.75 +/- 4.68   0.403% *  0.0512% (0.08   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  20.51 +/- 3.47   0.418% *  0.0458% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.05 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 = 3.69, residual support = 34.7:
      O   HN    SER   82 - HB3   SER   82   2.59 +/- 0.44  99.247% * 99.5254% (0.41  10.0   3.69  34.71) =  99.998%  kept
          HN    GLY   16 - HB3   SER   82  27.39 +/-10.48   0.625% *  0.2373% (0.98   1.0   0.02   0.02) =   0.002%
          HN    SER  117 - HB3   SER   82  26.38 +/- 3.51   0.128% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.378, support = 3.29, residual support = 14.6:
      O   HN    TRP   49 - HA    SER   48   3.52 +/- 0.08  36.210% * 84.5727% (0.40  10.0   3.25  14.47) =  86.198%  kept
          HN    VAL   83 - HB2   SER   82   3.50 +/- 0.44  38.422% * 10.2801% (0.24   1.0   4.09  19.09) =  11.118%  kept
          HN    CYS   50 - HA    SER   48   4.80 +/- 1.07  20.789% *  4.5778% (0.36   1.0   1.20   0.02) =   2.679%  kept
          HN    TRP   49 - HB2   SER   82  18.30 +/- 2.56   0.321% *  0.1540% (0.72   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    VAL   70  11.40 +/- 2.54   1.958% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    CYS   50 - HB2   SER   82  19.53 +/- 3.29   0.286% *  0.1384% (0.65   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  21.95 +/- 7.66   0.384% *  0.0687% (0.32   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  15.03 +/- 3.04   0.855% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   70  21.53 +/- 3.63   0.199% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  22.29 +/- 4.99   0.231% *  0.0377% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  21.53 +/- 2.62   0.171% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.96 +/- 2.63   0.175% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.3, residual support = 34.7:
      O   HN    SER   82 - HB2   SER   82   2.73 +/- 0.53  90.974% * 99.0159% (0.39  10.0   4.30  34.71) =  99.989%  kept
          HN    GLY   16 - HA    VAL   70  12.39 +/- 6.72   4.637% *  0.0820% (0.32   1.0   0.02   0.02) =   0.004%
          HN    GLY   16 - HB2   SER   82  27.91 +/-10.62   1.508% *  0.2361% (0.93   1.0   0.02   0.02) =   0.004%
          HN    SER   82 - HA    SER   48  15.50 +/- 3.46   1.352% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    VAL   70  16.57 +/- 3.13   0.678% *  0.0820% (0.32   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  20.94 +/- 2.65   0.368% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB2   SER   82  27.18 +/- 3.49   0.122% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  26.66 +/- 6.12   0.180% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  23.22 +/- 2.63   0.181% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.33, residual support = 39.3:
          HN    ALA   84 - HB    VAL   83   3.10 +/- 0.21  98.134% * 98.8122% (0.44   5.33  39.31) =  99.993%  kept
          HE21  GLN   32 - HB    VAL   83  26.09 +/- 7.63   0.452% *  0.6834% (0.80   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB    VAL   83  18.90 +/- 3.46   0.764% *  0.3709% (0.44   0.02   0.02) =   0.003%
          HN    ILE   56 - HB    VAL   83  18.60 +/- 3.11   0.649% *  0.1335% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.76, residual support = 84.8:
      O   HN    VAL   83 - HB    VAL   83   2.21 +/- 0.24  99.209% * 99.8243% (0.65  10.0   4.76  84.83) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  16.07 +/- 2.67   0.374% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  15.01 +/- 2.14   0.417% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.869, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   8.52 +/- 1.16  51.481% * 31.7530% (0.96   0.02   0.02) =  62.898%  kept
          HD21  ASN   28 - HA    ALA   84  20.05 +/- 7.61  16.958% * 30.7120% (0.93   0.02   0.02) =  20.040%  kept
          QE    PHE   60 - HA    ALA   84  14.60 +/- 3.57  18.669% * 16.7431% (0.51   0.02   0.02) =  12.027%  kept
          HN    ILE   56 - HA    ALA   84  17.27 +/- 3.14   7.467% *  8.8482% (0.27   0.02   0.02) =   2.542%  kept
          HN    LEU   63 - HA    ALA   84  20.08 +/- 3.72   5.425% * 11.9438% (0.36   0.02   0.02) =   2.493%  kept
    Distance limit 3.60 A violated in 20 structures by 4.45 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.796, support = 0.02, residual support = 0.02:
          QE    PHE   45 - HA    ALA   84   7.33 +/- 2.67  74.341% * 37.7702% (0.81   0.02   0.02) =  78.272%  kept
          QD    PHE   72 - HA    ALA   84  15.99 +/- 2.12  12.075% * 43.6396% (0.93   0.02   0.02) =  14.689%  kept
          HZ    PHE   72 - HA    ALA   84  17.99 +/- 2.89  13.583% * 18.5902% (0.40   0.02   0.02) =   7.039%  kept
    Distance limit 4.18 A violated in 17 structures by 3.09 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.5, residual support = 14.4:
          HB    ILE   89 - HA    ALA   84   3.77 +/- 1.22  94.405% * 98.5902% (0.91   1.50  14.42) =  99.962%  kept
          QG1   ILE   56 - HA    ALA   84  15.49 +/- 2.56   5.031% *  0.6230% (0.43   0.02   0.02) =   0.034%
          HB3   LYS+  99 - HA    ALA   84  24.41 +/- 3.23   0.563% *  0.7867% (0.55   0.02   0.02) =   0.005%
    Distance limit 3.94 A violated in 2 structures by 0.38 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.79, support = 3.33, residual support = 25.4:
          QD1   ILE   89 - HA    ALA   84   3.73 +/- 1.32  48.087% * 57.1517% (0.89   3.33  14.42) =  55.800%  kept
          QG2   VAL   83 - HA    ALA   84   3.68 +/- 0.67  50.914% * 42.7555% (0.66   3.34  39.31) =  44.198%  kept
          QD2   LEU   31 - HA    ALA   84  17.62 +/- 4.97   0.999% *  0.0928% (0.24   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.96, residual support = 14.4:
          HG13  ILE   89 - HA    ALA   84   4.09 +/- 1.63 100.000% *100.0000% (0.55   2.96  14.42) = 100.000%  kept
    Distance limit 3.94 A violated in 6 structures by 0.82 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.797, support = 4.03, residual support = 24.6:
          QD1   ILE   89 - QB    ALA   84   4.22 +/- 1.46  48.047% * 59.3076% (0.89  1.00   4.19  14.42) =  58.989%  kept
          QG2   VAL   83 - QB    ALA   84   4.23 +/- 0.60  49.571% * 39.9282% (0.66  1.00   3.79  39.31) =  40.974%  kept
        T QD2   LEU   31 - QB    ALA   84  15.14 +/- 4.25   2.382% *  0.7642% (0.24 10.00   0.02   0.02) =   0.038%
    Distance limit 3.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.66, residual support = 14.4:
          HG13  ILE   89 - QB    ALA   84   4.46 +/- 1.45 100.000% *100.0000% (0.55   3.66  14.42) = 100.000%  kept
    Distance limit 3.87 A violated in 6 structures by 0.92 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.851, support = 0.02, residual support = 0.02:
          QD    PHE   45 - QB    ALA   84   6.63 +/- 1.71  90.075% * 73.1356% (0.87   0.02   0.02) =  97.998%  kept
          HD2   HIS  122 - QB    ALA   84  20.31 +/- 2.90   5.726% * 14.2817% (0.17   0.02   0.02) =   1.216%  kept
          HE22  GLN  116 - QB    ALA   84  21.37 +/- 2.72   4.199% * 12.5826% (0.15   0.02   0.02) =   0.786%  kept
    Distance limit 4.10 A violated in 15 structures by 2.56 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.686, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  10.77 +/- 2.54  61.528% * 28.9138% (0.59   0.02   0.02) =  55.423%  kept
          HE22  GLN   30 - QB    ALA   84  18.76 +/- 4.23  22.267% * 46.0056% (0.93   0.02   0.02) =  31.915%  kept
          HD22  ASN   69 - QB    ALA   84  22.40 +/- 3.51  16.205% * 25.0806% (0.51   0.02   0.02) =  12.662%  kept
    Distance limit 4.32 A violated in 20 structures by 5.94 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.0:
      O   HN    SER   85 - QB    SER   85   2.20 +/- 0.12  96.219% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  13.43 +/- 3.45   0.967% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  24.38 +/- 6.94   0.164% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.56 +/- 1.54   0.474% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.54 +/- 1.49   0.814% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.25 +/- 4.99   0.139% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  20.78 +/- 3.79   0.177% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  25.05 +/- 5.38   0.105% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.71 +/- 1.09   0.533% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  23.12 +/- 2.53   0.092% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.24 +/- 4.24   0.126% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  19.96 +/- 3.40   0.190% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   3.10 +/- 0.23  88.053% * 97.6159% (0.87   3.33  13.43) =  99.983%  kept
          HN    GLU-  29 - QB    SER   85  23.18 +/- 7.66   0.583% *  0.6629% (0.98   0.02   0.02) =   0.004%
          HN    ASP-  86 - QB    SER   48  14.40 +/- 3.20   1.923% *  0.1431% (0.21   0.02   0.02) =   0.003%
          HN    GLN   30 - QB    SER   85  23.04 +/- 6.82   0.480% *  0.5416% (0.80   0.02   0.02) =   0.003%
          HN    GLU-  29 - QB    SER   48  22.07 +/- 5.78   0.842% *  0.1616% (0.24   0.02   0.02) =   0.002%
          HN    GLN   30 - QB    SER   48  21.50 +/- 5.22   0.557% *  0.1321% (0.20   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    SER  117  21.56 +/- 4.70   0.540% *  0.1023% (0.15   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER  117  20.40 +/- 4.09   0.539% *  0.0836% (0.12   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    SER  117  10.15 +/- 0.87   2.757% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.67 +/- 6.99   0.229% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  24.27 +/- 4.95   0.313% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  25.65 +/- 7.74   0.278% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  22.88 +/- 2.67   0.251% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  20.02 +/- 4.29   1.008% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  21.41 +/- 6.72   0.495% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  18.89 +/- 3.47   0.645% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  26.01 +/- 5.17   0.223% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  23.61 +/- 3.58   0.284% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.4:
      O   HN    SER  117 - QB    SER  117   2.19 +/- 0.17  99.295% * 98.5738% (0.12  10.0   2.79  15.43) =  99.998%  kept
          HN    GLY   16 - QB    SER   85  27.53 +/- 8.58   0.159% *  0.4517% (0.57   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   85  24.04 +/- 2.79   0.092% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   48  19.96 +/- 2.62   0.198% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  24.64 +/- 5.76   0.108% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.64 +/- 2.38   0.149% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.0:
      O   HN    SER   85 - HA    SER   85   2.82 +/- 0.03  98.700% * 99.8725% (0.99  10.0   3.65  18.03) = 100.000%  kept
          HN    THR   94 - HA    SER   85  13.87 +/- 1.49   0.933% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  27.53 +/- 6.82   0.215% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  28.15 +/- 5.23   0.151% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   2.75 +/- 0.51  97.268% * 99.6620% (0.95  10.0   3.55  42.45) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  23.35 +/- 7.57   0.662% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   ASP-  86  29.87 +/- 7.99   0.596% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  23.78 +/- 8.33   0.665% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  21.74 +/- 5.37   0.541% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  24.54 +/- 5.45   0.268% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.01, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.52 +/- 0.42  98.247% * 99.2641% (0.49  10.0   5.01  42.45) =  99.998%  kept
          HN    LYS+  99 - HB2   ASP-  86  21.36 +/- 5.18   0.333% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  22.91 +/- 7.09   0.515% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  24.03 +/- 5.34   0.215% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  29.47 +/- 7.56   0.153% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  23.36 +/- 7.82   0.537% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.416, support = 3.62, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   2.94 +/- 0.48  85.290% * 36.7102% (0.38   3.60  22.70) =  82.291%  kept
          HE3   TRP   87 - HB2   ASP-  86   6.33 +/- 0.94  10.918% * 61.5407% (0.61   3.73  22.70) =  17.659%  kept
          HN    ALA   91 - HB2   ASP-  86  10.70 +/- 1.00   2.340% *  0.5140% (0.95   0.02   0.02) =   0.032%
          HN    TRP   27 - HB2   ASP-  86  21.38 +/- 7.34   0.627% *  0.5244% (0.97   0.02   0.02) =   0.009%
          HN    ALA   61 - HB2   ASP-  86  20.72 +/- 3.76   0.649% *  0.4873% (0.90   0.02   0.02) =   0.008%
          HN    THR   39 - HB2   ASP-  86  25.02 +/- 4.19   0.177% *  0.2234% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.51 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   2.45 +/- 0.63  90.913% * 95.5150% (0.22 10.00   2.25  10.79) =  99.754%  kept
          HB3   SER   82 - HB2   ASP-  86   6.22 +/- 1.10   7.120% *  2.9447% (0.41  1.00   0.33   0.02) =   0.241%  kept
          HA    GLN   30 - HB2   ASP-  86  24.24 +/- 6.38   0.329% *  0.4140% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   ASP-  86  19.06 +/- 2.87   0.352% *  0.3848% (0.90  1.00   0.02   0.02) =   0.002%
          HD3   PRO   52 - HB2   ASP-  86  20.05 +/- 3.30   0.272% *  0.3960% (0.92  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HB2   ASP-  86  22.66 +/- 4.78   0.372% *  0.1193% (0.28  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - HB2   ASP-  86  24.23 +/- 5.55   0.211% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  24.37 +/- 4.26   0.267% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  27.40 +/- 6.50   0.163% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.16, residual support = 42.5:
      O   HN    ASP-  86 - HA    ASP-  86   2.73 +/- 0.03  98.481% * 99.2641% (0.49  10.0   4.16  42.45) =  99.998%  kept
          HN    GLU-  14 - HA    ASP-  86  31.52 +/- 8.00   0.269% *  0.2039% (1.00   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    ASP-  86  23.01 +/- 5.06   0.290% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  24.90 +/- 7.49   0.372% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  26.18 +/- 5.48   0.165% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  25.21 +/- 8.39   0.423% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.52, residual support = 74.4:
          HE3   TRP   87 - HA    TRP   87   3.52 +/- 0.17  92.585% * 98.5663% (0.99   3.52  74.38) =  99.964%  kept
          HN    ALA   91 - HA    TRP   87   9.45 +/- 1.04   5.386% *  0.4898% (0.87   0.02   0.02) =   0.029%
          HN    ALA   61 - HA    TRP   87  21.40 +/- 3.65   0.834% *  0.5212% (0.92   0.02   0.02) =   0.005%
          HN    TRP   27 - HA    TRP   87  23.72 +/- 6.18   0.622% *  0.2971% (0.53   0.02   0.02) =   0.002%
          HN    GLN   17 - HA    TRP   87  29.14 +/- 7.83   0.574% *  0.1257% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.21, residual support = 74.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.39 +/- 0.04  96.483% * 99.7445% (0.99  10.0   3.21  74.38) =  99.997%  kept
          HN    ALA   91 - HB2   TRP   87   8.59 +/- 1.21   2.526% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  19.63 +/- 3.47   0.496% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  22.81 +/- 5.74   0.207% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  27.89 +/- 7.65   0.288% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.21, residual support = 74.4:
      O   HE3   TRP   87 - HB3   TRP   87   3.93 +/- 0.06  81.560% * 99.7445% (0.99  10.0   3.21  74.38) =  99.981%  kept
          HN    ALA   91 - HB3   TRP   87   7.39 +/- 0.98  14.500% *  0.0873% (0.87   1.0   0.02   0.02) =   0.016%
          HN    ALA   61 - HB3   TRP   87  18.76 +/- 3.45   2.193% *  0.0929% (0.92   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HB3   TRP   87  22.15 +/- 5.75   0.881% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLN   17 - HB3   TRP   87  27.37 +/- 7.56   0.866% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.59 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.15, residual support = 17.4:
          QD1   ILE   89 - HB2   TRP   87   3.94 +/- 0.81  65.616% * 59.3412% (0.90   2.38  17.50) =  74.918%  kept
          QG2   VAL   83 - HB2   TRP   87   5.46 +/- 0.56  32.362% * 40.2549% (1.00   1.45  17.07) =  25.066%  kept
          QD2   LEU   31 - HB2   TRP   87  18.22 +/- 5.00   2.021% *  0.4039% (0.73   0.02   0.02) =   0.016%
    Distance limit 3.92 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 = 3.84, residual support = 17.5:
        T QD1   ILE   89 - HB3   TRP   87   2.91 +/- 0.80  66.115% * 95.1892% (0.45 10.00   3.88  17.50) =  97.780%  kept
          QG2   VAL   83 - HB3   TRP   87   4.53 +/- 0.64  30.261% *  4.7146% (0.22  1.00   1.99  17.07) =   2.217%  kept
          QG2   VAL   75 - HB3   TRP   87  11.05 +/- 2.58   2.517% *  0.0590% (0.28  1.00   0.02   0.02) =   0.002%
          QG2   VAL   42 - HB3   TRP   87  14.61 +/- 2.95   1.107% *  0.0372% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.236, support = 0.73, residual support = 17.0:
          HG12  ILE   89 - HB3   TRP   87   3.61 +/- 1.07  76.314% * 54.8868% (0.22   0.75  17.50) =  97.295%  kept
          QB    ALA   91 - HB3   TRP   87   7.79 +/- 1.25  14.937% *  5.7027% (0.87   0.02   0.02) =   1.979%  kept
          QG2   ILE   56 - HB3   TRP   87  14.08 +/- 2.76   2.992% *  2.7027% (0.41   0.02   0.02) =   0.188%  kept
          HG2   LYS+  74 - HB3   TRP   87  17.06 +/- 2.37   1.220% *  5.8960% (0.90   0.02   0.02) =   0.167%  kept
          QG2   THR   39 - HB3   TRP   87  20.21 +/- 3.57   0.650% *  5.7027% (0.87   0.02   0.02) =   0.086%
          HG13  ILE   19 - HB3   TRP   87  24.22 +/- 6.18   0.474% *  6.5596% (1.00   0.02   0.02) =   0.072%
          HG    LEU   71 - HB3   TRP   87  22.85 +/- 4.58   0.509% *  5.7027% (0.87   0.02   0.02) =   0.067%
          HG3   LYS+  99 - HB3   TRP   87  24.46 +/- 4.30   0.383% *  6.0688% (0.92   0.02   0.02) =   0.054%
          HG3   LYS+ 111 - HB3   TRP   87  17.59 +/- 3.58   1.456% *  1.1513% (0.18   0.02   0.02) =   0.039%
          QB    ALA   34 - HB3   TRP   87  19.84 +/- 3.81   0.837% *  1.6393% (0.25   0.02   0.02) =   0.032%
          HG3   LYS+  38 - HB3   TRP   87  28.81 +/- 4.78   0.229% *  3.9875% (0.61   0.02   0.02) =   0.021%
    Distance limit 4.01 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.1:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.02  98.989% * 99.0353% (0.38  10.0   1.63  12.09) =  99.998%  kept
          HN    PHE   55 - HA    ALA   88  19.99 +/- 3.78   0.268% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    ALA   88  19.20 +/- 4.31   0.454% *  0.1449% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    ALA   88  23.85 +/- 4.25   0.179% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  26.14 +/- 5.91   0.111% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.08, residual support = 12.1:
      O   HN    ALA   88 - QB    ALA   88   2.88 +/- 0.12  96.811% * 99.2112% (0.38  10.0   2.08  12.09) =  99.994%  kept
          HN    PHE   55 - QB    ALA   88  17.06 +/- 3.19   0.832% *  0.2293% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ARG+  54 - QB    ALA   88  16.53 +/- 3.61   1.308% *  0.1185% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - QB    ALA   88  20.48 +/- 3.63   0.702% *  0.2117% (0.80   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA   88  22.56 +/- 4.85   0.346% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 216.8:
          QD1   ILE   89 - HA    ILE   89   3.18 +/- 0.75  84.413% * 99.6619% (0.92   5.98 216.93) =  99.956%  kept
          QG2   VAL   83 - HA    ILE   89   6.82 +/- 0.95  14.709% *  0.2481% (0.69   0.02   0.02) =   0.043%
          QD2   LEU   31 - HA    ILE   89  19.28 +/- 4.33   0.877% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 40.9:
      O   HN    GLN   90 - HA    ILE   89   2.77 +/- 0.48  96.094% * 99.8365% (0.99  10.0   6.44  40.90) =  99.998%  kept
          HN    SER   82 - HA    ILE   89  11.40 +/- 0.49   1.670% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HA    ILE   89  11.84 +/- 2.30   1.851% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  21.34 +/- 4.49   0.385% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 216.9:
      O   HN    ILE   89 - HA    ILE   89   2.65 +/- 0.24  99.349% * 99.6601% (0.76  10.0   6.00 216.93) =  99.999%  kept
          HN    CYS   21 - HA    ILE   89  21.99 +/- 4.98   0.245% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  22.01 +/- 2.35   0.209% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  29.64 +/- 3.61   0.084% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  27.93 +/- 4.47   0.113% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.91, support = 2.38, residual support = 8.38:
          HN    ALA   91 - HA    ILE   89   3.99 +/- 0.66  64.918% * 78.7369% (0.95   2.48   7.73) =  93.317%  kept
          HD1   TRP   87 - HA    ILE   89   6.30 +/- 0.87  21.605% * 14.1324% (0.38   1.12  17.50) =   5.574%  kept
          HE3   TRP   87 - HA    ILE   89   7.66 +/- 0.71  10.527% *  5.6077% (0.61   0.28  17.50) =   1.078%  kept
          HN    ALA   61 - HA    ILE   89  18.22 +/- 3.50   2.038% *  0.6009% (0.90   0.02   0.02) =   0.022%
          HN    TRP   27 - HA    ILE   89  23.33 +/- 5.31   0.667% *  0.6466% (0.97   0.02   0.02) =   0.008%
          HN    THR   39 - HA    ILE   89  27.45 +/- 3.64   0.245% *  0.2755% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.738, support = 5.29, residual support = 216.1:
      O T QD1   ILE   89 - HB    ILE   89   2.64 +/- 0.45  68.219% * 97.9319% (0.74  10.0 10.00   5.31 216.93) =  99.610%  kept
          QG2   VAL   83 - HB    ILE   89   5.53 +/- 1.50  14.063% *  1.7541% (0.55   1.0  1.00   0.48   0.02) =   0.368%  kept
        T QD1   ILE   89 - HB    VAL   43   9.81 +/- 2.80   5.300% *  0.2139% (0.16   1.0 10.00   0.02   0.02) =   0.017%
        T QD2   LEU   31 - HB    VAL   43  10.00 +/- 4.50   4.172% *  0.0578% (0.04   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   83 - HB    VAL   43   8.96 +/- 3.83   7.883% *  0.0159% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HB    ILE   89  18.37 +/- 4.74   0.363% *  0.0265% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 216.9:
      O T HG13  ILE   89 - HB    ILE   89   2.59 +/- 0.31  98.351% * 99.7821% (0.78  10.0 10.00   4.97 216.93) =  99.996%  kept
        T HG13  ILE   89 - HB    VAL   43  12.74 +/- 3.26   1.649% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 216.9:
      O   HN    ILE   89 - HB    ILE   89   2.86 +/- 0.72  92.413% * 99.5645% (0.61  10.0   5.57 216.93) =  99.997%  kept
          HN    CYS   21 - HB    ILE   89  21.03 +/- 5.48   0.513% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    VAL   43  13.68 +/- 2.91   2.009% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    VAL   43  13.88 +/- 4.82   1.634% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  21.40 +/- 2.24   0.286% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.81 +/- 2.53   1.039% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.87 +/- 1.40   0.698% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  28.70 +/- 3.64   0.140% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  16.03 +/- 3.41   1.063% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  26.97 +/- 4.86   0.205% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89  12.56 +/- 2.51 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.62 A violated in 20 structures by 8.94 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 1.05, residual support = 17.5:
          HD1   TRP   87 - QG2   ILE   89   4.32 +/- 0.39  94.273% * 94.3030% (0.95   1.05  17.50) =  99.922%  kept
          HN    LYS+ 102 - QG2   ILE   89  19.65 +/- 3.25   1.427% *  1.5151% (0.80   0.02   0.02) =   0.024%
          HN    THR   39 - QG2   ILE   89  21.31 +/- 2.73   1.024% *  1.7466% (0.92   0.02   0.02) =   0.020%
          HN    TRP   27 - QG2   ILE   89  17.94 +/- 4.49   2.520% *  0.6454% (0.34   0.02   0.02) =   0.018%
          HN    GLU-  36 - QG2   ILE   89  23.64 +/- 2.97   0.756% *  1.7899% (0.95   0.02   0.02) =   0.015%
    Distance limit 3.67 A violated in 0 structures by 0.65 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.31, residual support = 40.9:
          HN    GLN   90 - QG2   ILE   89   3.01 +/- 0.69  91.676% * 99.1958% (0.61   7.31  40.90) =  99.969%  kept
          HN    SER   82 - QG2   ILE   89   8.36 +/- 0.77   6.034% *  0.4131% (0.92   0.02   0.02) =   0.027%
          HN    ILE  103 - QG2   ILE   89  16.93 +/- 3.57   1.146% *  0.1840% (0.41   0.02   0.02) =   0.002%
          HN    GLY   16 - QG2   ILE   89  22.74 +/- 6.25   0.382% *  0.1381% (0.31   0.02   0.02) =   0.001%
          HN    SER  117 - QG2   ILE   89  16.74 +/- 1.75   0.763% *  0.0690% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 0.749, residual support = 11.5:
        T HB2   PHE   45 - QG2   ILE   89   5.85 +/- 2.76  75.465% * 99.5807% (0.97 10.00   0.75  11.48) =  99.927%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.11 +/- 2.50  14.744% *  0.2745% (1.00  1.00   0.02   0.02) =   0.054%
          HB2   CYS   21 - QG2   ILE   89  16.10 +/- 4.60   9.792% *  0.1448% (0.53  1.00   0.02   0.02) =   0.019%
    Distance limit 4.09 A violated in 7 structures by 1.96 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.228, support = 5.28, residual support = 35.0:
          QG    GLN   90 - QG2   ILE   89   4.43 +/- 0.47  42.483% * 68.8366% (0.15   6.12  40.90) =  85.525%  kept
          HG2   MET   92 - QG2   ILE   89   5.92 +/- 2.42  33.888% * 12.5095% (0.73   0.24   0.02) =  12.397%  kept
          HB2   ASP-  44 - QG2   ILE   89  10.18 +/- 2.29   4.478% * 13.0882% (0.28   0.65   0.02) =   1.714%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.00 +/- 2.10   8.258% *  0.8249% (0.57   0.02   0.02) =   0.199%  kept
          QG    GLU- 114 - QG2   ILE   89  12.41 +/- 2.03   1.984% *  0.9426% (0.65   0.02   0.02) =   0.055%
          HG2   PRO   52 - QG2   ILE   89  10.37 +/- 2.73   4.842% *  0.3244% (0.22   0.02   0.02) =   0.046%
          QG    GLU-  15 - QG2   ILE   89  21.37 +/- 5.70   1.225% *  0.5469% (0.38   0.02   0.02) =   0.020%
          QB    MET   11 - QG2   ILE   89  24.60 +/- 5.45   0.510% *  1.2171% (0.84   0.02   0.02) =   0.018%
          HB3   PHE   72 - QG2   ILE   89  15.15 +/- 2.94   1.411% *  0.2884% (0.20   0.02   0.02) =   0.012%
          QG    GLU-  14 - QG2   ILE   89  22.16 +/- 4.73   0.697% *  0.3633% (0.25   0.02   0.02) =   0.007%
          HG3   GLU-  36 - QG2   ILE   89  25.65 +/- 2.94   0.223% *  1.0581% (0.73   0.02   0.02) =   0.007%
    Distance limit 3.72 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.503, support = 1.16, residual support = 11.1:
        T HB3   PHE   45 - QG2   ILE   89   5.32 +/- 2.61  49.162% * 94.3147% (0.49 10.00   1.19  11.48) =  96.674%  kept
          HB3   ASP-  86 - QG2   ILE   89   6.70 +/- 1.33  32.998% *  4.7468% (1.00  1.00   0.29   0.02) =   3.266%  kept
          HB3   ASP-  62 - QG2   ILE   89  16.79 +/- 3.20   5.990% *  0.2485% (0.76  1.00   0.02   0.02) =   0.031%
          QE    LYS+ 112 - QG2   ILE   89  12.32 +/- 2.80   3.843% *  0.1583% (0.49  1.00   0.02   0.02) =   0.013%
          HG3   MET   96 - QG2   ILE   89  11.56 +/- 2.61   3.860% *  0.1109% (0.34  1.00   0.02   0.02) =   0.009%
          HG2   GLU-  29 - QG2   ILE   89  22.36 +/- 4.79   0.632% *  0.3138% (0.97  1.00   0.02   0.02) =   0.004%
          HB    VAL  107 - QG2   ILE   89  11.91 +/- 1.91   3.203% *  0.0502% (0.15  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  36 - QG2   ILE   89  25.84 +/- 2.98   0.312% *  0.0569% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.422, support = 3.28, residual support = 11.3:
          QB    ALA   84 - QG2   ILE   89   3.63 +/- 0.82  48.191% * 25.8674% (0.49   1.90  14.42) =  49.621%  kept
          QB    ALA   88 - QG2   ILE   89   5.00 +/- 0.52  24.456% * 45.0677% (0.31   5.23   9.51) =  43.874%  kept
          HB3   ASP-  44 - QG2   ILE   89   9.80 +/- 2.33   5.875% * 15.6406% (0.87   0.65   0.02) =   3.658%  kept
          HB3   PRO   93 - QG2   ILE   89   7.84 +/- 1.43   6.549% *  9.7200% (0.45   0.78   0.02) =   2.534%  kept
          HB3   LEU   80 - QG2   ILE   89   7.69 +/- 1.30   9.571% *  0.5532% (0.99   0.02   0.02) =   0.211%  kept
          HG2   LYS+ 111 - QG2   ILE   89  13.08 +/- 2.68   1.704% *  0.5386% (0.97   0.02   0.02) =   0.037%
          HB2   LEU   63 - QG2   ILE   89  15.07 +/- 2.37   0.947% *  0.5280% (0.95   0.02   0.02) =   0.020%
          HB2   LEU   31 - QG2   ILE   89  19.21 +/- 4.50   0.873% *  0.5532% (0.99   0.02   0.02) =   0.019%
          HG    LEU   98 - QG2   ILE   89  16.08 +/- 3.55   0.982% *  0.3385% (0.61   0.02   0.02) =   0.013%
          HG2   LYS+  99 - QG2   ILE   89  20.88 +/- 2.74   0.356% *  0.4265% (0.76   0.02   0.02) =   0.006%
          QB    ALA  124 - QG2   ILE   89  21.86 +/- 2.00   0.257% *  0.4053% (0.73   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QG2   ILE   89  23.69 +/- 2.91   0.239% *  0.3611% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.85, residual support = 216.9:
      O T HG13  ILE   89 - QG2   ILE   89   2.66 +/- 0.35 100.000% *100.0000% (0.98  10.0 10.00   5.85 216.93) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.915, support = 6.27, residual support = 209.5:
        T QD1   ILE   89 - QG2   ILE   89   2.09 +/- 0.44  77.395% * 88.8454% (0.92 10.00   6.48 216.93) =  96.586%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.33 +/- 1.22  21.833% * 11.1306% (0.69 10.00   0.34   0.02) =   3.413%  kept
          QD2   LEU   31 - QG2   ILE   89  14.72 +/- 3.74   0.772% *  0.0240% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.63, residual support = 216.9:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.02  88.616% * 99.4549% (0.92  10.0 10.00   5.64 216.93) =  99.992%  kept
          QG2   VAL   83 - HG12  ILE   89   5.64 +/- 1.25   8.039% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.007%
        T QD1   ILE   89 - HG3   LYS+  99  20.19 +/- 3.10   0.140% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG3   LYS+  99  10.57 +/- 2.93   2.732% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  18.52 +/- 4.60   0.281% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  19.32 +/- 4.23   0.192% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 216.9:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.958% * 99.5961% (0.98  10.0 10.00   5.17 216.93) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  25.42 +/- 3.50   0.042% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 5.23, residual support = 215.3:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.02  87.000% * 94.9207% (0.90  10.0 10.00   5.26 216.93) =  99.235%  kept
          QG2   VAL   83 - HG13  ILE   89   5.59 +/- 1.67  12.729% *  5.0025% (1.00   1.0  1.00   0.95   0.02) =   0.765%  kept
          QD2   LEU   31 - HG13  ILE   89  18.21 +/- 4.37   0.271% *  0.0769% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.85, residual support = 216.8:
      O T QG2   ILE   89 - HG13  ILE   89   2.66 +/- 0.35  89.681% * 99.3718% (0.84  10.0 10.00   5.85 216.93) =  99.927%  kept
          QG1   VAL   83 - HG13  ILE   89   7.17 +/- 1.79  10.319% *  0.6282% (0.22   1.0  1.00   0.47   0.02) =   0.073%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 216.9:
      O T HB    ILE   89 - HG13  ILE   89   2.59 +/- 0.31  95.927% * 98.8208% (0.49  10.0 10.00   4.97 216.93) =  99.981%  kept
        T HB    VAL   43 - HG13  ILE   89  12.74 +/- 3.26   1.608% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.017%
          QD    LYS+  81 - HG13  ILE   89  10.18 +/- 1.54   2.123% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HG13  ILE   89  23.34 +/- 3.31   0.180% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  24.02 +/- 3.28   0.162% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 216.9:
          HN    ILE   89 - HG13  ILE   89   3.75 +/- 0.67  97.436% * 98.7799% (0.76   5.52 216.93) =  99.990%  kept
          HN    CYS   21 - HG13  ILE   89  20.85 +/- 5.44   0.987% *  0.4198% (0.90   0.02   0.02) =   0.004%
          HN    ILE  119 - HG13  ILE   89  20.98 +/- 2.96   0.928% *  0.4427% (0.95   0.02   0.02) =   0.004%
          HN    SER   37 - HG13  ILE   89  28.40 +/- 3.57   0.277% *  0.2650% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  26.74 +/- 4.62   0.372% *  0.0926% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 5.78, residual support = 216.8:
          HN    ILE   89 - HG12  ILE   89   2.87 +/- 0.60  81.114% * 97.9517% (0.76   5.78 216.93) =  99.928%  kept
          HN    SER   37 - HG3   LYS+  99   9.99 +/- 3.63  12.672% *  0.3879% (0.23   0.08   0.02) =   0.062%
          HN    CYS   21 - HG3   LYS+  99  18.73 +/- 3.84   1.063% *  0.1613% (0.36   0.02   0.02) =   0.002%
          HN    ILE  119 - HG12  ILE   89  21.54 +/- 3.00   0.383% *  0.4195% (0.95   0.02   0.02) =   0.002%
          HN    CYS   21 - HG12  ILE   89  21.33 +/- 5.54   0.358% *  0.3977% (0.90   0.02   0.02) =   0.002%
          HN    LYS+  33 - HG3   LYS+  99  11.89 +/- 3.53   3.315% *  0.0356% (0.08   0.02   0.02) =   0.001%
          HN    ILE  119 - HG3   LYS+  99  17.04 +/- 3.34   0.665% *  0.1701% (0.38   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  28.78 +/- 3.76   0.114% *  0.2511% (0.57   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  26.05 +/- 3.58   0.174% *  0.1374% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  27.11 +/- 4.87   0.143% *  0.0878% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.26, residual support = 216.9:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.26 216.93) = 100.000%  kept
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.827, support = 6.41, residual support = 214.0:
        T QG2   ILE   89 - QD1   ILE   89   2.09 +/- 0.44  85.884% * 92.4011% (0.84 10.00   6.48 216.93) =  98.666%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.68 +/- 1.44  14.116% *  7.5989% (0.22 10.00   0.62   0.02) =   1.334%  kept
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.64, residual support = 216.9:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.02  96.812% * 99.2664% (1.00  10.0 10.00   5.64 216.93) =  99.998%  kept
          HG3   LYS+ 111 - QD1   ILE   89  12.74 +/- 3.20   0.796% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD1   ILE   89  20.19 +/- 3.10   0.154% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  12.84 +/- 1.79   0.574% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  13.58 +/- 2.86   0.657% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  18.27 +/- 3.76   0.280% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  17.58 +/- 3.83   0.424% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  19.42 +/- 4.97   0.304% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 5.31, residual support = 216.7:
      O T HB    ILE   89 - QD1   ILE   89   2.64 +/- 0.45  88.260% * 98.8208% (0.49  10.0 10.00   5.31 216.93) =  99.911%  kept
        T HB    VAL   43 - QD1   ILE   89   9.81 +/- 2.80   7.552% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.085%
          QD    LYS+  81 - QD1   ILE   89   9.06 +/- 1.46   3.385% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QD1   ILE   89  18.46 +/- 2.93   0.425% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  19.01 +/- 2.91   0.378% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.564, support = 0.02, residual support = 0.02:
        T HB3   MET   96 - QD1   ILE   89  10.06 +/- 3.33  40.167% * 63.9859% (0.53 10.00   0.02   0.02) =  83.986%  kept
          HB3   ARG+  54 - QD1   ILE   89  13.64 +/- 3.73  26.153% * 10.5495% (0.87  1.00   0.02   0.02) =   9.016%  kept
          HB2   LEU   40 - QD1   ILE   89  17.88 +/- 3.18   7.267% * 10.9071% (0.90  1.00   0.02   0.02) =   2.590%  kept
          HB    VAL   18 - QD1   ILE   89  19.41 +/- 6.26   9.433% *  7.3765% (0.61  1.00   0.02   0.02) =   2.274%  kept
          HB2   LEU   67 - QD1   ILE   89  16.89 +/- 2.85  12.378% *  4.1485% (0.34  1.00   0.02   0.02) =   1.678%  kept
          HB3   GLU-  14 - QD1   ILE   89  24.56 +/- 5.28   4.603% *  3.0326% (0.25  1.00   0.02   0.02) =   0.456%  kept
    Distance limit 3.65 A violated in 18 structures by 4.82 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.88, residual support = 17.5:
        T HB3   TRP   87 - QD1   ILE   89   2.91 +/- 0.80  95.416% * 99.8369% (0.76 10.00   3.88  17.50) =  99.998%  kept
          HG3   GLN  116 - QD1   ILE   89  17.40 +/- 2.28   1.229% *  0.1091% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - QD1   ILE   89  11.00 +/- 2.70   3.126% *  0.0177% (0.14  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  25.57 +/- 3.11   0.229% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.493, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  13.60 +/- 2.66  55.659% * 62.4025% (0.57   0.02   0.02) =  67.568%  kept
          HB    THR  118 - QD1   ILE   89  14.83 +/- 2.56  44.341% * 37.5975% (0.34   0.02   0.02) =  32.432%  kept
    Distance limit 3.01 A violated in 20 structures by 9.39 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.24, residual support = 11.5:
          QD    PHE   45 - QD1   ILE   89   4.77 +/- 2.36  88.482% * 95.5991% (0.45   2.24  11.48) =  99.788%  kept
          HD2   HIS  122 - QD1   ILE   89  17.84 +/- 2.77   4.901% *  1.8863% (0.99   0.02   0.02) =   0.109%  kept
          HE22  GLN  116 - QD1   ILE   89  18.49 +/- 2.40   3.611% *  1.8654% (0.98   0.02   0.02) =   0.079%
          HE22  GLN   17 - QD1   ILE   89  23.56 +/- 5.00   3.006% *  0.6492% (0.34   0.02   0.02) =   0.023%
    Distance limit 3.94 A violated in 7 structures by 1.35 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.872, support = 2.32, residual support = 17.5:
          HN    TRP   87 - QD1   ILE   89   4.39 +/- 1.01  57.175% * 79.2553% (0.97   2.37  17.50) =  86.476%  kept
          HE3   TRP   87 - QD1   ILE   89   5.47 +/- 0.82  36.315% * 19.3952% (0.28   2.01  17.50) =  13.441%  kept
          HD21  ASN   69 - QD1   ILE   89  20.12 +/- 4.18   5.286% *  0.6560% (0.95   0.02   0.02) =   0.066%
          HN    GLN   17 - QD1   ILE   89  22.10 +/- 5.90   1.224% *  0.6935% (1.00   0.02   0.02) =   0.016%
    Distance limit 4.00 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 216.9:
          HN    ILE   89 - QD1   ILE   89   3.17 +/- 0.80  96.700% * 98.8552% (0.76   5.89 216.93) =  99.988%  kept
          HN    CYS   21 - QD1   ILE   89  16.91 +/- 4.38   1.339% *  0.3938% (0.90   0.02   0.02) =   0.006%
          HN    ILE  119 - QD1   ILE   89  16.59 +/- 2.37   1.080% *  0.4154% (0.95   0.02   0.02) =   0.005%
          HN    SER   37 - QD1   ILE   89  22.86 +/- 2.97   0.359% *  0.2486% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE   89  21.55 +/- 3.72   0.522% *  0.0869% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.03, residual support = 94.8:
          HN    GLN   90 - QG    GLN   90   2.82 +/- 0.76  98.224% * 99.2725% (0.69   6.03  94.81) =  99.994%  kept
          HN    GLY  109 - QG    GLN   90  13.08 +/- 1.82   1.387% *  0.3295% (0.69   0.02   0.02) =   0.005%
          HN    ILE  103 - QG    GLN   90  21.91 +/- 3.37   0.389% *  0.3980% (0.83   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 94.8:
      O   HN    GLN   90 - HB3   GLN   90   3.19 +/- 0.43  96.102% * 99.8365% (0.83  10.0   5.59  94.81) =  99.998%  kept
          HN    SER   82 - HB3   GLN   90  12.33 +/- 1.53   2.067% *  0.0452% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB3   GLN   90  13.71 +/- 2.07   1.527% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  24.11 +/- 3.07   0.303% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 4.12, residual support = 56.6:
      O   HN    GLU-  79 - HB3   GLU-  79   2.84 +/- 0.61  82.098% * 98.3257% (0.16  10.0   4.12  56.62) =  99.934%  kept
          HN    SER   85 - HB2   GLN   90   8.59 +/- 1.42   8.532% *  0.3734% (0.61   1.0   0.02   0.02) =   0.039%
          HN    SER   85 - HB3   GLU-  79  10.63 +/- 1.39   3.004% *  0.2703% (0.44   1.0   0.02   0.02) =   0.010%
          HN    THR   94 - HB2   GLN   90  12.09 +/- 0.65   1.443% *  0.3357% (0.55   1.0   0.02   0.02) =   0.006%
          HN    GLU-  79 - HB2   GLN   90  11.86 +/- 2.42   2.774% *  0.1359% (0.22   1.0   0.02   0.02) =   0.005%
          HN    THR   94 - HB3   GLU-  79  12.79 +/- 2.36   1.493% *  0.2429% (0.40   1.0   0.02   0.02) =   0.004%
          HN    GLN   32 - HB3   GLU-  79  21.31 +/- 5.44   0.480% *  0.1327% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  28.98 +/- 5.86   0.175% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.567, support = 4.38, residual support = 56.5:
      O T HA    GLU-  79 - HB3   GLU-  79   2.62 +/- 0.17  70.710% * 94.7187% (0.57  10.0 10.00   4.39  56.62) =  99.796%  kept
          HB    THR   77 - HB3   GLU-  79   7.51 +/- 0.82   3.418% *  2.6020% (0.46   1.0  1.00   0.67   0.02) =   0.133%  kept
        T HA    GLU-  79 - HB2   GLN   90  12.95 +/- 3.12   1.765% *  1.3088% (0.78   1.0 10.00   0.02   0.02) =   0.034%
          HA    SER   85 - HB2   GLN   90   7.63 +/- 1.60  15.377% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.024%
          HB    THR   77 - HB2   GLN   90   9.56 +/- 2.72   2.950% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.005%
          HA1   GLY   51 - HB2   GLN   90  14.73 +/- 4.58   1.904% *  0.1158% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HB3   GLU-  79  12.95 +/- 1.80   0.847% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.56 +/- 2.14   0.797% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  15.02 +/- 1.96   0.447% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLN   90  18.43 +/- 4.19   0.342% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.94 +/- 3.37   0.288% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.40 +/- 4.27   0.439% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.47 +/- 3.16   0.162% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.48 +/- 2.76   0.149% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.46 +/- 7.92   0.197% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  24.00 +/- 2.64   0.104% *  0.1197% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.91 +/- 2.68   0.055% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  35.89 +/- 7.30   0.048% *  0.0917% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.619, support = 0.815, residual support = 0.786:
          QB    ALA   88 - QG    GLN   90   5.17 +/- 1.13  64.884% * 93.5966% (0.62   0.83   0.80) =  98.415%  kept
          QG2   THR   77 - QG    GLN   90   7.82 +/- 1.70  27.511% *  3.2254% (0.88   0.02   0.02) =   1.438%  kept
          QG2   THR   23 - QG    GLN   90  18.82 +/- 4.97   6.424% *  1.2350% (0.34   0.02   0.02) =   0.129%  kept
          HG2   LYS+  38 - QG    GLN   90  29.14 +/- 2.99   0.530% *  1.1224% (0.31   0.02   0.02) =   0.010%
          HG2   LYS+  99 - QG    GLN   90  26.31 +/- 2.43   0.651% *  0.8205% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.56 A violated in 9 structures by 1.42 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.637, support = 0.02, residual support = 0.02:
          HD3   LYS+  74 - QG    GLN   90  16.22 +/- 1.53  10.505% * 17.3194% (0.89   0.02   0.02) =  24.464%  kept
          QG    LYS+  81 - QG    GLN   90   8.42 +/- 2.08  47.883% *  3.4351% (0.18   0.02   0.02) =  22.117%  kept
          HB3   LYS+ 111 - QG    GLN   90  16.99 +/- 1.83   9.441% * 17.3580% (0.90   0.02   0.02) =  22.034%  kept
          HG    LEU  104 - QG    GLN   90  23.46 +/- 2.35   3.242% * 17.0143% (0.88   0.02   0.02) =   7.417%  kept
          HB3   LYS+ 121 - QG    GLN   90  24.42 +/- 1.76   2.596% * 17.0143% (0.88   0.02   0.02) =   5.940%  kept
          QD    LYS+  66 - QG    GLN   90  22.22 +/- 2.84   4.483% *  9.8273% (0.51   0.02   0.02) =   5.925%  kept
          HG2   LYS+  33 - QG    GLN   90  26.78 +/- 4.81   4.485% *  8.4490% (0.44   0.02   0.02) =   5.095%  kept
          HG2   LYS+  65 - QG    GLN   90  21.60 +/- 4.49   7.935% *  3.0399% (0.16   0.02   0.02) =   3.244%  kept
          HG2   LYS+ 106 - QG    GLN   90  18.10 +/- 2.55   7.121% *  2.6782% (0.14   0.02   0.02) =   2.565%  kept
          HD2   LYS+ 121 - QG    GLN   90  24.68 +/- 1.66   2.308% *  3.8645% (0.20   0.02   0.02) =   1.199%  kept
    Distance limit 3.81 A violated in 19 structures by 4.30 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.728, support = 2.88, residual support = 60.4:
      O   HG3   MET   92 - HB2   MET   92   2.69 +/- 0.28  83.601% * 74.4078% (0.73  10.0  1.00   2.96  62.47) =  96.622%  kept
        T QG    GLN   90 - HB2   MET   92   7.82 +/- 1.68   9.860% * 21.0189% (0.80   1.0 10.00   0.51   0.19) =   3.219%  kept
          HB2   ASP-  44 - HB2   MET   92  11.63 +/- 2.16   3.517% *  2.7681% (0.61   1.0  1.00   0.89   0.48) =   0.151%  kept
        T HB2   ASP- 105 - HB2   MET   92  16.27 +/- 1.38   0.453% *  0.3495% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  15 - HB2   MET   92  25.93 +/- 5.45   0.291% *  0.4988% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  27.01 +/- 4.54   0.151% *  0.6629% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB2   MET   92  16.84 +/- 1.39   0.393% *  0.1022% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  17.95 +/- 2.90   0.471% *  0.0744% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   MET   92  14.39 +/- 3.80   1.041% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.34 +/- 4.03   0.125% *  0.0856% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.33 +/- 1.20   0.097% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 62.5:
      O   HN    MET   92 - HB2   MET   92   2.58 +/- 0.50  79.673% * 99.7272% (0.92  10.0   3.94  62.47) =  99.974%  kept
          HN    THR   46 - HB2   MET   92   8.11 +/- 2.29  18.741% *  0.1078% (1.00   1.0   0.02   0.02) =   0.025%
          HN    LYS+  74 - HB2   MET   92  16.61 +/- 2.59   0.415% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  11.88 +/- 1.81   1.076% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  34.11 +/- 6.53   0.095% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.5:
      O T HA    MET   92 - HB2   MET   92   2.87 +/- 0.20  99.357% * 99.8006% (0.61  10.0 10.00   3.87  62.47) =  99.999%  kept
          HA    VAL   41 - HB2   MET   92  18.85 +/- 1.82   0.433% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  23.18 +/- 1.80   0.209% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.28, residual support = 62.2:
      O   HG3   MET   92 - HB3   MET   92   2.71 +/- 0.26  88.480% * 90.5726% (0.73  10.0   3.29  62.47) =  99.588%  kept
          HB2   ASP-  44 - HB3   MET   92  11.00 +/- 2.09   3.186% *  6.3320% (0.61   1.0   1.67   0.48) =   0.251%  kept
          QG    GLN   90 - HB3   MET   92   8.59 +/- 1.58   5.006% *  2.5534% (0.80   1.0   0.51   0.19) =   0.159%  kept
          HG12  ILE  119 - HB3   MET   92  15.80 +/- 1.52   0.505% *  0.1245% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  17.26 +/- 2.94   0.507% *  0.0906% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   MET   92  14.17 +/- 3.77   1.226% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.60 +/- 1.31   0.488% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.87 +/- 3.58   0.143% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  25.37 +/- 5.04   0.216% *  0.0607% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.46 +/- 4.20   0.135% *  0.0807% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  25.87 +/- 1.06   0.109% *  0.0169% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 62.5:
      O T HA    MET   92 - HB3   MET   92   2.69 +/- 0.21  99.452% * 99.8006% (0.61  10.0 10.00   4.22  62.47) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  22.27 +/- 1.59   0.194% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  18.38 +/- 1.75   0.355% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.5:
      O T HA    MET   92 - HG2   MET   92   2.96 +/- 0.50  99.167% * 99.8006% (0.61  10.0 10.00   2.49  62.47) =  99.999%  kept
          HA    VAL   41 - HG2   MET   92  19.22 +/- 2.02   0.560% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG2   MET   92  23.14 +/- 2.18   0.274% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.338, support = 0.683, residual support = 3.93:
          HB2   SER   37 - QG2   THR   39   3.06 +/- 0.83  79.350% * 49.0562% (0.30   0.74   4.58) =  85.715%  kept
          HA1   GLY   16 - QG2   THR   39  11.82 +/- 6.59  15.009% * 42.6948% (0.60   0.32   0.02) =  14.111%  kept
          HA    LYS+  66 - QG2   THR   39  13.66 +/- 1.94   1.692% *  2.0355% (0.46   0.02   0.02) =   0.076%
          HA1   GLY   16 - QG2   THR   23  15.70 +/- 2.09   1.281% *  1.4913% (0.33   0.02   0.02) =   0.042%
          HA    LYS+  66 - QG2   THR   23  18.78 +/- 3.84   0.921% *  1.1422% (0.26   0.02   0.02) =   0.023%
          HB2   SER   37 - QG2   THR   23  17.31 +/- 2.05   0.729% *  0.7406% (0.17   0.02   0.02) =   0.012%
          HA    LYS+  66 - QB    ALA   91  19.06 +/- 2.95   0.421% *  0.9612% (0.22   0.02   0.02) =   0.009%
          HA1   GLY   16 - QB    ALA   91  23.62 +/- 6.67   0.322% *  1.2550% (0.28   0.02   0.02) =   0.009%
          HB2   SER   37 - QB    ALA   91  23.33 +/- 2.53   0.275% *  0.6232% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.49 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.29, residual support = 62.5:
      O   HN    MET   92 - HB3   MET   92   3.47 +/- 0.30  77.356% * 99.8535% (0.92  10.0   4.29  62.47) =  99.978%  kept
          HN    THR   46 - HB3   MET   92   8.03 +/- 1.97  19.584% *  0.0827% (0.76   1.0   0.02   0.02) =   0.021%
          HN    ASP- 113 - HB3   MET   92  12.79 +/- 2.01   1.965% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB3   MET   92  16.06 +/- 2.74   1.096% *  0.0369% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.695, support = 0.02, residual support = 0.0383:
          HA    THR   46 - HB3   MET   92   7.31 +/- 1.49  43.020% * 16.4223% (0.80   0.02   0.02) =  66.952%  kept
          HA    GLN   90 - HB3   MET   92   8.24 +/- 0.98  31.676% *  3.5917% (0.18   0.02   0.19) =  10.782%  kept
          HA    VAL   42 - HB3   MET   92  14.99 +/- 1.60   5.275% * 18.3930% (0.90   0.02   0.02) =   9.195%  kept
          HA    PHE   55 - HB3   MET   92  13.04 +/- 2.69   9.971% *  6.3300% (0.31   0.02   0.02) =   5.982%  kept
          HA    GLN   17 - HB3   MET   92  25.10 +/- 5.89   1.366% * 17.7900% (0.87   0.02   0.02) =   2.303%  kept
          HA    PRO   58 - HB3   MET   92  16.00 +/- 2.91   4.516% *  5.1139% (0.25   0.02   0.02) =   2.189%  kept
          HA    SER   37 - HB3   MET   92  29.23 +/- 1.71   0.663% * 17.7900% (0.87   0.02   0.02) =   1.118%  kept
          HA    GLU-  15 - HB3   MET   92  27.49 +/- 5.00   1.092% *  5.7022% (0.28   0.02   0.02) =   0.590%  kept
          HA    LEU   40 - HB3   MET   92  21.33 +/- 1.51   1.738% *  3.1644% (0.15   0.02   0.02) =   0.521%  kept
          HA    SER   13 - HB3   MET   92  30.08 +/- 3.67   0.681% *  5.7022% (0.28   0.02   0.02) =   0.368%  kept
    Distance limit 4.30 A violated in 16 structures by 2.20 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.5:
      O T HA    MET   92 - HG3   MET   92   3.11 +/- 0.79  98.282% * 99.9198% (0.99  10.0 10.00   3.97  62.47) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  15.53 +/- 2.09   1.340% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG3   MET   92  23.26 +/- 1.87   0.377% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.921, support = 4.0, residual support = 61.7:
          HN    MET   92 - HG3   MET   92   3.93 +/- 0.63  81.592% * 91.9577% (0.92   4.04  62.47) =  98.692%  kept
          HN    THR   46 - HG3   MET   92   8.67 +/- 2.09  12.730% *  7.7513% (0.76   0.41   0.02) =   1.298%  kept
          HN    ASP- 113 - HG3   MET   92  13.36 +/- 2.40   4.235% *  0.1229% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  74 - HG3   MET   92  16.90 +/- 2.60   1.443% *  0.1681% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 1.31, residual support = 2.8:
          QD    PHE   45 - HB2   PRO   93   5.88 +/- 1.40  70.871% * 99.2675% (0.41   1.31   2.80) =  99.861%  kept
          HN    LYS+  65 - HB2   PRO   93  13.14 +/- 2.40  15.385% *  0.5698% (0.15   0.02   0.02) =   0.124%  kept
          QD    PHE   45 - HG3   GLN   30  15.86 +/- 2.98   5.652% *  0.1183% (0.03   0.02   0.02) =   0.009%
          HN    LYS+  65 - HG3   GLN   30  16.07 +/- 3.36   8.091% *  0.0444% (0.01   0.02   0.02) =   0.005%
    Distance limit 4.41 A violated in 11 structures by 1.52 A, kept.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.38, residual support = 15.5:
      O   HN    THR   94 - HB2   PRO   93   3.87 +/- 0.18  88.413% * 99.8806% (1.00  10.0   4.38  15.52) =  99.994%  kept
          HN    GLU-  79 - HB2   PRO   93  11.51 +/- 2.38   5.233% *  0.0727% (0.73   1.0   0.02   0.02) =   0.004%
          HN    SER   85 - HB2   PRO   93  14.05 +/- 2.38   3.289% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - HG3   GLN   30  18.88 +/- 2.84   1.040% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  19.21 +/- 5.34   1.342% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  24.47 +/- 6.39   0.684% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.39, support = 0.02, residual support = 2.57:
          QD    PHE   45 - HG2   PRO   93   7.21 +/- 1.52  80.575% * 72.7108% (0.41   0.02   2.80) =  91.703%  kept
          HN    LYS+  65 - HG2   PRO   93  14.70 +/- 2.31  19.425% * 27.2892% (0.15   0.02   0.02) =   8.297%  kept
    Distance limit 4.24 A violated in 17 structures by 2.91 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   2.41 +/- 0.22  94.040% * 98.6893% (0.84  10.0  1.00   5.30 132.34) =  99.990%  kept
          HB2   ARG+  54 - HG3   PRO   93  10.11 +/- 2.42   2.888% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HG3   PRO   93  22.11 +/- 3.87   0.376% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HG3   PRO   93  10.83 +/- 2.00   1.422% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG3   PRO   93  14.53 +/- 1.70   0.535% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  21.28 +/- 3.45   0.368% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.64 +/- 1.53   0.078% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  20.94 +/- 3.07   0.225% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  31.25 +/- 5.10   0.068% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.3:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  95.399% * 96.9677% (0.99  10.0 10.00   3.97 132.34) =  99.994%  kept
        T QB    LYS+  65 - HG3   PRO   93  13.77 +/- 2.29   0.308% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HG3   PRO   93   8.42 +/- 3.88   3.600% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   PRO   93  18.12 +/- 2.26   0.136% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  20.93 +/- 1.13   0.058% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   PRO   93  19.51 +/- 2.05   0.082% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.99 +/- 2.26   0.157% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.26 +/- 3.52   0.107% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.39 +/- 1.63   0.090% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  23.35 +/- 5.25   0.064% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.9, residual support = 128.2:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  79.722% * 73.9512% (0.95  10.0 10.00   3.97 132.34) =  96.888%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.83 +/- 3.65  12.982% *  8.7744% (0.98   1.0 10.00   0.23   0.02) =   1.872%  kept
          HB3   MET   92 - HG2   PRO   93   4.97 +/- 0.89   4.736% * 15.8861% (0.92   1.0  1.00   4.40   1.89) =   1.237%  kept
          HB2   LEU   73 - HG2   PRO   93  14.30 +/- 5.23   1.362% *  0.0626% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   PRO   93  15.38 +/- 2.48   0.175% *  0.1740% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   PRO   93  21.29 +/- 1.40   0.047% *  0.6260% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  24.61 +/- 2.75   0.036% *  0.3214% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.80 +/- 1.62   0.240% *  0.0474% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  13.87 +/- 2.97   0.487% *  0.0217% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  20.02 +/- 1.74   0.060% *  0.0754% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.26 +/- 1.33   0.054% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.86 +/- 1.49   0.098% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.33 +/- 0.13  80.934% * 99.5358% (0.97  10.0   3.97 132.34) =  99.978%  kept
          HB3   CYS   53 - HG3   PRO   93   7.56 +/- 3.02   9.682% *  0.0861% (0.84   1.0   0.02   0.02) =   0.010%
          QB    PHE   55 - HG3   PRO   93   7.61 +/- 3.07   6.577% *  0.1029% (1.00   1.0   0.02   0.02) =   0.008%
          HB2   PHE   59 - HG3   PRO   93  11.16 +/- 2.74   1.269% *  0.0952% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HG3   PRO   93  11.18 +/- 2.57   1.345% *  0.0788% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   PRO   93  18.71 +/- 2.70   0.192% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.84 +/- 0.13  91.650% * 99.4436% (0.25  10.0   3.97 132.34) =  99.974%  kept
          HA    THR   77 - HG3   PRO   93  10.65 +/- 3.37   5.877% *  0.3681% (0.92   1.0   0.02   0.02) =   0.024%
          HB2   TRP   27 - HG3   PRO   93  19.55 +/- 4.22   2.037% *  0.0994% (0.25   1.0   0.02   0.02) =   0.002%
          HA    LEU   31 - HG3   PRO   93  22.21 +/- 3.52   0.436% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  14.47 +/- 2.28 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.29 A violated in 20 structures by 10.18 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.693, support = 1.83, residual support = 4.46:
          HN    ALA  110 - HD2   PRO   93   5.75 +/- 2.77  57.056% * 74.8858% (0.71   2.00   4.74) =  87.295%  kept
          HN    PHE   45 - HD2   PRO   93   7.61 +/- 1.17  26.590% * 21.2162% (0.61   0.66   2.80) =  11.526%  kept
          HN    ASP-  44 - HD2   PRO   93  11.18 +/- 1.99  15.290% *  3.7642% (0.11   0.64   0.02) =   1.176%  kept
          HN    GLU-  25 - HD2   PRO   93  23.22 +/- 4.64   1.064% *  0.1338% (0.13   0.02   0.02) =   0.003%
    Distance limit 4.35 A violated in 2 structures by 0.62 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.426, support = 0.02, residual support = 0.02:
          HA1   GLY  109 - HD2   PRO   93   7.91 +/- 2.53  43.662% * 14.0670% (0.38   0.02   0.02) =  42.851%  kept
          HA    CYS   50 - HD2   PRO   93  10.83 +/- 3.80  28.677% * 13.0143% (0.35   0.02   0.02) =  26.039%  kept
          HA    CYS   21 - HD2   PRO   93  20.40 +/- 3.81   7.833% * 23.1925% (0.63   0.02   0.02) =  12.675%  kept
          HA    TRP   49 - HD2   PRO   93  13.28 +/- 1.97   9.217% * 18.3659% (0.50   0.02   0.02) =  11.810%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.36 +/- 1.03   2.059% * 26.6778% (0.72   0.02   0.02) =   3.832%  kept
          HA    ALA   20 - HD2   PRO   93  20.11 +/- 4.53   8.553% *  4.6825% (0.13   0.02   0.02) =   2.794%  kept
    Distance limit 4.30 A violated in 15 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.685, support = 1.98, residual support = 4.7:
          QB    ALA  110 - HD2   PRO   93   4.94 +/- 2.60  44.361% * 92.9394% (0.69   2.00   4.74) =  99.124%  kept
          QB    ALA   61 - HD2   PRO   93  10.92 +/- 2.56  14.703% *  0.9803% (0.72   0.02   0.02) =   0.347%  kept
          HG    LEU   80 - HD2   PRO   93  15.43 +/- 4.15   7.014% *  0.9482% (0.70   0.02   0.02) =   0.160%  kept
          HB2   LEU   80 - HD2   PRO   93  14.39 +/- 3.86   9.412% *  0.4782% (0.35   0.02   0.02) =   0.108%  kept
          HG    LEU   73 - HD2   PRO   93  15.84 +/- 4.52   6.410% *  0.5959% (0.44   0.02   0.02) =   0.092%
          HB3   LEU   67 - HD2   PRO   93  18.32 +/- 2.90   1.905% *  0.9294% (0.69   0.02   0.02) =   0.043%
          HB3   LEU  115 - HD2   PRO   93  10.01 +/- 1.59   7.219% *  0.1721% (0.13   0.02   0.02) =   0.030%
          HG12  ILE   19 - HD2   PRO   93  22.35 +/- 4.28   1.195% *  0.8811% (0.65   0.02   0.02) =   0.025%
          HB3   LYS+  74 - HD2   PRO   93  15.31 +/- 2.78   3.463% *  0.3032% (0.22   0.02   0.02) =   0.025%
          QG    LYS+  66 - HD2   PRO   93  18.17 +/- 2.29   1.333% *  0.7867% (0.58   0.02   0.02) =   0.025%
          HD3   LYS+ 121 - HD2   PRO   93  19.46 +/- 1.38   1.067% *  0.3351% (0.25   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HD2   PRO   93  24.36 +/- 1.28   0.600% *  0.4782% (0.35   0.02   0.02) =   0.007%
          HG    LEU   40 - HD2   PRO   93  20.11 +/- 1.98   1.319% *  0.1721% (0.13   0.02   0.02) =   0.005%
    Distance limit 3.89 A violated in 6 structures by 0.92 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.524, support = 1.58, residual support = 8.94:
          QB    ALA  110 - HD3   PRO   93   5.85 +/- 2.61  21.867% * 56.7265% (0.78   0.75   4.74) =  62.798%  kept
          HB3   LEU   67 - HD3   PRO   68   4.43 +/- 0.32  24.419% * 25.5989% (0.08   3.39  18.85) =  31.647%  kept
          QG    LYS+  66 - HD3   PRO   68   4.89 +/- 1.26  21.262% *  3.7614% (0.05   0.79   0.02) =   4.049%  kept
          HB2   LEU   80 - HD3   PRO   93  13.77 +/- 3.82   6.707% *  1.6497% (0.85   0.02   0.02) =   0.560%  kept
          HG    LEU   80 - HD3   PRO   93  14.87 +/- 4.10   5.430% *  1.4566% (0.75   0.02   0.02) =   0.400%  kept
          QB    ALA   61 - HD3   PRO   93  10.65 +/- 2.64   3.965% *  1.1281% (0.58   0.02   0.02) =   0.226%  kept
          HB3   LYS+  74 - HD3   PRO   93  14.87 +/- 2.69   1.012% *  1.3964% (0.72   0.02   0.02) =   0.072%
          HB3   LYS+  74 - HD3   PRO   68  12.91 +/- 3.34   2.610% *  0.2485% (0.13   0.02   0.02) =   0.033%
          QB    ALA   61 - HD3   PRO   68   9.31 +/- 1.22   2.607% *  0.2008% (0.10   0.02   0.02) =   0.026%
          HD3   LYS+ 121 - HD3   PRO   68  15.40 +/- 4.62   2.015% *  0.2592% (0.13   0.02   0.02) =   0.026%
          HG    LEU   73 - HD3   PRO   93  15.68 +/- 4.47   1.674% *  0.3054% (0.16   0.02   0.02) =   0.026%
          HG12  ILE   19 - HD3   PRO   93  22.18 +/- 4.55   0.309% *  1.6098% (0.83   0.02   0.02) =   0.025%
          QB    LEU   98 - HD3   PRO   93  16.90 +/- 1.24   0.415% *  0.9175% (0.47   0.02   0.02) =   0.019%
          HB3   LEU   67 - HD3   PRO   93  18.29 +/- 2.78   0.443% *  0.8488% (0.44   0.02   0.02) =   0.019%
          HD3   LYS+ 121 - HD3   PRO   93  20.21 +/- 1.58   0.248% *  1.4566% (0.75   0.02   0.02) =   0.018%
          HG12  ILE   19 - HD3   PRO   68  15.59 +/- 4.62   0.787% *  0.2865% (0.15   0.02   0.02) =   0.011%
          QG    LYS+  66 - HD3   PRO   93  18.14 +/- 2.20   0.376% *  0.5383% (0.28   0.02   0.02) =   0.010%
          QB    ALA  110 - HD3   PRO   68  17.54 +/- 2.62   0.531% *  0.2692% (0.14   0.02   0.02) =   0.007%
          QB    LEU   98 - HD3   PRO   68  14.10 +/- 2.41   0.869% *  0.1633% (0.08   0.02   0.02) =   0.007%
          HB2   LEU   80 - HD3   PRO   68  20.85 +/- 3.66   0.289% *  0.2936% (0.15   0.02   0.02) =   0.004%
          QB    ALA   12 - HD3   PRO   68  17.98 +/- 4.67   0.924% *  0.0863% (0.04   0.02   0.02) =   0.004%
          QB    ALA   12 - HD3   PRO   93  26.15 +/- 4.33   0.161% *  0.4849% (0.25   0.02   0.02) =   0.004%
          HG    LEU   80 - HD3   PRO   68  21.40 +/- 4.22   0.270% *  0.2592% (0.13   0.02   0.02) =   0.004%
          HG    LEU   73 - HD3   PRO   68  14.23 +/- 1.67   0.811% *  0.0544% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 0.02, residual support = 1.05:
          QG2   ILE   89 - HB    THR   94   6.46 +/- 2.31 100.000% *100.0000% (0.28   0.02   1.05) = 100.000%  kept
    Distance limit 3.40 A violated in 16 structures by 3.08 A, eliminated.
    Peak unassigned.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.715, support = 0.702, residual support = 0.852:
          QD1   ILE   89 - HB    THR   94   6.42 +/- 2.00  54.175% * 63.1100% (0.77   0.75   1.05) =  71.723%  kept
          QG2   VAL   83 - HB    THR   94   8.12 +/- 3.60  36.884% * 36.4354% (0.57   0.58   0.34) =  28.192%  kept
          QD2   LEU   31 - HB    THR   94  14.45 +/- 3.54   8.941% *  0.4546% (0.21   0.02   0.02) =   0.085%
    Distance limit 3.75 A violated in 9 structures by 1.80 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 28.2:
        T HB2   PHE   45 - HB    THR   94   3.08 +/- 0.80  94.800% * 99.8423% (0.81 10.00   2.96  28.22) =  99.995%  kept
          QE    LYS+ 111 - HB    THR   94  11.57 +/- 1.86   3.768% *  0.1032% (0.83  1.00   0.02   0.02) =   0.004%
          HB2   CYS   21 - HB    THR   94  16.70 +/- 3.83   1.432% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.08 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  12.73 +/- 2.64 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.05 A violated in 20 structures by 9.68 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 = 24.9:
      O   HN    THR   94 - HB    THR   94   2.69 +/- 0.21  96.950% * 99.8964% (0.83  10.0   3.08  24.92) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.77 +/- 2.50   1.762% *  0.0727% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB    THR   94  12.79 +/- 1.98   1.288% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.803, support = 3.34, residual support = 27.6:
          HN    PHE   45 - HB    THR   94   3.80 +/- 0.69  81.919% * 90.1232% (0.81   3.41  28.22) =  97.638%  kept
          HN    ALA  110 - HB    THR   94   7.64 +/- 1.76  18.081% *  9.8768% (0.67   0.45   0.02) =   2.362%  kept
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   5.00 +/- 0.67 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 9 structures by 1.44 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.37, residual support = 14.9:
          HN    PHE   95 - QG2   THR   94   2.38 +/- 0.44 100.000% *100.0000% (0.97   4.37  14.87) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.649, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.02 +/- 1.37  27.375% * 27.7167% (0.84   0.02   0.02) =  44.177%  kept
          HA    TRP   87 - HA    PHE   95  15.65 +/- 2.58  15.843% * 25.3593% (0.76   0.02   0.02) =  23.393%  kept
          HA    PHE   59 - HA    PHE   95  10.64 +/- 2.08  37.773% *  8.2742% (0.25   0.02   0.02) =  18.197%  kept
          HA    ASP-  86 - HA    PHE   95  17.37 +/- 2.47  10.383% * 12.4539% (0.38   0.02   0.02) =   7.529%  kept
          HA    GLU-  14 - HA    PHE   95  22.67 +/- 3.32   4.919% * 14.8769% (0.45   0.02   0.02) =   4.261%  kept
          HA    ALA   12 - HA    PHE   95  25.93 +/- 3.73   3.708% * 11.3190% (0.34   0.02   0.02) =   2.444%  kept
    Distance limit 3.60 A violated in 20 structures by 5.82 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   2.61 +/- 0.48  98.239% * 99.8140% (0.87   3.44  73.48) =  99.997%  kept
          HN    ALA   47 - HA    PHE   95  11.05 +/- 1.43   1.761% *  0.1860% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.98, residual support = 11.9:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.03  98.089% * 99.9753% (0.80  10.0   3.98  11.94) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95   9.96 +/- 2.18   1.911% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.02 100.000% *100.0000% (0.53  10.0   4.33  73.48) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.40 +/- 0.12  99.029% * 99.9680% (0.87  10.0   3.00  73.48) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.49 +/- 1.53   0.971% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.58 +/- 0.19  98.937% * 99.9680% (0.87  10.0   3.31  73.48) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.42 +/- 1.42   1.063% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.60 +/- 0.07 100.000% *100.0000% (0.53  10.0   4.19  73.48) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.58 +/- 0.20 100.000% *100.0000% (0.53  10.0   3.86  73.48) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.831, support = 1.7, residual support = 41.3:
          QG2   VAL  107 - HB3   PHE   95   4.45 +/- 0.46  61.871% * 90.6582% (0.84   1.71  41.84) =  98.816%  kept
          HG13  ILE  103 - HB3   PHE   95  10.15 +/- 1.58   6.916% *  5.9695% (0.38   0.25   0.02) =   0.727%  kept
          HG2   LYS+ 121 - HB3   PHE   95  11.32 +/- 3.67   9.452% *  1.2411% (0.98   0.02   0.02) =   0.207%  kept
          HG13  ILE  119 - HB3   PHE   95   8.76 +/- 2.31  14.789% *  0.5205% (0.41   0.02   0.02) =   0.136%  kept
          QB    ALA   20 - HB3   PHE   95  14.61 +/- 2.54   4.856% *  1.1355% (0.90   0.02   0.02) =   0.097%
          HB3   LEU   31 - HB3   PHE   95  15.66 +/- 3.05   2.115% *  0.4752% (0.38   0.02   0.02) =   0.018%
    Distance limit 4.02 A violated in 0 structures by 0.39 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.705, support = 1.42, residual support = 4.37:
          QD1   LEU   63 - HB3   PHE   95   6.31 +/- 3.21  36.866% * 35.7633% (0.57   1.71   2.47) =  46.012%  kept
          QD2   LEU  115 - HB3   PHE   95   6.01 +/- 1.71  28.296% * 42.5266% (0.90   1.28   7.60) =  41.995%  kept
          QD1   LEU   73 - HB3   PHE   95   9.70 +/- 3.32  19.458% * 16.6122% (0.57   0.79   0.41) =  11.280%  kept
          QG1   VAL   83 - HB3   PHE   95  13.42 +/- 3.51   4.409% *  2.4279% (0.73   0.09   0.02) =   0.374%  kept
          QG2   ILE   89 - HB3   PHE   95  11.59 +/- 1.94   3.463% *  1.2494% (0.15   0.22   0.02) =   0.151%  kept
          QD1   LEU  104 - HB3   PHE   95   9.57 +/- 1.21   4.828% *  0.7388% (1.00   0.02   0.02) =   0.124%  kept
          QD2   LEU   80 - HB3   PHE   95  14.51 +/- 3.58   2.680% *  0.6820% (0.92   0.02   0.02) =   0.064%
    Distance limit 3.78 A violated in 1 structures by 0.36 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 0.868, residual support = 0.991:
          QG1   VAL   42 - HB3   PHE   95   4.19 +/- 1.45  62.892% * 43.1445% (0.65   0.75   0.93) =  71.166%  kept
          QB    ALA   64 - HB3   PHE   95   7.99 +/- 1.41  19.755% * 54.9474% (0.53   1.17   1.13) =  28.469%  kept
          QB    ALA   47 - HB3   PHE   95  11.77 +/- 1.17   5.432% *  1.3592% (0.76   0.02   0.02) =   0.194%  kept
          HG2   LYS+ 112 - HB3   PHE   95  10.94 +/- 2.05  11.921% *  0.5489% (0.31   0.02   4.03) =   0.172%  kept
    Distance limit 3.80 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.56, residual support = 41.7:
          QG2   VAL  107 - HB2   PHE   95   3.32 +/- 0.45  79.592% * 94.2268% (0.34   3.57  41.84) =  99.736%  kept
          HG13  ILE  119 - HB2   PHE   95   9.50 +/- 2.19   6.034% *  1.3883% (0.90   0.02   0.02) =   0.111%  kept
          HG2   LYS+ 121 - HB2   PHE   95  11.51 +/- 3.71   5.978% *  0.8764% (0.57   0.02   0.02) =   0.070%
          QB    ALA   20 - HB2   PHE   95  15.45 +/- 2.54   1.929% *  1.4290% (0.92   0.02   0.02) =   0.037%
          HB3   LEU   31 - HB2   PHE   95  16.58 +/- 3.17   1.038% *  1.3428% (0.87   0.02   0.02) =   0.019%
          HD3   LYS+ 112 - HB2   PHE   95  11.08 +/- 2.10   3.169% *  0.4304% (0.28   0.02   4.03) =   0.018%
          QG1   VAL   24 - HB2   PHE   95  16.19 +/- 3.57   2.260% *  0.3063% (0.20   0.02   0.02) =   0.009%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.2, residual support = 41.8:
        T HB    VAL  107 - HB2   PHE   95   2.32 +/- 0.73  90.533% * 99.6841% (0.80 10.00   4.20  41.84) =  99.995%  kept
          QE    LYS+ 112 - HB2   PHE   95   9.50 +/- 2.30   4.746% *  0.0467% (0.38  1.00   0.02   4.03) =   0.002%
          HB3   PHE   45 - HB2   PHE   95   8.99 +/- 1.07   3.385% *  0.0467% (0.38  1.00   0.02   1.89) =   0.002%
          QG    GLU-  79 - HB2   PHE   95  16.45 +/- 1.90   0.587% *  0.0855% (0.69  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   PHE   95  19.49 +/- 1.86   0.353% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.00 +/- 0.75   0.396% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.854, support = 0.698, residual support = 0.846:
          QD1   ILE   89 - QG2   THR   94   6.17 +/- 2.18  50.684% * 63.4568% (0.92   0.75   1.05) =  70.896%  kept
          QG2   VAL   83 - QG2   THR   94   7.47 +/- 3.51  36.424% * 36.0861% (0.69   0.57   0.34) =  28.974%  kept
          QD2   LEU   31 - QG2   THR   94  11.72 +/- 2.92  12.892% *  0.4571% (0.25   0.02   0.02) =   0.130%  kept
    Distance limit 3.18 A violated in 9 structures by 2.04 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   3.34 +/- 0.62 100.000% *100.0000% (0.97 10.00   1.06   2.13) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.3:
      O   HN    PHE   97 - HA    MET   96   2.24 +/- 0.07  98.779% * 99.8692% (0.88  10.0   6.07  44.33) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  11.35 +/- 0.90   0.838% *  0.0999% (0.88   1.0   0.02   0.20) =   0.001%
          HN    ASP- 113 - HA    MET   96  14.57 +/- 0.82   0.382% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.4:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.38) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.77, residual support = 7.6:
        T QE    PHE   45 - HB2   MET   96   4.55 +/- 1.78  66.106% * 98.1140% (0.49 10.00   1.78   7.63) =  99.650%  kept
        T HZ    PHE   72 - HB2   MET   96  10.25 +/- 2.50  11.109% *  1.7304% (0.76 10.00   0.02   0.02) =   0.295%  kept
          QD    PHE   72 - HB2   MET   96   8.07 +/- 1.39  22.785% *  0.1555% (0.69  1.00   0.02   0.02) =   0.054%
    Distance limit 3.89 A violated in 3 structures by 0.60 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.3:
          HN    PHE   97 - HB2   MET   96   4.18 +/- 0.33  93.939% * 99.4517% (0.92   6.07  44.33) =  99.986%  kept
          HN    LEU  115 - HB2   MET   96  13.23 +/- 0.75   3.261% *  0.3276% (0.92   0.02   0.20) =   0.011%
          HN    ASN   35 - HB2   MET   96  15.92 +/- 2.42   2.267% *  0.0480% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   MET   96  25.93 +/- 4.80   0.534% *  0.1727% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.22 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   2.64 +/- 0.36 100.000% *100.0000% (0.65  10.0   4.03 115.38) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.777, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.86 +/- 2.59  36.785% * 81.6578% (0.99   0.02   0.02) =  72.149%  kept
          QD    PHE   72 - HB3   MET   96   8.63 +/- 1.48  63.215% * 18.3422% (0.22   0.02   0.02) =  27.851%  kept
    Distance limit 3.74 A violated in 19 structures by 4.43 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   2.76 +/- 0.34 100.000% *100.0000% (0.65  10.0   3.97 115.38) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.732, support = 1.96, residual support = 15.3:
          QG1   VAL   43 - HB2   MET   96   2.92 +/- 0.75  71.960% * 64.6227% (0.73   2.00  15.78) =  96.911%  kept
          QG2   THR   46 - HB2   MET   96   9.33 +/- 1.16   4.077% * 32.5535% (0.98   0.75   0.02) =   2.766%  kept
          QD2   LEU  104 - HB2   MET   96   8.32 +/- 1.75  11.264% *  0.7126% (0.80   0.02   0.02) =   0.167%  kept
          QG1   VAL   41 - HB2   MET   96   7.32 +/- 1.17   8.388% *  0.4682% (0.53   0.02   0.02) =   0.082%
          QG2   VAL   18 - HB2   MET   96  13.49 +/- 4.46   2.467% *  0.8215% (0.92   0.02   0.02) =   0.042%
          QD1   ILE   19 - HB2   MET   96  13.14 +/- 2.95   1.843% *  0.8215% (0.92   0.02   0.02) =   0.032%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96  10.09 +/- 3.76  34.608% * 36.4416% (0.92   0.02   0.02) =  37.625%  kept
          QG2   VAL   83 - HB2   MET   96   9.99 +/- 3.90  34.060% * 36.4416% (0.92   0.02   0.02) =  37.029%  kept
          QD1   ILE   89 - HB2   MET   96  10.39 +/- 2.58  31.331% * 27.1168% (0.69   0.02   0.02) =  25.346%  kept
    Distance limit 4.00 A violated in 16 structures by 3.42 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.671, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96  10.06 +/- 3.33  49.155% * 94.3530% (0.69 10.00   0.02   0.02) =  94.170%  kept
          QG2   VAL   83 - HB3   MET   96   9.97 +/- 4.43  50.845% *  5.6470% (0.41  1.00   0.02   0.02) =   5.830%  kept
    Distance limit 4.00 A violated in 17 structures by 4.27 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.3:
          HN    PHE   97 - HG2   MET   96   4.13 +/- 0.64  87.932% * 99.1283% (0.92   5.59  44.33) =  99.979%  kept
          HN    LEU  115 - HG2   MET   96  14.01 +/- 1.08   2.572% *  0.3545% (0.92   0.02   0.20) =   0.010%
          HN    LEU  115 - HB2   PRO   52  13.62 +/- 3.04   5.094% *  0.1041% (0.27   0.02   0.02) =   0.006%
          HN    ALA   12 - HG2   MET   96  27.32 +/- 5.16   0.634% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HN    PHE   97 - HB2   PRO   52  19.84 +/- 2.73   1.120% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  16.68 +/- 2.41   2.079% *  0.0520% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   PRO   52  34.54 +/- 6.65   0.325% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  31.19 +/- 2.21   0.245% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.99, residual support = 44.3:
          HN    PHE   97 - HG3   MET   96   3.17 +/- 0.34  97.823% * 99.5644% (0.54   5.99  44.33) =  99.994%  kept
          HN    LEU  115 - HG3   MET   96  13.61 +/- 0.91   1.416% *  0.3325% (0.54   0.02   0.20) =   0.005%
          HN    ASP- 113 - HG3   MET   96  16.75 +/- 0.92   0.761% *  0.1031% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.756, support = 1.54, residual support = 4.03:
          QG2   THR   94 - HG2   MET   96   4.87 +/- 0.86  34.544% * 67.8895% (0.99   1.31   3.44) =  68.335%  kept
          HG13  ILE  103 - HG2   MET   96   5.28 +/- 2.69  39.808% * 26.9973% (0.25   2.06   5.34) =  31.316%  kept
          HB3   LEU   71 - HG2   MET   96  13.07 +/- 3.59   4.629% *  0.8398% (0.80   0.02   0.02) =   0.113%  kept
          QG2   THR   94 - HB2   PRO   52  12.39 +/- 2.72   2.601% *  1.2334% (0.29   0.08   0.02) =   0.093%
          HB3   LYS+ 112 - HB2   PRO   52  11.26 +/- 3.37   6.036% *  0.3020% (0.29   0.02   0.02) =   0.053%
          HD2   LYS+ 112 - HB2   PRO   52  11.45 +/- 3.08   3.831% *  0.2672% (0.25   0.02   0.02) =   0.030%
          HD2   LYS+ 112 - HG2   MET   96  17.21 +/- 3.01   0.947% *  0.9098% (0.87   0.02   0.02) =   0.025%
          HB3   LYS+ 112 - HG2   MET   96  17.32 +/- 1.42   0.665% *  1.0280% (0.98   0.02   0.02) =   0.020%
          HG3   LYS+ 111 - HB2   PRO   52  12.67 +/- 4.47   5.396% *  0.0475% (0.05   0.02   0.02) =   0.007%
          HG3   LYS+ 111 - HG2   MET   96  16.02 +/- 1.99   1.024% *  0.1618% (0.15   0.02   0.02) =   0.005%
          HB3   LEU   71 - HB2   PRO   52  24.47 +/- 1.74   0.238% *  0.2467% (0.24   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB2   PRO   52  23.38 +/- 3.06   0.282% *  0.0768% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.847, support = 2.13, residual support = 5.02:
          QG2   ILE  103 - HG2   MET   96   4.82 +/- 1.42  24.779% * 62.3283% (1.00   2.54   5.34) =  65.542%  kept
          QD1   ILE  103 - HG2   MET   96   4.39 +/- 2.54  37.522% * 17.7926% (0.49   1.49   5.34) =  28.331%  kept
          QD2   LEU   40 - HG2   MET   96   9.10 +/- 2.15   7.895% * 17.4666% (0.95   0.75   0.02) =   5.852%  kept
          HB    VAL   75 - HG2   MET   96   9.84 +/- 2.30  10.292% *  0.1842% (0.38   0.02   0.02) =   0.080%
          QD1   LEU   67 - HG2   MET   96  12.09 +/- 2.50   3.539% *  0.4738% (0.97   0.02   0.02) =   0.071%
          QD2   LEU   71 - HG2   MET   96  11.08 +/- 2.53   3.066% *  0.2978% (0.61   0.02   0.02) =   0.039%
          HG3   LYS+  74 - HG2   MET   96  15.46 +/- 1.32   1.588% *  0.4866% (0.99   0.02   0.02) =   0.033%
          QG2   ILE  119 - HG2   MET   96  14.66 +/- 2.32   2.670% *  0.1515% (0.31   0.02   0.02) =   0.017%
          QD1   LEU   67 - HB2   PRO   52  17.01 +/- 2.37   1.083% *  0.1392% (0.28   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HB2   PRO   52  17.70 +/- 3.63   1.009% *  0.1429% (0.29   0.02   0.02) =   0.006%
          QG2   ILE  103 - HB2   PRO   52  18.96 +/- 2.92   0.921% *  0.1439% (0.29   0.02   0.02) =   0.006%
          HB    VAL   75 - HB2   PRO   52  16.73 +/- 3.49   1.821% *  0.0541% (0.11   0.02   0.02) =   0.004%
          QD2   LEU   40 - HB2   PRO   52  20.19 +/- 1.69   0.680% *  0.1364% (0.28   0.02   0.02) =   0.004%
          QG2   ILE  119 - HB2   PRO   52  15.34 +/- 1.87   1.686% *  0.0445% (0.09   0.02   0.02) =   0.003%
          QD1   ILE  103 - HB2   PRO   52  19.30 +/- 2.36   0.881% *  0.0702% (0.14   0.02   0.02) =   0.003%
          QD2   LEU   71 - HB2   PRO   52  20.13 +/- 2.15   0.569% *  0.0875% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 3 structures by 0.53 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.298, support = 0.546, residual support = 0.304:
          HG    LEU   98 - HG3   MET   96   6.51 +/- 2.22  21.189% * 28.0093% (0.25   0.72   0.20) =  63.577%  kept
          QB    LEU   98 - HG3   MET   96   4.89 +/- 1.23  27.326% *  4.9902% (0.14   0.24   0.20) =  14.608%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.01 +/- 1.54   2.438% * 40.3226% (0.59   0.44   0.02) =  10.531%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.37 +/- 1.37  34.426% *  1.8860% (0.61   0.02   2.13) =   6.956%  kept
          HB3   PRO   93 - HG3   MET   96  11.95 +/- 1.08   1.482% * 10.5800% (0.34   0.20   0.02) =   1.680%  kept
          HB3   ASP-  44 - HG3   MET   96   9.76 +/- 0.99   2.642% *  3.1557% (0.12   0.17   0.02) =   0.893%  kept
          HB    VAL   42 - HG3   MET   96   8.29 +/- 1.12   4.803% *  1.6952% (0.54   0.02   0.02) =   0.872%  kept
          HB3   LEU   73 - HG3   MET   96  12.43 +/- 1.99   2.135% *  1.7881% (0.57   0.02   0.02) =   0.409%  kept
          QB    ALA   84 - HG3   MET   96  13.73 +/- 2.33   1.069% *  0.9945% (0.32   0.02   0.02) =   0.114%  kept
          HB2   LYS+ 112 - HG3   MET   96  17.18 +/- 1.33   0.562% *  1.8735% (0.60   0.02   0.02) =   0.113%  kept
          HG3   LYS+  33 - HG3   MET   96  16.53 +/- 2.14   0.639% *  1.5788% (0.51   0.02   0.02) =   0.108%  kept
          HG3   LYS+  65 - HG3   MET   96  18.80 +/- 1.79   0.371% *  1.6952% (0.54   0.02   0.02) =   0.067%
          QB    ALA   12 - HG3   MET   96  22.70 +/- 4.62   0.522% *  0.8474% (0.27   0.02   0.02) =   0.047%
          QB    ALA  124 - HG3   MET   96  19.16 +/- 3.78   0.396% *  0.5834% (0.19   0.02   0.02) =   0.025%
    Distance limit 3.96 A violated in 0 structures by 0.06 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 = 0.447, support = 1.59, residual support = 4.08:
          QG2   THR   94 - HG3   MET   96   5.03 +/- 0.68  40.665% * 63.4731% (0.60  1.00   1.31   3.44) =  65.498%  kept
          HG13  ILE  103 - HG3   MET   96   4.92 +/- 2.39  51.499% * 26.1235% (0.15  1.00   2.14   5.34) =  34.139%  kept
        T HD2   LYS+ 112 - HG3   MET   96  17.03 +/- 2.84   1.149% *  8.5058% (0.53 10.00   0.02   0.02) =   0.248%  kept
          HB3   LEU   71 - HG3   MET   96  13.00 +/- 3.50   4.439% *  0.7852% (0.49  1.00   0.02   0.02) =   0.088%
          HB3   LYS+ 112 - HG3   MET   96  17.12 +/- 1.33   0.869% *  0.9612% (0.59  1.00   0.02   0.02) =   0.021%
          HG3   LYS+ 111 - HG3   MET   96  15.75 +/- 1.96   1.380% *  0.1513% (0.09  1.00   0.02   0.02) =   0.005%
    Distance limit 3.83 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.522, support = 2.25, residual support = 5.12:
          QG2   ILE  103 - HG3   MET   96   4.19 +/- 1.31  33.524% * 64.2348% (0.61   2.58   5.34) =  69.568%  kept
          QD1   ILE  103 - HG3   MET   96   4.06 +/- 2.33  40.664% * 19.9076% (0.30   1.64   5.34) =  26.153%  kept
          QD2   LEU   40 - HG3   MET   96   8.70 +/- 2.21   8.967% * 14.2399% (0.57   0.60   0.02) =   4.125%  kept
          QD1   LEU   67 - HG3   MET   96  12.04 +/- 2.70   3.220% *  0.4808% (0.59   0.02   0.02) =   0.050%
          HB    VAL   75 - HG3   MET   96  10.45 +/- 2.17   6.685% *  0.1870% (0.23   0.02   0.02) =   0.040%
          QD2   LEU   71 - HG3   MET   96  10.97 +/- 2.58   3.160% *  0.3022% (0.37   0.02   0.02) =   0.031%
          HG3   LYS+  74 - HG3   MET   96  15.96 +/- 1.30   1.236% *  0.4938% (0.60   0.02   0.02) =   0.020%
          QG2   ILE  119 - HG3   MET   96  14.26 +/- 2.21   2.544% *  0.1538% (0.19   0.02   0.02) =   0.013%
    Distance limit 3.89 A violated in 3 structures by 0.38 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.35, residual support = 10.6:
      O   HN    LEU   98 - HA    PHE   97   2.22 +/- 0.05 100.000% *100.0000% (0.80  10.0   3.35  10.64) = 100.000%  kept
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.71, residual support = 62.2:
      O   HN    PHE   97 - HA    PHE   97   2.92 +/- 0.02  98.183% * 99.8692% (0.90  10.0   4.71  62.25) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  12.85 +/- 1.00   1.238% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  16.35 +/- 0.89   0.580% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.2:
      O T QD    PHE   97 - HB2   PHE   97   2.52 +/- 0.18  99.161% * 99.9164% (0.45  10.0 10.00   2.44  62.25) =  99.999%  kept
          HZ3   TRP   87 - HB2   PHE   97  17.70 +/- 5.88   0.839% *  0.0836% (0.38   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 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.77, residual support = 59.1:
          HN    ASP- 105 - HB2   PHE   97   2.60 +/- 0.80  99.644% * 99.8980% (0.95   7.77  59.06) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  21.30 +/- 2.85   0.356% *  0.1020% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.2:
      O   HN    PHE   97 - HB2   PHE   97   3.08 +/- 0.55  97.058% * 99.8692% (0.90  10.0   4.81  62.25) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  12.22 +/- 1.33   2.028% *  0.0999% (0.90   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB2   PHE   97  15.70 +/- 1.25   0.914% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.952, support = 3.45, residual support = 49.5:
        T HB3   ASP- 105 - HB2   PHE   97   3.54 +/- 0.77  52.533% * 53.6606% (0.99 10.00   3.79  59.06) =  80.371%  kept
        T QB    LYS+ 106 - HB2   PHE   97   6.12 +/- 1.10  15.169% * 43.3517% (0.80 10.00   2.12  10.99) =  18.748%  kept
          HB    ILE  103 - HB2   PHE   97   6.89 +/- 0.97  11.270% *  1.4377% (1.00  1.00   0.53   2.45) =   0.462%  kept
          HG12  ILE  103 - HB2   PHE   97   6.44 +/- 1.23  11.778% *  1.2186% (0.20  1.00   2.27   2.45) =   0.409%  kept
          HG3   PRO   68 - HB2   PHE   97  15.49 +/- 3.49   2.566% *  0.0540% (1.00  1.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HB2   PHE   97  14.44 +/- 2.14   1.451% *  0.0512% (0.95  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - HB2   PHE   97  15.20 +/- 4.34   1.618% *  0.0223% (0.41  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PHE   97  22.04 +/- 3.49   0.553% *  0.0540% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   PHE   97  16.10 +/- 2.49   1.036% *  0.0203% (0.38  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   PHE   97  21.10 +/- 2.90   0.330% *  0.0452% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.29 +/- 2.24   1.015% *  0.0135% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  22.51 +/- 1.46   0.251% *  0.0486% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.81 +/- 2.74   0.428% *  0.0223% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.306, support = 4.47, residual support = 13.4:
        T HB2   LEU  104 - HB2   PHE   97   3.65 +/- 1.26  37.069% * 77.1681% (0.31 10.00   4.68  15.22) =  86.088%  kept
          QG2   ILE  103 - HB2   PHE   97   4.05 +/- 0.94  29.138% * 11.8779% (0.25  1.00   3.81   2.45) =  10.416%  kept
          QD2   LEU   40 - HB2   PHE   97   6.62 +/- 2.12  13.179% *  7.3230% (0.38  1.00   1.56   1.60) =   2.905%  kept
          QD1   ILE  119 - HB2   PHE   97  11.04 +/- 2.52   5.706% *  3.2159% (0.61  1.00   0.42   1.24) =   0.552%  kept
          QD1   LEU   67 - HB2   PHE   97  11.13 +/- 3.20  10.764% *  0.0853% (0.34  1.00   0.02   0.02) =   0.028%
          HB    VAL   75 - HB2   PHE   97  12.76 +/- 1.65   0.973% *  0.2365% (0.95  1.00   0.02   0.02) =   0.007%
          QG2   VAL  108 - HB2   PHE   97   9.07 +/- 0.88   2.831% *  0.0495% (0.20  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB2   PHE   97  17.18 +/- 2.13   0.340% *  0.0438% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.325, support = 1.91, residual support = 5.56:
        T QD2   LEU   40 - HB3   PHE   97   6.82 +/- 2.24  14.502% * 72.2861% (0.36 10.00   1.25   1.60) =  57.505%  kept
          HB2   LEU  104 - HB3   PHE   97   4.07 +/- 1.50  33.475% * 15.4258% (0.29  1.00   3.25  15.22) =  28.326%  kept
          QG2   ILE  103 - HB3   PHE   97   3.96 +/- 1.03  29.626% *  7.8097% (0.24  1.00   2.04   2.45) =  12.692%  kept
          QD1   ILE  119 - HB3   PHE   97  10.87 +/- 2.67   6.346% *  3.9687% (0.57  1.00   0.43   1.24) =   1.382%  kept
          QD1   LEU   67 - HB3   PHE   97  11.06 +/- 3.38  10.484% *  0.1048% (0.32  1.00   0.02   0.02) =   0.060%
          HB    VAL   75 - HB3   PHE   97  12.50 +/- 1.99   1.375% *  0.2905% (0.89  1.00   0.02   0.02) =   0.022%
          QG2   VAL  108 - HB3   PHE   97   8.73 +/- 0.81   3.635% *  0.0608% (0.19  1.00   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HB3   PHE   97  16.94 +/- 2.26   0.558% *  0.0538% (0.17  1.00   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.2:
      O T QD    PHE   97 - HB3   PHE   97   2.41 +/- 0.15  98.499% * 99.8821% (0.87  10.0 10.00   2.74  62.25) =  99.999%  kept
          HZ3   TRP   87 - HB3   PHE   97  17.47 +/- 6.23   0.923% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB3   PHE   97  22.25 +/- 4.01   0.578% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.58, residual support = 59.1:
          HN    ASP- 105 - HB3   PHE   97   2.73 +/- 0.98  98.881% * 99.0939% (0.46   5.58  59.06) =  99.995%  kept
          HN    ALA   88 - HB3   PHE   97  20.97 +/- 3.15   0.410% *  0.6325% (0.82   0.02   0.02) =   0.003%
          HN    PHE   55 - HB3   PHE   97  19.46 +/- 2.55   0.709% *  0.2737% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.2:
      O   HN    PHE   97 - HB3   PHE   97   2.85 +/- 0.52  97.547% * 99.8692% (0.85  10.0   5.16  62.25) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  11.82 +/- 1.50   1.665% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  15.29 +/- 1.34   0.787% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.755, support = 1.98, residual support = 48.0:
          HB3   ASP- 105 - HB3   PHE   97   3.56 +/- 0.74  60.309% * 47.6281% (0.72  1.00   2.23  59.06) =  77.892%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.85 +/- 0.88  19.342% * 33.3977% (0.93  1.00   1.22  10.99) =  17.517%  kept
          HB    ILE  103 - HB3   PHE   97   6.81 +/- 1.07  11.787% * 14.0283% (0.65  1.00   0.73   2.45) =   4.484%  kept
        T HB3   PRO   58 - HB3   PHE   97  17.42 +/- 2.83   0.703% *  1.2442% (0.21 10.00   0.02   0.02) =   0.024%
          HG3   PRO   68 - HB3   PHE   97  15.49 +/- 3.30   1.589% *  0.3615% (0.61  1.00   0.02   0.02) =   0.016%
          QB    LYS+  33 - HB3   PHE   97  14.69 +/- 1.93   0.995% *  0.4848% (0.82  1.00   0.02   0.02) =   0.013%
          HB    ILE   56 - HB3   PHE   97  15.67 +/- 2.56   0.935% *  0.4848% (0.82  1.00   0.02   0.02) =   0.012%
          HB3   GLN   30 - HB3   PHE   97  14.20 +/- 2.68   1.531% *  0.2940% (0.50  1.00   0.02   0.02) =   0.012%
          HB3   LYS+  38 - HB3   PHE   97  15.59 +/- 2.33   0.977% *  0.4058% (0.69  1.00   0.02   0.02) =   0.011%
          HG2   ARG+  54 - HB3   PHE   97  21.56 +/- 3.83   0.610% *  0.4058% (0.69  1.00   0.02   0.02) =   0.007%
          QB    LYS+  81 - HB3   PHE   97  20.84 +/- 2.85   0.347% *  0.5393% (0.91  1.00   0.02   0.02) =   0.005%
          HB3   GLN   90 - HB3   PHE   97  22.09 +/- 1.46   0.266% *  0.5159% (0.87  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HB3   PHE   97  16.61 +/- 1.12   0.609% *  0.2097% (0.36  1.00   0.02   0.02) =   0.003%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.347, support = 3.74, residual support = 26.7:
          HG12  ILE  103 - HA    LEU   98   4.13 +/- 1.65  44.092% * 53.8171% (0.25   4.91  30.06) =  68.789%  kept
          HB    VAL   41 - HA    LEU   98   5.77 +/- 1.94  30.425% * 24.4226% (0.38   1.48  27.01) =  21.540%  kept
          QB    LYS+ 102 - HA    LEU   98   5.52 +/- 0.48  17.970% * 18.2391% (0.98   0.42   2.15) =   9.502%  kept
          HB2   LEU   71 - HA    LEU   98  11.11 +/- 3.28   4.550% *  0.8771% (1.00   0.02   0.02) =   0.116%  kept
          HB3   GLN   17 - HA    LEU   98  19.59 +/- 3.77   1.021% *  0.5332% (0.61   0.02   0.02) =   0.016%
          QB    LYS+  65 - HA    LEU   98  17.58 +/- 1.92   0.565% *  0.8790% (1.00   0.02   0.02) =   0.014%
          QB    LYS+  66 - HA    LEU   98  16.42 +/- 2.66   0.917% *  0.4977% (0.57   0.02   0.02) =   0.013%
          HG2   PRO   93 - HA    LEU   98  18.42 +/- 0.94   0.460% *  0.7342% (0.84   0.02   0.02) =   0.010%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.675, support = 2.89, residual support = 27.9:
          HA    ILE  103 - HA    LEU   98   2.54 +/- 1.69  69.562% * 69.1567% (0.73   2.89  30.06) =  88.586%  kept
          HA    LEU  104 - HA    LEU   98   4.89 +/- 0.45  23.211% * 26.5992% (0.28   2.91  11.38) =  11.369%  kept
          HA    ASP-  44 - HA    LEU   98  12.00 +/- 1.09   1.419% *  0.5906% (0.90   0.02   0.02) =   0.015%
          HA    THR   39 - HA    LEU   98  11.06 +/- 1.76   3.713% *  0.1831% (0.28   0.02   0.02) =   0.013%
          HB    THR   77 - HA    LEU   98  18.75 +/- 2.00   0.428% *  0.5501% (0.84   0.02   0.02) =   0.004%
          HA    GLU-  14 - HA    LEU   98  22.04 +/- 3.65   0.326% *  0.4260% (0.65   0.02   0.02) =   0.003%
          HA    ASP-  86 - HA    LEU   98  21.45 +/- 4.80   0.278% *  0.4782% (0.73   0.02   0.02) =   0.002%
          HA    MET   11 - HA    LEU   98  27.21 +/- 5.05   0.197% *  0.6079% (0.92   0.02   0.02) =   0.002%
          HA    SER   85 - HA    LEU   98  23.02 +/- 3.32   0.193% *  0.5501% (0.84   0.02   0.02) =   0.002%
          HA    ALA   12 - HA    LEU   98  25.70 +/- 4.64   0.203% *  0.5033% (0.76   0.02   0.02) =   0.002%
          HA    GLU-  79 - HA    LEU   98  21.61 +/- 2.53   0.336% *  0.2246% (0.34   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  26.47 +/- 2.67   0.135% *  0.1303% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.44, residual support = 6.78:
          HN    ASP- 105 - HA    LEU   98   4.61 +/- 0.63  98.419% * 99.8218% (0.95   4.44   6.78) =  99.997%  kept
          HN    ALA   88 - HA    LEU   98  21.56 +/- 3.75   1.581% *  0.1782% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.03 A violated in 1 structures by 0.62 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.38, residual support = 18.6:
      O   HN    LYS+  99 - HA    LEU   98   2.34 +/- 0.09  88.222% * 99.7964% (0.80  10.0   4.38  18.60) =  99.988%  kept
          HE1   HIS  122 - HA    LEU   98  13.32 +/- 5.59  10.583% *  0.0905% (0.73   1.0   0.02   0.02) =   0.011%
          HN    ASN   35 - HA    LEU   98  12.81 +/- 2.23   0.918% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.61 +/- 4.02   0.277% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 11.4:
          HN    LEU  104 - HA    LEU   98   2.99 +/- 1.22  95.254% * 99.6673% (0.92   3.94  11.38) =  99.983%  kept
          HN    PHE   72 - HA    LEU   98  12.20 +/- 1.56   4.746% *  0.3327% (0.61   0.02   0.02) =   0.017%
    Distance limit 3.49 A violated in 2 structures by 0.28 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.98, residual support = 76.3:
      O   HN    LEU   98 - HA    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.98  10.0   4.98  76.30) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.454, support = 3.58, residual support = 27.4:
        T HB    VAL   41 - QB    LEU   98   3.63 +/- 1.86  36.439% * 68.3737% (0.42 10.00   3.61  27.01) =  76.750%  kept
          HG12  ILE  103 - QB    LEU   98   3.07 +/- 1.32  37.570% * 17.4892% (0.56  1.00   3.85  30.06) =  20.241%  kept
          HB    ILE  103 - QB    LEU   98   4.38 +/- 0.44   8.981% *  6.6193% (0.60  1.00   1.37  30.06) =   1.831%  kept
          HB3   ASP- 105 - QB    LEU   98   7.29 +/- 1.68  12.817% *  2.2479% (0.53  1.00   0.53   6.78) =   0.888%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.50 +/- 0.94   2.207% *  3.9923% (0.27 10.00   0.18   0.02) =   0.271%  kept
        T QB    LYS+  33 - QB    LEU   98  11.08 +/- 0.95   0.743% *  0.6837% (0.42 10.00   0.02   0.02) =   0.016%
          HG3   PRO   68 - QB    LEU   98  14.75 +/- 2.57   0.326% *  0.1020% (0.63  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  17.47 +/- 3.85   0.183% *  0.1260% (0.78  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  14.51 +/- 1.82   0.282% *  0.0434% (0.27  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.02 +/- 1.95   0.083% *  0.1260% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  17.81 +/- 3.09   0.180% *  0.0479% (0.30  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.15 +/- 3.20   0.086% *  0.0909% (0.56  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  20.17 +/- 2.31   0.101% *  0.0577% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 4.0, residual support = 18.6:
          HN    LYS+  99 - QB    LEU   98   3.20 +/- 0.31  86.373% * 97.4517% (0.27   4.00  18.60) =  99.902%  kept
          HN    ASN   35 - QB    LEU   98  10.95 +/- 2.08   3.230% *  1.3186% (0.72   0.02   0.02) =   0.051%
          HE1   HIS  122 - QB    LEU   98  12.44 +/- 4.73   8.248% *  0.3936% (0.22   0.02   0.02) =   0.039%
          HN    GLU-  14 - QB    LEU   98  18.78 +/- 4.19   1.545% *  0.2436% (0.13   0.02   0.02) =   0.004%
          HN    ALA   12 - QB    LEU   98  22.59 +/- 4.72   0.604% *  0.5925% (0.33   0.02   0.02) =   0.004%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 3.33, residual support = 27.0:
          HN    VAL   41 - QB    LEU   98   4.73 +/- 1.71 100.000% *100.0000% (0.85   3.33  27.01) = 100.000%  kept
    Distance limit 4.09 A violated in 5 structures by 0.99 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.81, residual support = 76.3:
      O   HN    LEU   98 - QB    LEU   98   2.69 +/- 0.30 100.000% *100.0000% (0.85  10.0   4.81  76.30) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 76.3:
      O   HA    LEU   98 - HG    LEU   98   3.19 +/- 0.57 100.000% *100.0000% (0.69  10.0   4.04  76.30) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.69, residual support = 76.3:
          HN    LEU   98 - HG    LEU   98   3.74 +/- 0.69 100.000% *100.0000% (0.98   3.69  76.30) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.451, support = 3.74, residual support = 22.7:
        T HA    ILE  103 - QD1   LEU   98   2.78 +/- 0.50  77.466% * 24.4917% (0.25 10.00   4.36  30.06) =  60.813%  kept
        T HA    LEU  104 - QD1   LEU   98   5.83 +/- 0.86  16.282% * 75.0635% (0.76 10.00   2.79  11.38) =  39.175%  kept
          HA    ASP-  86 - QD1   LEU   98  16.70 +/- 4.77   1.541% *  0.0980% (1.00  1.00   0.02   0.02) =   0.005%
          HA    ASP-  44 - QD1   LEU   98  10.44 +/- 1.90   2.280% *  0.0404% (0.41  1.00   0.02   0.02) =   0.003%
          HA    GLU-  14 - QD1   LEU   98  18.63 +/- 3.81   0.469% *  0.0980% (1.00  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU   98  21.54 +/- 4.66   0.320% *  0.0974% (0.99  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QD1   LEU   98  15.48 +/- 2.70   0.741% *  0.0335% (0.34  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   LEU   98  18.22 +/- 3.62   0.621% *  0.0335% (0.34  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   LEU   98  22.67 +/- 4.80   0.279% *  0.0440% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD1   LEU   98  12.77 +/- 1.88  28.699% * 33.8723% (0.84   0.02   0.02) =  36.193%  kept
          HD1   TRP   27 - QD1   LEU   98  12.73 +/- 3.58  28.536% * 33.8723% (0.84   0.02   0.02) =  35.988%  kept
          HE21  GLN   30 - QD1   LEU   98  11.84 +/- 2.69  29.342% * 19.7390% (0.49   0.02   0.02) =  21.564%  kept
          HH2   TRP   49 - QD1   LEU   98  19.36 +/- 4.21  13.423% * 12.5164% (0.31   0.02   0.02) =   6.255%  kept
    Distance limit 3.65 A violated in 19 structures by 5.39 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.686, support = 3.29, residual support = 18.4:
        T QD1   LEU  104 - HB2   LYS+  99   3.18 +/- 1.58  72.495% * 98.4796% (0.69 10.00   3.30  18.46) =  99.924%  kept
        T QD1   LEU   63 - HB2   LYS+  99  11.67 +/- 2.35  13.088% *  0.2212% (0.15 10.00   0.02   0.02) =   0.041%
        T QD1   LEU   73 - HB2   LYS+  99  12.36 +/- 2.12   5.810% *  0.2212% (0.15 10.00   0.02   0.02) =   0.018%
        T QG2   ILE   89 - HB2   LYS+  99  18.98 +/- 2.62   0.803% *  0.8117% (0.57 10.00   0.02   0.02) =   0.009%
          QG1   VAL   83 - HB2   LYS+  99  18.22 +/- 4.84   1.795% *  0.1430% (1.00  1.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   LYS+  99  14.29 +/- 2.21   4.198% *  0.0589% (0.41  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   LYS+  99  18.97 +/- 5.16   1.812% *  0.0643% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 1 structures by 0.35 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.03, residual support = 6.99:
        T QD2   LEU   40 - HB2   LYS+  99   5.69 +/- 3.10  39.825% * 91.2617% (0.95 10.00   2.07   7.33) =  94.903%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.43 +/- 1.35  25.468% *  6.7853% (1.00  1.00   1.41   0.71) =   4.512%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.32 +/- 1.31  12.635% *  1.6398% (0.49  1.00   0.70   0.71) =   0.541%  kept
          QD1   LEU   67 - HB2   LYS+  99  12.15 +/- 3.89  12.621% *  0.0931% (0.97  1.00   0.02   0.02) =   0.031%
          QD2   LEU   71 - HB2   LYS+  99   9.54 +/- 2.82   6.596% *  0.0585% (0.61  1.00   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HB2   LYS+  99  19.57 +/- 2.65   0.516% *  0.0956% (0.99  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  14.30 +/- 3.16   1.385% *  0.0298% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  99  15.67 +/- 2.11   0.955% *  0.0362% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 1 structures by 0.38 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.82, residual support = 173.1:
      O   HN    LYS+  99 - HB2   LYS+  99   3.19 +/- 0.33  87.698% * 99.4797% (0.31  10.0   4.82 173.11) =  99.978%  kept
          HN    ASN   35 - HB2   LYS+  99  10.95 +/- 2.70   5.036% *  0.2692% (0.84   1.0   0.02   0.02) =   0.016%
          HE1   HIS  122 - HB2   LYS+  99  13.21 +/- 5.54   6.436% *  0.0804% (0.25   1.0   0.02   0.02) =   0.006%
          HN    ALA   12 - HB2   LYS+  99  24.61 +/- 4.36   0.335% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  20.30 +/- 3.63   0.495% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.24, residual support = 173.1:
      O   HN    LYS+  99 - HA    LYS+  99   2.90 +/- 0.03  91.747% * 99.7964% (0.80  10.0   5.25 173.11) =  99.994%  kept
          HE1   HIS  122 - HA    LYS+  99  13.92 +/- 5.65   3.509% *  0.0905% (0.73   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HA    LYS+  99   9.64 +/- 2.21   4.251% *  0.0425% (0.34   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  99  19.74 +/- 3.77   0.492% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.82, residual support = 39.8:
      O   HN    GLU- 100 - HA    LYS+  99   2.24 +/- 0.06 100.000% *100.0000% (0.84  10.0   6.82  39.84) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.833, support = 5.17, residual support = 183.2:
      O   QE    LYS+  99 - HG2   LYS+  99   2.68 +/- 0.49  41.972% * 78.4766% (0.99  10.0   5.34 173.11) =  78.346%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.56 +/- 0.47  44.351% * 20.4122% (0.26  10.0   4.58 220.94) =  21.533%  kept
          QE    LYS+  38 - HG2   LYS+  99   9.62 +/- 2.83   5.117% *  0.9407% (0.95   1.0   0.25   0.02) =   0.114%  kept
          QE    LYS+ 102 - HG2   LYS+  99   9.09 +/- 1.19   1.492% *  0.0605% (0.76   1.0   0.02   1.54) =   0.002%
          QE    LYS+  99 - HG2   LYS+  38   8.87 +/- 3.16   2.663% *  0.0214% (0.27   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  15.45 +/- 4.09   1.423% *  0.0297% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   8.97 +/- 0.74   1.144% *  0.0270% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  38  14.77 +/- 3.46   1.377% *  0.0165% (0.21   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  38  15.73 +/- 2.45   0.239% *  0.0081% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.78 +/- 2.17   0.222% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.834, support = 7.06, residual support = 172.9:
      O T HA    LYS+  99 - HG2   LYS+  99   2.92 +/- 0.42  49.498% * 98.4027% (0.84  10.0 10.00   7.07 173.11) =  99.892%  kept
          HA    LEU   40 - HG2   LYS+  99   7.66 +/- 2.69   4.872% *  0.6277% (0.57   1.0  1.00   0.19   7.33) =   0.063%
          HA    ASN   35 - HG2   LYS+  38   4.01 +/- 1.64  34.450% *  0.0304% (0.26   1.0  1.00   0.02   0.02) =   0.021%
        T HA    LYS+  99 - HG2   LYS+  38  10.10 +/- 2.16   1.920% *  0.2682% (0.23   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASN   35 - HG2   LYS+  99   9.42 +/- 3.25   4.253% *  0.1114% (0.95   1.0  1.00   0.02   0.02) =   0.010%
          HA    LEU  123 - HG2   LYS+  99  18.37 +/- 6.51   0.437% *  0.1175% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   LYS+  38   8.33 +/- 0.51   2.213% *  0.0182% (0.15   1.0  1.00   0.02   0.99) =   0.001%
          HA    LEU  123 - HG2   LYS+  38  20.27 +/- 8.59   0.564% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.56 +/- 2.33   0.097% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  18.45 +/- 3.04   0.219% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.59 +/- 4.34   0.189% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.33 +/- 2.08   0.110% *  0.0573% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  15.72 +/- 3.76   0.522% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.41 +/- 2.13   0.108% *  0.0484% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  17.93 +/- 4.02   0.289% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.76 +/- 2.52   0.072% *  0.0310% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  25.32 +/- 3.65   0.115% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  28.04 +/- 3.76   0.071% *  0.0156% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0948, support = 4.87, residual support = 19.0:
          HA    SER   37 - HA    LYS+  38   5.20 +/- 0.07  31.586% * 42.7483% (0.05  1.00   5.52  21.57) =  87.710%  kept
          HA    LEU   40 - HA    LYS+  38   6.42 +/- 0.45  17.871% *  4.7639% (0.05  1.00   0.59   0.99) =   5.530%  kept
          HA    SER   37 - HA    GLU- 100   9.74 +/- 3.46  15.572% *  2.5638% (0.76  1.00   0.02   0.02) =   2.593%  kept
          HA    LEU   40 - HA    GLU- 100   8.26 +/- 2.41  14.579% *  2.6863% (0.80  1.00   0.02   0.02) =   2.544%  kept
        T HA    PRO   58 - HA    GLU- 100  25.77 +/- 1.85   0.263% * 30.9683% (0.92 10.00   0.02   0.02) =   0.529%  kept
          HA    SER   13 - HA    GLU- 100  22.00 +/- 4.91   1.426% *  3.1735% (0.95  1.00   0.02   0.02) =   0.294%  kept
          HA    GLN   17 - HA    GLU- 100  19.74 +/- 4.69   1.431% *  2.5638% (0.76  1.00   0.02   0.02) =   0.238%  kept
          HA    GLU-  15 - HA    GLU- 100  19.35 +/- 3.64   0.838% *  3.1735% (0.95  1.00   0.02   0.02) =   0.173%  kept
          HA    VAL   42 - HA    GLU- 100  11.96 +/- 1.53   2.842% *  0.7469% (0.22  1.00   0.02   0.02) =   0.138%  kept
          HA    THR   46 - HA    GLU- 100  24.00 +/- 2.06   0.344% *  2.8021% (0.84  1.00   0.02   0.02) =   0.063%
        T HA    PRO   58 - HA    LYS+  38  23.64 +/- 3.21   0.465% *  1.8713% (0.06 10.00   0.02   0.02) =   0.057%
          HA    LEU  123 - HA    GLU- 100  21.63 +/- 6.32   0.766% *  0.6639% (0.20  1.00   0.02   0.02) =   0.033%
          HA    GLU-  15 - HA    LYS+  38  14.43 +/- 3.27   2.571% *  0.1918% (0.06  1.00   0.02   0.02) =   0.032%
          HA    GLN   17 - HA    LYS+  38  15.72 +/- 4.09   2.348% *  0.1549% (0.05  1.00   0.02   0.02) =   0.024%
          HA    SER   13 - HA    LYS+  38  16.79 +/- 3.32   1.447% *  0.1918% (0.06  1.00   0.02   0.02) =   0.018%
          HA    ILE   56 - HA    GLU- 100  26.76 +/- 2.28   0.241% *  0.4540% (0.14  1.00   0.02   0.02) =   0.007%
          HA    VAL   42 - HA    LYS+  38  12.47 +/- 0.70   2.401% *  0.0451% (0.01  1.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HA    LYS+  38  18.89 +/- 7.87   2.404% *  0.0401% (0.01  1.00   0.02   0.02) =   0.006%
          HA    THR   46 - HA    LYS+  38  24.31 +/- 0.97   0.310% *  0.1693% (0.05  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HA    LYS+  38  25.92 +/- 2.27   0.292% *  0.0274% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.95 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   3.08 +/- 0.52  95.606% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38  10.34 +/- 2.17   4.394% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.09 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   2.29 +/- 0.13  95.899% * 99.9940% (0.84  10.0   6.38  75.74) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   8.01 +/- 1.96   4.101% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.809, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  11.84 +/- 2.78  12.057% * 28.3278% (1.00 10.00   0.02   0.02) =  36.984%  kept
        T HA    GLU-  29 - HB2   GLU- 100  15.06 +/- 3.52   8.736% * 27.8286% (0.98 10.00   0.02   0.02) =  26.323%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.75 +/- 3.56  22.789% *  8.7627% (0.31 10.00   0.02   0.02) =  21.623%  kept
        T HA    GLN  116 - HB2   GLU- 100  22.91 +/- 2.35   2.877% * 23.7140% (0.84 10.00   0.02   0.02) =   7.386%  kept
          HA    VAL   70 - HB2   GLU- 100  13.93 +/- 3.07  13.234% *  2.3714% (0.84  1.00   0.02   0.02) =   3.398%  kept
          HB2   SER   37 - HB2   GLU- 100   9.58 +/- 3.74  29.457% *  0.5618% (0.20  1.00   0.02   0.02) =   1.792%  kept
          HA    VAL   18 - HB2   GLU- 100  19.12 +/- 3.24   5.125% *  2.7399% (0.97  1.00   0.02   0.02) =   1.521%  kept
          HB2   SER   82 - HB2   GLU- 100  27.70 +/- 6.16   1.922% *  2.6208% (0.92  1.00   0.02   0.02) =   0.545%  kept
          HA    SER   48 - HB2   GLU- 100  28.73 +/- 3.24   1.304% *  1.6074% (0.57  1.00   0.02   0.02) =   0.227%  kept
          HA    ALA   88 - HB2   GLU- 100  29.35 +/- 4.00   1.290% *  0.9684% (0.34  1.00   0.02   0.02) =   0.135%  kept
          HD2   PRO   52 - HB2   GLU- 100  31.02 +/- 2.37   1.210% *  0.4972% (0.18  1.00   0.02   0.02) =   0.065%
    Distance limit 3.48 A violated in 16 structures by 3.71 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 = 39.8:
          HG2   LYS+  99 - HG2   GLU- 100   3.13 +/- 0.71  72.660% * 97.4968% (0.45   5.28  39.84) =  99.850%  kept
          HG2   LYS+  38 - HG2   GLU- 100   9.09 +/- 3.05  19.607% *  0.4664% (0.57   0.02   0.02) =   0.129%  kept
          HB2   LEU   31 - HG2   GLU- 100  11.73 +/- 3.04   6.051% *  0.1443% (0.18   0.02   0.02) =   0.012%
          QG2   THR   77 - HG2   GLU- 100  19.54 +/- 1.71   0.390% *  0.8074% (0.98   0.02   0.02) =   0.004%
          QB    ALA   88 - HG2   GLU- 100  24.66 +/- 3.50   0.228% *  0.7387% (0.90   0.02   0.02) =   0.002%
          QG2   THR   23 - HG2   GLU- 100  18.91 +/- 3.55   0.898% *  0.1630% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG2   GLU- 100  25.75 +/- 1.88   0.167% *  0.1834% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.09, residual support = 39.8:
          HG2   LYS+  99 - HG3   GLU- 100   2.97 +/- 1.01  72.188% * 96.8016% (0.45   4.10  39.84) =  99.787%  kept
          HG2   LYS+  38 - HG3   GLU- 100   9.49 +/- 3.31  22.637% *  0.5959% (0.57   0.02   0.02) =   0.193%  kept
          HB2   LEU   31 - HG3   GLU- 100  11.99 +/- 2.97   3.506% *  0.1843% (0.18   0.02   0.02) =   0.009%
          QG2   THR   77 - HG3   GLU- 100  19.63 +/- 1.85   0.394% *  1.0317% (0.98   0.02   0.02) =   0.006%
          QG2   THR   23 - HG3   GLU- 100  19.00 +/- 3.80   0.969% *  0.2083% (0.20   0.02   0.02) =   0.003%
          QB    ALA   88 - HG3   GLU- 100  24.81 +/- 3.37   0.170% *  0.9439% (0.90   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG3   GLU- 100  25.68 +/- 1.63   0.137% *  0.2343% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.07 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   3.53 +/- 0.46  81.219% * 99.7364% (1.00  10.0   4.46  75.74) =  99.995%  kept
          HA    LYS+  38 - HG3   GLU- 100   8.75 +/- 2.86  17.985% *  0.0198% (0.20   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HG3   GLU- 100  25.81 +/- 5.36   0.304% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  26.37 +/- 2.38   0.244% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.89 +/- 2.63   0.247% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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   3.34 +/- 0.46 100.000% *100.0000% (0.97   4.30  75.74) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.49, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   2.96 +/- 0.75 100.000% *100.0000% (0.84   6.49  75.74) = 100.000%  kept
    Distance limit 4.25 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 = 4.81, residual support = 158.6:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.65 +/- 0.22  81.259% * 99.6342% (1.00  10.0   4.81 158.66) =  99.988%  kept
          HN    THR   39 - QB    LYS+ 102  12.10 +/- 2.87   8.632% *  0.0606% (0.61   1.0   0.02   0.02) =   0.006%
          HN    LYS+ 102 - HB    VAL   41   8.95 +/- 1.84   3.485% *  0.0448% (0.45   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - QB    LYS+ 102  13.59 +/- 2.60   1.201% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB    VAL   41   8.17 +/- 0.86   3.068% *  0.0272% (0.27   1.0   0.02   0.36) =   0.001%
          HN    GLU-  36 - HB    VAL   41  11.42 +/- 1.88   1.258% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    VAL   41  17.77 +/- 4.15   0.779% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  19.41 +/- 4.49   0.318% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 23.5:
          HN    ILE  103 - QB    LYS+ 102   2.99 +/- 0.39  91.503% * 98.9442% (1.00   5.45  23.51) =  99.985%  kept
          HN    ILE  103 - HB    VAL   41   8.25 +/- 2.06   5.930% *  0.1633% (0.45   0.02   0.02) =   0.011%
          HN    GLN   90 - QB    LYS+ 102  22.55 +/- 2.84   0.290% *  0.3437% (0.95   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.58 +/- 0.99   0.495% *  0.1912% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  20.96 +/- 2.82   0.379% *  0.1544% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  17.42 +/- 1.66   0.563% *  0.0859% (0.24   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  22.72 +/- 4.59   0.352% *  0.0809% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  20.21 +/- 4.01   0.488% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.56, residual support = 158.2:
          HN    LYS+ 102 - HG2   LYS+ 102   3.52 +/- 0.46  89.473% * 95.8334% (0.73   4.57 158.66) =  99.716%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.53 +/- 1.17   6.509% *  3.6473% (0.38   0.34   0.02) =   0.276%  kept
          HN    GLU-  36 - HG2   LYS+ 102  15.46 +/- 3.01   1.427% *  0.3038% (0.53   0.02   0.02) =   0.005%
          HN    THR   39 - HG2   LYS+ 102  14.12 +/- 3.10   1.938% *  0.1011% (0.18   0.02   0.02) =   0.002%
          HD1   TRP   87 - HG2   LYS+ 102  22.75 +/- 5.29   0.652% *  0.1143% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.601, support = 0.02, residual support = 0.02:
        T QB    SER  117 - HA    ILE  103  13.65 +/- 3.14   8.949% *  7.5887% (0.34 10.00   0.02   0.02) =  19.227%  kept
        T QB    SER   48 - HA    ILE  103  20.83 +/- 2.94   3.451% * 19.2979% (0.87 10.00   0.02   0.02) =  18.854%  kept
        T QB    SER   85 - HA    ILE  103  20.88 +/- 3.48   2.493% * 19.9520% (0.90 10.00   0.02   0.02) =  14.082%  kept
        T HA2   GLY   51 - HA    ILE  103  26.61 +/- 3.19   1.935% * 13.4936% (0.61 10.00   0.02   0.02) =   7.393%  kept
        T QB    SER   48 - HA    THR   39  22.32 +/- 3.42   2.993% *  6.3756% (0.29 10.00   0.02   0.02) =   5.401%  kept
          HA    LYS+ 121 - HA    ILE  103  14.48 +/- 5.93  11.783% *  1.5282% (0.69  1.00   0.02   0.02) =   5.098%  kept
          HB    THR   94 - HA    ILE  103  13.42 +/- 1.21   9.522% *  1.7002% (0.76  1.00   0.02   0.02) =   4.583%  kept
        T HD2   PRO   52 - HA    ILE  103  24.16 +/- 2.95   2.508% *  5.5474% (0.25 10.00   0.02   0.02) =   3.939%  kept
          HA2   GLY   16 - HA    ILE  103  20.47 +/- 5.27   6.113% *  1.9952% (0.90  1.00   0.02   0.02) =   3.453%  kept
          HA    ALA  120 - HA    ILE  103  17.43 +/- 4.82   4.793% *  2.2050% (0.99  1.00   0.02   0.02) =   2.992%  kept
          HA2   GLY   16 - HA    THR   39  14.44 +/- 6.97  15.814% *  0.6592% (0.30  1.00   0.02   0.02) =   2.951%  kept
        T QB    SER   85 - HA    THR   39  24.86 +/- 2.58   1.433% *  6.5917% (0.30 10.00   0.02   0.02) =   2.674%  kept
        T QB    SER  117 - HA    THR   39  18.76 +/- 3.35   3.622% *  2.5072% (0.11 10.00   0.02   0.02) =   2.571%  kept
          HA    LYS+  65 - HA    ILE  103  20.03 +/- 2.07   2.947% *  1.8582% (0.84  1.00   0.02   0.02) =   1.550%  kept
        T HA2   GLY   51 - HA    THR   39  28.84 +/- 2.84   1.085% *  4.4580% (0.20 10.00   0.02   0.02) =   1.369%  kept
          HA    LYS+  65 - HA    THR   39  16.18 +/- 1.77   5.506% *  0.6139% (0.28  1.00   0.02   0.02) =   0.957%  kept
          HA    ALA  120 - HA    THR   39  18.76 +/- 5.77   4.562% *  0.7285% (0.33  1.00   0.02   0.02) =   0.941%  kept
          HA    LYS+ 121 - HA    THR   39  17.20 +/- 6.07   6.443% *  0.5049% (0.23  1.00   0.02   0.02) =   0.921%  kept
        T HD2   PRO   52 - HA    THR   39  27.19 +/- 1.41   1.111% *  1.8327% (0.08 10.00   0.02   0.02) =   0.577%  kept
          HB    THR   94 - HA    THR   39  19.41 +/- 1.20   2.937% *  0.5617% (0.25  1.00   0.02   0.02) =   0.467%  kept
    Distance limit 3.21 A violated in 20 structures by 5.20 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.58, residual support = 37.4:
      O   HN    LEU  104 - HA    ILE  103   2.36 +/- 0.16  96.448% * 99.8797% (0.92  10.0   6.58  37.42) =  99.999%  kept
          HN    PHE   72 - HA    THR   39   9.43 +/- 1.48   1.946% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  13.49 +/- 1.62   0.573% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.78 +/- 1.83   1.034% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.35, support = 3.92, residual support = 37.1:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.04  74.257% * 71.0681% (0.33  10.0   3.92  38.12) =  93.011%  kept
          HN    LYS+ 102 - HA    ILE  103   5.07 +/- 0.30  14.177% * 27.8989% (0.65   1.0   3.97  23.51) =   6.971%  kept
          HN    THR   39 - HA    ILE  103  12.44 +/- 1.87   1.297% *  0.2151% (0.99   1.0   0.02   0.02) =   0.005%
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.66   3.668% *  0.0599% (0.28   1.0   0.02   1.05) =   0.004%
          HN    LYS+ 102 - HA    THR   39  12.23 +/- 2.72   3.075% *  0.0464% (0.21   1.0   0.02   0.02) =   0.003%
          HD1   TRP   87 - HA    ILE  103  18.70 +/- 5.06   0.557% *  0.2165% (1.00   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    ILE  103  14.92 +/- 1.84   0.637% *  0.1813% (0.84   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ILE  103  17.54 +/- 3.83   0.673% *  0.1056% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    THR   39  15.63 +/- 1.37   0.514% *  0.0349% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.44 +/- 4.02   0.186% *  0.0715% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.48 +/- 1.81   0.320% *  0.0335% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  21.27 +/- 2.65   0.218% *  0.0430% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.63 +/- 1.77   0.310% *  0.0111% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.31 +/- 2.51   0.110% *  0.0142% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.36, residual support = 30.1:
        T QD1   LEU   98 - HA    ILE  103   2.78 +/- 0.50  82.123% * 99.6453% (0.41 10.00   4.36  30.06) =  99.989%  kept
          QD1   LEU   98 - HA    THR   39   9.40 +/- 2.37  13.870% *  0.0329% (0.14  1.00   0.02   0.02) =   0.006%
          QG2   ILE   19 - HA    THR   39  12.05 +/- 3.07   3.260% *  0.0799% (0.33  1.00   0.02   0.02) =   0.003%
          QG2   ILE   19 - HA    ILE  103  15.45 +/- 2.40   0.747% *  0.2418% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 3.30 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.461, support = 2.72, residual support = 8.17:
          HN    ASP- 105 - QG2   ILE  103   2.73 +/- 0.59  79.939% * 28.2917% (0.38   2.53   3.18) =  75.406%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.17 +/- 0.39  10.343% * 71.1736% (0.73   3.30  23.51) =  24.545%  kept
          HN    GLU-  36 - QG2   ILE  103  14.20 +/- 2.21   2.119% *  0.3129% (0.53   0.02   0.02) =   0.022%
          HN    THR   39 - QG2   ILE  103  12.12 +/- 2.30   6.053% *  0.1042% (0.18   0.02   0.02) =   0.021%
          HD1   TRP   87 - QG2   ILE  103  14.59 +/- 4.00   1.547% *  0.1177% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.60 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 = 37.4:
          HN    LEU  104 - QG2   ILE  103   2.59 +/- 0.77  97.652% * 99.9407% (0.90   6.58  37.42) =  99.999%  kept
          HN    PHE   72 - QG2   ILE  103  11.74 +/- 1.84   2.348% *  0.0593% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 138.5:
      O   HN    ILE  103 - HB    ILE  103   2.36 +/- 0.27  99.224% * 99.8308% (1.00  10.0   6.72 138.50) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  15.37 +/- 1.15   0.388% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  21.02 +/- 3.39   0.177% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  22.20 +/- 4.80   0.211% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.218, support = 5.93, residual support = 133.9:
      O T HA    ILE  103 - HG12  ILE  103   2.42 +/- 0.48  90.853% * 56.2748% (0.20  10.0 10.00   5.98 138.50) =  95.438%  kept
          HA    LEU  104 - HG12  ILE  103   6.43 +/- 0.33   5.711% * 42.7032% (0.61   1.0  1.00   4.95  37.42) =   4.553%  kept
          HA    ASP-  86 - HG12  ILE  103  19.63 +/- 5.42   0.651% *  0.2252% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP-  44 - HG12  ILE  103  11.78 +/- 1.92   1.326% *  0.0928% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - HG12  ILE  103  23.36 +/- 5.38   0.451% *  0.2252% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   12 - HG12  ILE  103  26.78 +/- 6.42   0.253% *  0.2237% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HG12  ILE  103  18.12 +/- 2.91   0.319% *  0.0770% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  21.25 +/- 3.97   0.274% *  0.0770% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  28.10 +/- 6.62   0.161% *  0.1012% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.89, residual support = 138.5:
          HN    ILE  103 - HG12  ILE  103   3.06 +/- 0.55  97.593% * 99.5103% (0.80   6.89 138.50) =  99.996%  kept
          HN    GLN   90 - HG12  ILE  103  20.49 +/- 3.68   0.630% *  0.2734% (0.76   0.02   0.02) =   0.002%
          HN    GLY  109 - HG12  ILE  103  15.33 +/- 1.57   1.104% *  0.1520% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  21.22 +/- 4.84   0.673% *  0.0643% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.5:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  97.956% * 99.2748% (0.58  10.0 10.00   4.30 138.50) =  99.997%  kept
        T HB3   LEU   71 - HG12  ILE  103  13.36 +/- 3.36   0.430% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HG12  ILE  103   8.96 +/- 1.64   0.968% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.87 +/- 1.46   0.497% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  20.31 +/- 1.58   0.067% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  20.35 +/- 3.04   0.081% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.579, support = 5.01, residual support = 138.5:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  64.685% * 32.5765% (0.39  10.0 10.00   4.61 138.50) =  53.688%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.92 +/- 0.25  27.209% * 66.7776% (0.80  10.0 10.00   5.47 138.50) =  46.293%  kept
          QD2   LEU   40 - HG12  ILE  103   8.07 +/- 2.56   5.874% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.009%
        T QD2   LEU   71 - HG12  ILE  103  11.30 +/- 2.25   0.730% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          QD1   LEU   67 - HG12  ILE  103  13.30 +/- 3.26   0.790% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG12  ILE  103  13.98 +/- 2.70   0.310% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.86 +/- 2.17   0.109% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.42 +/- 3.40   0.293% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.88, residual support = 30.1:
          QD1   LEU   98 - HG12  ILE  103   2.74 +/- 0.82  98.821% * 99.7553% (0.72   5.88  30.06) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  15.62 +/- 2.94   1.179% *  0.2447% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.753, support = 4.07, residual support = 138.5:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  58.966% * 82.5087% (0.84  10.0   3.97 138.50) =  87.546%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.57 +/- 0.45  40.003% * 17.2996% (0.18  10.0   4.82 138.50) =  12.453%  kept
          QD2   LEU   71 - HG13  ILE  103  11.54 +/- 2.32   0.626% *  0.0717% (0.73   1.0   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG13  ILE  103  15.41 +/- 3.34   0.302% *  0.0953% (0.97   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  103  18.57 +/- 1.91   0.102% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.56, residual support = 30.1:
          QD1   LEU   98 - HG13  ILE  103   3.05 +/- 0.62  98.573% * 99.4389% (0.90   2.56  30.06) =  99.992%  kept
          QG2   ILE   19 - HG13  ILE  103  15.63 +/- 2.83   1.427% *  0.5611% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  13.31 +/- 2.80  25.437% * 30.1124% (0.77   0.02   0.02) =  32.984%  kept
          QD    PHE   59 - QD1   ILE  103  12.14 +/- 2.46  33.272% * 17.5479% (0.45   0.02   0.02) =  25.142%  kept
          HH2   TRP   49 - QD1   ILE  103  18.20 +/- 4.24  14.371% * 34.7918% (0.89   0.02   0.02) =  21.531%  kept
          HD1   TRP   27 - QD1   ILE  103  13.77 +/- 3.71  26.920% * 17.5479% (0.45   0.02   0.02) =  20.342%  kept
    Distance limit 4.12 A violated in 19 structures by 5.20 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.602, support = 0.02, residual support = 0.02:
          HE3   TRP   87 - QD1   ILE  103  12.86 +/- 6.24  28.100% * 16.9137% (0.52   0.02   0.02) =  27.393%  kept
          HD21  ASN   69 - QD1   ILE  103  13.68 +/- 2.66  22.477% * 20.5212% (0.63   0.02   0.02) =  26.584%  kept
          HN    GLN   17 - QD1   ILE  103  17.29 +/- 4.23  13.088% * 25.9142% (0.80   0.02   0.02) =  19.548%  kept
          HN    TRP   87 - QD1   ILE  103  14.59 +/- 4.60  13.069% * 21.6935% (0.67   0.02   0.02) =  16.340%  kept
          HN    ALA   61 - QD1   ILE  103  15.38 +/- 1.89  12.739% *  8.3063% (0.26   0.02   0.02) =   6.098%  kept
          HN    ALA   91 - QD1   ILE  103  15.85 +/- 2.82  10.527% *  6.6512% (0.21   0.02   0.02) =   4.035%  kept
    Distance limit 3.76 A violated in 17 structures by 4.85 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.67, residual support = 138.5:
          HN    ILE  103 - QD1   ILE  103   3.28 +/- 0.87  92.550% * 99.4054% (0.92   5.67 138.50) =  99.985%  kept
          HN    GLY  109 - QD1   ILE  103  12.04 +/- 1.81   3.671% *  0.1846% (0.49   0.02   0.02) =   0.007%
          HN    GLN   90 - QD1   ILE  103  16.19 +/- 3.34   1.730% *  0.3319% (0.87   0.02   0.02) =   0.006%
          HN    SER   82 - QD1   ILE  103  17.12 +/- 4.33   2.049% *  0.0781% (0.21   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 5.39, residual support = 137.7:
      O   HA    ILE  103 - HG13  ILE  103   3.11 +/- 0.33  81.229% * 92.0222% (0.73  10.0   5.40 138.50) =  99.174%  kept
          HA    LEU  104 - HG13  ILE  103   6.77 +/- 0.30   8.592% *  7.1611% (0.28   1.0   4.06  37.42) =   0.816%  kept
          HA    ASP-  44 - HG13  ILE  103  11.37 +/- 1.50   2.338% *  0.1137% (0.90   1.0   0.02   0.02) =   0.004%
          HA    THR   39 - HG13  ILE  103  13.30 +/- 2.95   4.203% *  0.0352% (0.28   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HG13  ILE  103  18.86 +/- 5.35   0.828% *  0.0920% (0.73   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HG13  ILE  103  17.56 +/- 2.94   0.621% *  0.1059% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG13  ILE  103  23.51 +/- 5.25   0.551% *  0.0820% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HG13  ILE  103  20.48 +/- 3.94   0.412% *  0.1059% (0.84   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HG13  ILE  103  26.93 +/- 6.35   0.324% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  28.25 +/- 6.65   0.244% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  20.65 +/- 2.96   0.344% *  0.0432% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  25.66 +/- 3.34   0.314% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 138.5:
          HN    ILE  103 - HG13  ILE  103   3.54 +/- 0.60  96.292% * 99.4576% (1.00   6.21 138.50) =  99.993%  kept
          HN    GLY  109 - HG13  ILE  103  14.68 +/- 1.74   1.883% *  0.1684% (0.53   0.02   0.02) =   0.003%
          HN    GLN   90 - HG13  ILE  103  19.70 +/- 3.59   0.967% *  0.3028% (0.95   0.02   0.02) =   0.003%
          HN    SER   82 - HG13  ILE  103  20.56 +/- 4.93   0.859% *  0.0713% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.47, residual support = 138.5:
          HN    ILE  103 - QG2   ILE  103   3.67 +/- 0.15  93.094% * 99.2520% (0.69   6.47 138.50) =  99.979%  kept
          HN    GLY  109 - QG2   ILE  103  11.31 +/- 1.00   3.380% *  0.4311% (0.97   0.02   0.02) =   0.016%
          HN    GLN   90 - QG2   ILE  103  16.73 +/- 2.54   1.253% *  0.2174% (0.49   0.02   0.02) =   0.003%
          HE1   HIS   22 - QG2   ILE  103  19.00 +/- 4.25   2.273% *  0.0994% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.5:
          HA    LYS+ 102 - HB    ILE  103   4.51 +/- 0.19  94.841% * 98.7652% (0.38   4.78  23.51) =  99.976%  kept
          HA    ALA   20 - HB    ILE  103  20.07 +/- 3.00   1.432% *  1.0168% (0.92   0.02   0.02) =   0.016%
          HA    LEU   71 - HB    ILE  103  15.06 +/- 2.87   3.727% *  0.2180% (0.20   0.02   0.02) =   0.009%
    Distance limit 4.20 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.6, residual support = 14.9:
        T HB2   PHE   97 - HB2   LEU  104   3.65 +/- 1.26  51.457% * 92.7490% (0.82 10.00   4.68  15.22) =  97.691%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.48 +/- 1.63  17.581% *  5.4689% (0.78  1.00   1.24   0.23) =   1.968%  kept
          HB3   TRP   27 - HB2   LEU  104  15.62 +/- 5.42   9.540% *  1.6864% (0.80  1.00   0.37   1.54) =   0.329%  kept
          QE    LYS+  99 - HB2   LEU  104   6.73 +/- 2.13  20.255% *  0.0244% (0.22  1.00   0.02  18.46) =   0.010%
          HB3   PHE   60 - HB2   LEU  104  15.78 +/- 2.67   1.167% *  0.0712% (0.63  1.00   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.35, residual support = 35.8:
          HN    ASP- 105 - HB2   LEU  104   3.01 +/- 0.79  99.489% * 99.8752% (0.82   6.35  35.78) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  23.42 +/- 3.84   0.511% *  0.1248% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 215.1:
      O   HN    LEU  104 - HB2   LEU  104   2.95 +/- 0.53  98.684% * 99.7579% (0.36  10.0   7.38 215.09) =  99.997%  kept
          HN    PHE   72 - HB2   LEU  104  13.76 +/- 2.29   1.316% *  0.2421% (0.87   1.0   0.02   0.02) =   0.003%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.87, residual support = 215.1:
      O   HN    LEU  104 - HB3   LEU  104   3.50 +/- 0.44  98.215% * 99.9343% (0.71  10.0   6.87 215.09) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  14.66 +/- 2.14   1.785% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.43, residual support = 215.1:
          HN    LEU  104 - HG    LEU  104   3.05 +/- 0.76  98.453% * 99.8235% (0.92   7.43 215.09) =  99.997%  kept
          HN    PHE   72 - HG    LEU  104  13.94 +/- 1.87   1.547% *  0.1765% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.53 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 1.71, residual support = 18.4:
          HN    LYS+  99 - HG    LEU  104   4.27 +/- 1.40  67.855% * 96.7852% (0.98   1.72  18.46) =  99.555%  kept
          HE1   HIS  122 - HG    LEU  104  13.07 +/- 5.61  18.475% *  1.1449% (1.00   0.02   0.02) =   0.321%  kept
          HN    GLN   30 - HG    LEU  104  15.38 +/- 4.19   9.849% *  0.5145% (0.45   0.02   0.68) =   0.077%
          HN    GLU-  14 - HG    LEU  104  22.07 +/- 3.96   2.183% *  1.1248% (0.98   0.02   0.02) =   0.037%
          HN    ASP-  86 - HG    LEU  104  23.67 +/- 4.37   1.638% *  0.4307% (0.38   0.02   0.02) =   0.011%
    Distance limit 4.18 A violated in 4 structures by 0.52 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 6.6, residual support = 198.2:
          HN    LEU  104 - QD1   LEU  104   3.91 +/- 0.42  57.139% * 73.6116% (0.40   6.87 215.09) =  90.255%  kept
          HN    PHE   72 - QD1   LEU   73   6.12 +/- 0.76  18.418% * 21.8448% (0.18   4.56  44.90) =   8.634%  kept
          HN    PHE   72 - QD1   LEU   63   7.36 +/- 1.12  12.647% *  3.9444% (0.18   0.82  16.63) =   1.070%  kept
          HN    PHE   72 - QD1   LEU  104  11.35 +/- 2.05   2.986% *  0.5202% (0.96   0.02   0.02) =   0.033%
          HN    LEU  104 - QD1   LEU   63  11.43 +/- 2.91   5.553% *  0.0395% (0.07   0.02   0.02) =   0.005%
          HN    LEU  104 - QD1   LEU   73  12.77 +/- 2.43   3.257% *  0.0395% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.28, residual support = 18.4:
        T HB2   LYS+  99 - QD1   LEU  104   3.18 +/- 1.58  62.880% * 96.6927% (0.40 10.00   3.30  18.46) =  99.635%  kept
        T HB    VAL   43 - QD1   LEU  104  10.78 +/- 2.30  13.133% *  1.2374% (0.51 10.00   0.02   0.02) =   0.266%  kept
          HB    VAL   43 - QD1   LEU   73   7.90 +/- 2.59  10.046% *  0.4534% (0.09  1.00   0.40   2.81) =   0.075%
        T HB    ILE   89 - QD1   LEU  104  19.50 +/- 3.34   0.508% *  1.0545% (0.43 10.00   0.02   0.02) =   0.009%
        T HB2   LYS+  99 - QD1   LEU   63  11.67 +/- 2.35   2.274% *  0.1781% (0.07 10.00   0.02   0.02) =   0.007%
        T HB2   LYS+  99 - QD1   LEU   73  12.36 +/- 2.12   1.420% *  0.1781% (0.07 10.00   0.02   0.02) =   0.004%
          HB    VAL   43 - QD1   LEU   63   9.60 +/- 3.00   4.949% *  0.0228% (0.09  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QD1   LEU  104  21.38 +/- 3.51   0.567% *  0.1054% (0.43  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU   63  17.57 +/- 4.25   1.485% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  15.19 +/- 2.69   1.070% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  14.43 +/- 2.09   0.943% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  16.57 +/- 3.30   0.725% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.855, support = 2.44, residual support = 19.6:
          HB2   LYS+  99 - QD2   LEU  104   3.34 +/- 1.34  42.294% * 82.5486% (0.90  1.00   2.40  18.46) =  94.369%  kept
          HB3   GLN   17 - QG2   VAL   18   4.53 +/- 1.05  26.101% *  6.0794% (0.04  1.00   4.13  50.48) =   4.289%  kept
        T HB    VAL   43 - QD2   LEU  104  10.37 +/- 2.09   3.676% *  7.4137% (0.97 10.00   0.02   0.02) =   0.737%  kept
          HB2   LYS+  99 - QG1   VAL   41   6.17 +/- 1.88  15.411% *  1.2570% (0.05  1.00   0.68   0.02) =   0.524%  kept
        T HB    VAL   43 - QG1   VAL   41   7.77 +/- 0.81   3.199% *  0.3982% (0.05 10.00   0.02   1.55) =   0.034%
        T HB    VAL   43 - QG2   VAL   18  13.15 +/- 5.55   1.103% *  1.1392% (0.15 10.00   0.02   0.02) =   0.034%
          QD    LYS+  81 - QD2   LEU  104  21.04 +/- 3.15   0.251% *  0.7091% (0.92  1.00   0.02   0.02) =   0.005%
          QD    LYS+  81 - QG2   VAL   18  18.81 +/- 6.93   0.882% *  0.1090% (0.14  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QG2   VAL   18  14.46 +/- 2.92   0.661% *  0.1059% (0.14  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QD2   LEU  104  16.89 +/- 2.96   0.356% *  0.1916% (0.25  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG1   VAL   41  13.82 +/- 4.65   5.789% *  0.0103% (0.01  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QG1   VAL   41  18.29 +/- 2.63   0.278% *  0.0381% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.39, residual support = 41.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  93.426% * 76.0470% (0.72  10.0 10.00   3.38  41.90) =  98.747%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.08 +/- 0.27   3.934% * 22.8672% (0.93   1.0  1.00   4.69  23.78) =   1.250%  kept
          HB    ILE  103 - HB2   ASP- 105   8.14 +/- 0.49   0.976% *  0.0684% (0.65   1.0  1.00   0.02   3.18) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  16.27 +/- 1.38   0.131% *  0.3735% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   ASP- 105  15.16 +/- 2.61   0.378% *  0.0863% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.55 +/- 3.80   0.268% *  0.0723% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  16.92 +/- 3.57   0.251% *  0.0524% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  17.15 +/- 2.59   0.138% *  0.0863% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  17.83 +/- 3.53   0.156% *  0.0644% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.59 +/- 2.77   0.096% *  0.0723% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  22.25 +/- 3.02   0.054% *  0.0960% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.32 +/- 1.86   0.050% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.32 +/- 2.66   0.141% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.66, residual support = 4.21:
        T QG2   THR  118 - HB2   ASP- 105   5.99 +/- 3.34 100.000% *100.0000% (0.54 10.00   1.66   4.21) = 100.000%  kept
    Distance limit 3.38 A violated in 11 structures by 2.82 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.66, residual support = 4.21:
        T QG2   THR  118 - HB3   ASP- 105   6.12 +/- 3.32 100.000% *100.0000% (0.57 10.00   1.66   4.21) = 100.000%  kept
    Distance limit 3.60 A violated in 13 structures by 2.71 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.881, support = 4.67, residual support = 48.7:
          HB2   PHE   97 - HB2   ASP- 105   4.37 +/- 0.74  55.428% * 54.9472% (0.89   4.90  59.06) =  70.666%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.33 +/- 1.17  28.665% * 43.8884% (0.85   4.13  23.78) =  29.191%  kept
          HB3   TRP   27 - HB2   ASP- 105  17.06 +/- 4.51   5.313% *  0.9332% (0.87   0.09   0.02) =   0.115%  kept
          HB3   PHE   60 - HB2   ASP- 105  13.38 +/- 2.18   5.317% *  0.1721% (0.69   0.02   0.02) =   0.021%
          QE    LYS+  99 - HB2   ASP- 105  10.26 +/- 1.67   5.278% *  0.0591% (0.24   0.02   0.48) =   0.007%
    Distance limit 4.06 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.813, support = 3.79, residual support = 54.9:
        T HB2   PHE   97 - HB3   ASP- 105   3.54 +/- 0.77  60.931% * 67.5547% (0.87 10.00   3.79  59.06) =  88.137%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.82 +/- 1.15  17.241% * 32.0171% (0.41 10.00   3.81  23.78) =  11.820%  kept
          HB3   TRP   27 - HB3   ASP- 105  16.37 +/- 4.75   5.074% *  0.2979% (0.90  1.00   0.09   0.02) =   0.032%
          QE    LYS+  99 - HB3   ASP- 105   9.11 +/- 1.64   5.094% *  0.0566% (0.73  1.00   0.02   0.48) =   0.006%
          QE    LYS+ 102 - HB3   ASP- 105  10.08 +/- 1.86   8.362% *  0.0194% (0.25  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - HB3   ASP- 105  13.71 +/- 2.23   2.292% *  0.0194% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  16.02 +/- 2.75   1.005% *  0.0349% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 41.9:
      O T HA    ASP- 105 - HB3   ASP- 105   2.92 +/- 0.15  91.314% * 99.8608% (0.87  10.0 10.00   3.21  41.90) =  99.996%  kept
          HB    THR   23 - HB3   ASP- 105  22.21 +/- 5.76   3.616% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   23 - HB3   ASP- 105  21.51 +/- 5.88   4.836% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB3   ASP- 105  23.21 +/- 3.54   0.234% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.59, residual support = 41.9:
      O   HN    ASP- 105 - HB3   ASP- 105   2.79 +/- 0.23  99.732% * 99.9603% (0.95  10.0   4.59  41.90) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  22.25 +/- 2.87   0.268% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.85, residual support = 23.8:
          HN    LYS+ 106 - HB3   ASP- 105   4.00 +/- 0.31  92.136% * 99.5441% (0.18   3.85  23.78) =  99.961%  kept
          HN    VAL   41 - HB3   ASP- 105  10.08 +/- 1.61   7.864% *  0.4559% (0.15   0.02   0.02) =   0.039%
    Distance limit 3.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.59, residual support = 59.1:
          QD    PHE   97 - HB2   ASP- 105   3.60 +/- 0.77  96.956% * 99.3472% (0.87   3.59  59.06) =  99.986%  kept
          HZ3   TRP   87 - HB2   ASP- 105  18.04 +/- 5.56   2.429% *  0.5195% (0.82   0.02   0.02) =   0.013%
          HE3   TRP   49 - HB2   ASP- 105  22.75 +/- 4.36   0.614% *  0.1333% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.68, residual support = 41.9:
      O   HN    ASP- 105 - HB2   ASP- 105   3.57 +/- 0.21  99.462% * 99.9603% (0.89  10.0   4.68  41.90) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  21.60 +/- 2.76   0.538% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.81, residual support = 23.8:
          HN    LYS+ 106 - HB2   ASP- 105   2.89 +/- 0.44  97.120% * 99.5400% (0.17   3.81  23.78) =  99.986%  kept
          HN    VAL   41 - HB2   ASP- 105  11.17 +/- 1.57   2.880% *  0.4600% (0.15   0.02   0.02) =   0.014%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.06, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   3.34 +/- 0.62  97.281% * 99.9188% (0.87 10.00   1.06   2.13) =  99.998%  kept
          HA    PHE   72 - HA    LYS+ 106  12.92 +/- 2.36   2.719% *  0.0812% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.15, residual support = 11.0:
          QD    PHE   97 - HA    LYS+ 106   3.90 +/- 1.01  92.435% * 99.5981% (0.45   4.15  10.99) =  99.967%  kept
          HZ3   TRP   87 - HA    LYS+ 106  15.02 +/- 5.77   7.565% *  0.4019% (0.38   0.02   0.02) =   0.033%
    Distance limit 3.96 A violated in 3 structures by 0.36 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.98, residual support = 10.9:
          HN    PHE   97 - HA    LYS+ 106   3.43 +/- 0.57  92.545% * 90.3021% (0.90   3.00  10.99) =  99.412%  kept
          HN    LEU  115 - HA    LYS+ 106  10.04 +/- 1.31   5.153% *  9.5110% (0.90   0.32   0.02) =   0.583%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.18 +/- 1.16   2.302% *  0.1869% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.6:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.90 +/- 0.05 100.000% *100.0000% (0.61  10.0   5.17 135.64) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.3:
      O   HN    VAL  107 - HA    LYS+ 106   2.23 +/- 0.15  99.605% * 99.8992% (0.99  10.0   4.58  26.28) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.80 +/- 3.56   0.395% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.37, residual support = 135.6:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.84 +/- 0.33  97.837% * 99.9120% (0.18  10.0   5.37 135.64) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  11.48 +/- 1.23   2.163% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.1, residual support = 26.3:
          HN    VAL  107 - QB    LYS+ 106   3.22 +/- 0.34  96.213% * 99.6063% (0.99   5.11  26.28) =  99.984%  kept
          HN    GLY   51 - QB    LYS+ 106  18.13 +/- 3.82   3.787% *  0.3937% (1.00   0.02   0.02) =   0.016%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.606, support = 5.93, residual support = 135.5:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.46 +/- 0.11  88.303% * 94.0497% (0.61  10.0 10.00   5.93 135.64) =  99.917%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.50 +/- 0.94   3.863% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.052%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.25 +/- 1.23   1.058% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  33 - QB    LYS+ 106  18.24 +/- 1.69   0.245% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - QB    LYS+ 106  18.84 +/- 2.31   0.243% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QB    LYS+ 106  10.61 +/- 1.14   1.235% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QB    LYS+ 106  11.50 +/- 3.80   1.546% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 106  14.30 +/- 2.56   0.714% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QB    LYS+ 106  13.66 +/- 1.02   0.552% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+ 106  22.64 +/- 4.33   0.191% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  16.24 +/- 1.86   0.359% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.71 +/- 1.06   1.189% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  16.84 +/- 4.46   0.501% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.996, support = 2.68, residual support = 5.71:
          QG2   VAL  108 - QB    LYS+ 106   3.25 +/- 0.29  79.382% * 86.4827% (1.00   2.72   5.80) =  98.329%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.54 +/- 0.57   7.913% *  9.4243% (0.98   0.30   0.23) =   1.068%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.63 +/- 2.27  10.741% *  3.8756% (0.76   0.16   0.02) =   0.596%  kept
          HG3   LYS+ 112 - QB    LYS+ 106  12.98 +/- 1.35   1.963% *  0.2174% (0.34   0.02   0.02) =   0.006%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.723, support = 4.26, residual support = 23.9:
          QG2   VAL  107 - QB    LYS+ 106   5.36 +/- 0.30  27.788% * 93.4020% (0.76   4.61  26.28) =  90.920%  kept
          QG2   THR   94 - QB    LYS+ 106   4.43 +/- 0.77  44.715% *  5.5225% (0.28   0.75   0.02) =   8.651%  kept
          HG13  ILE  103 - QB    LYS+ 106   6.61 +/- 1.95  20.297% *  0.5285% (1.00   0.02   0.02) =   0.376%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  12.02 +/- 4.12   3.751% *  0.2787% (0.53   0.02   0.02) =   0.037%
          HB3   LYS+ 112 - QB    LYS+ 106  13.72 +/- 1.29   1.941% *  0.1635% (0.31   0.02   0.02) =   0.011%
          QB    ALA   20 - QB    LYS+ 106  16.22 +/- 2.35   1.509% *  0.1048% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.69 A violated in 0 structures by 0.45 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.134, support = 5.78, residual support = 110.3:
          HN    LYS+  81 - QG    LYS+  81   2.64 +/- 0.43  85.669% * 66.5590% (0.13   5.82 111.15) =  99.261%  kept
          QE    PHE   95 - HG2   LYS+ 106  10.50 +/- 0.99   1.983% * 10.7131% (0.34   0.36   0.02) =   0.370%  kept
          HE3   TRP   27 - QG    LYS+  81  17.54 +/- 6.09   0.781% *  9.3786% (0.47   0.23   0.02) =   0.127%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.72 +/- 0.99   3.062% *  1.6847% (0.98   0.02   0.02) =   0.090%
          HN    THR   23 - QG    LYS+  81  16.92 +/- 7.77   1.392% *  2.8839% (0.25   0.13   0.02) =   0.070%
          HN    THR   23 - HG2   LYS+  33  13.28 +/- 1.38   0.997% *  0.9043% (0.53   0.02   0.02) =   0.016%
          HE3   TRP   27 - HG2   LYS+ 106  16.26 +/- 3.50   0.856% *  1.0217% (0.59   0.02   0.02) =   0.015%
          QD    PHE   55 - QG    LYS+  81  16.85 +/- 3.53   1.010% *  0.7784% (0.45   0.02   0.02) =   0.014%
          QD    PHE   55 - HG2   LYS+ 106  17.28 +/- 2.51   0.537% *  0.9860% (0.57   0.02   0.02) =   0.009%
          QE    PHE   95 - QG    LYS+  81  14.64 +/- 2.02   0.673% *  0.4659% (0.27   0.02   0.02) =   0.005%
          QE    PHE   95 - HG2   LYS+  33  18.74 +/- 1.99   0.294% *  0.9731% (0.57   0.02   0.02) =   0.005%
          HN    LEU   67 - HG2   LYS+  33  16.65 +/- 3.90   0.713% *  0.3401% (0.20   0.02   0.02) =   0.004%
          HN    THR   23 - HG2   LYS+ 106  21.15 +/- 4.18   0.382% *  0.5484% (0.32   0.02   0.02) =   0.004%
          QD    PHE   55 - HG2   LYS+  33  25.95 +/- 2.22   0.105% *  1.6259% (0.95   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+ 106  21.55 +/- 4.05   0.423% *  0.2898% (0.17   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+  33  25.35 +/- 6.88   0.232% *  0.4779% (0.28   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  18.75 +/- 3.14   0.394% *  0.2063% (0.12   0.02   0.02) =   0.001%
          HN    LEU   67 - QG    LYS+  81  20.02 +/- 4.15   0.498% *  0.1629% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.275, support = 0.613, residual support = 1.2:
          HN    GLU-  79 - QG    LYS+  81   6.20 +/- 1.23  51.242% * 78.5819% (0.27   0.63   1.24) =  96.796%  kept
          HN    VAL   70 - HG2   LYS+  33  13.29 +/- 4.11  18.014% *  4.4606% (0.49   0.02   0.02) =   1.932%  kept
          HN    THR   94 - HG2   LYS+ 106  11.06 +/- 1.14  12.218% *  1.0999% (0.12   0.02   0.02) =   0.323%  kept
          HN    VAL   70 - HG2   LYS+ 106  17.02 +/- 2.53   4.100% *  2.7053% (0.30   0.02   0.02) =   0.267%  kept
          HN    GLU-  79 - HG2   LYS+  33  22.87 +/- 4.73   1.629% *  5.1883% (0.57   0.02   0.02) =   0.203%  kept
          HN    GLU-  79 - HG2   LYS+ 106  19.81 +/- 2.64   2.092% *  3.1466% (0.34   0.02   0.02) =   0.158%  kept
          HN    THR   94 - QG    LYS+  81  12.82 +/- 2.01   6.968% *  0.8683% (0.09   0.02   0.02) =   0.145%  kept
          HN    THR   94 - HG2   LYS+  33  21.31 +/- 3.05   2.040% *  1.8136% (0.20   0.02   0.02) =   0.089%
          HN    VAL   70 - QG    LYS+  81  21.09 +/- 3.37   1.696% *  2.1357% (0.23   0.02   0.02) =   0.087%
    Distance limit 4.05 A violated in 8 structures by 1.82 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.6:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.67 +/- 0.57  97.822% * 99.8764% (0.18  10.0   5.66 135.64) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  12.61 +/- 1.01   1.396% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  18.94 +/- 1.61   0.377% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  19.14 +/- 2.10   0.406% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.2, residual support = 41.8:
        T HB2   PHE   95 - HB    VAL  107   2.32 +/- 0.73 100.000% *100.0000% (0.69 10.00   4.20  41.84) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.19, residual support = 60.1:
      O T QG2   VAL  107 - HB    VAL  107   2.11 +/- 0.02  95.994% * 99.7352% (0.72  10.0 10.00   3.19  60.11) =  99.998%  kept
          HG2   LYS+ 121 - HB    VAL  107  11.37 +/- 3.56   1.247% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  10.95 +/- 1.70   0.807% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.89 +/- 2.21   1.370% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.74 +/- 2.66   0.390% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.11 +/- 3.21   0.191% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.9, residual support = 60.1:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  94.923% * 99.7552% (0.71  10.0 10.00   3.90  60.11) =  99.998%  kept
          HD3   LYS+ 112 - HB    VAL  107  10.54 +/- 1.71   0.986% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    VAL  107  17.40 +/- 3.91   0.871% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.89 +/- 2.21   1.364% *  0.0227% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  16.51 +/- 3.82   1.665% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.11 +/- 3.21   0.191% *  0.0254% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.657, support = 0.626, residual support = 5.13:
          QD2   LEU  115 - HB    VAL  107   5.96 +/- 1.62  34.238% * 52.8934% (0.67   0.75   7.61) =  66.890%  kept
          QD1   LEU   63 - HB    VAL  107   8.50 +/- 3.19  23.758% * 28.5833% (0.71   0.38   0.12) =  25.083%  kept
          QD2   LEU   63 - HB    VAL  107   9.81 +/- 2.91  12.915% * 14.2248% (0.33   0.42   0.12) =   6.785%  kept
          QD1   LEU   73 - HB    VAL  107  12.22 +/- 3.53  13.298% *  1.4977% (0.71   0.02   0.02) =   0.736%  kept
          QD1   LEU  104 - HB    VAL  107  10.36 +/- 1.02   7.523% *  1.0496% (0.50   0.02   0.02) =   0.292%  kept
          QD2   LEU   80 - HB    VAL  107  16.44 +/- 3.46   2.692% *  1.3703% (0.65   0.02   0.02) =   0.136%  kept
          QG1   VAL   83 - HB    VAL  107  14.72 +/- 3.70   5.576% *  0.3810% (0.18   0.02   0.02) =   0.078%
    Distance limit 4.07 A violated in 8 structures by 1.10 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.53, residual support = 41.8:
          QD    PHE   95 - HB    VAL  107   2.57 +/- 0.75  98.320% * 99.8187% (0.63   3.53  41.84) =  99.997%  kept
          HN    ALA   47 - HB    VAL  107  13.33 +/- 1.69   1.680% *  0.1813% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.77 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 = 0.325, support = 1.74, residual support = 5.53:
          QD    PHE   97 - HB    VAL  107   5.41 +/- 1.14  91.857% * 99.0454% (0.33   1.74   5.54) =  99.915%  kept
          HZ3   TRP   87 - HB    VAL  107  16.27 +/- 4.63   8.143% *  0.9546% (0.27   0.02   0.02) =   0.085%
    Distance limit 3.89 A violated in 7 structures by 1.55 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   2.62 +/- 0.44  99.460% * 99.8992% (0.72  10.0   3.33  60.11) =  99.999%  kept
          HN    GLY   51 - HB    VAL  107  16.93 +/- 2.61   0.540% *  0.1008% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.14, residual support = 41.8:
          HN    PHE   95 - HB    VAL  107   3.56 +/- 0.59 100.000% *100.0000% (0.47   3.14  41.84) = 100.000%  kept
    Distance limit 4.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.34, residual support = 60.1:
      O   QG2   VAL  107 - QG1   VAL  107   2.03 +/- 0.07  92.257% * 99.3994% (0.99  10.0  1.00   4.34  60.11) =  99.990%  kept
        T HG13  ILE  119 - QG1   VAL  107   7.83 +/- 1.84   2.452% *  0.1985% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - QG1   VAL  107   8.49 +/- 3.16   2.905% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QG1   VAL  107   9.08 +/- 1.75   1.481% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  15.19 +/- 2.89   0.300% *  0.1756% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG1   VAL  107  14.26 +/- 2.36   0.604% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.9, residual support = 60.1:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  92.905% * 99.5757% (0.65  10.0 10.00   3.90  60.11) =  99.997%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.94 +/- 1.35   2.363% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG1   VAL  107   7.56 +/- 1.30   2.574% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.54 +/- 1.54   1.440% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG1   VAL  107  15.72 +/- 1.90   0.272% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  17.25 +/- 1.84   0.193% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.37 +/- 0.86   0.253% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 3.19, residual support = 60.1:
      O T HB    VAL  107 - QG2   VAL  107   2.11 +/- 0.02  91.221% * 97.9649% (0.65  10.0 10.00   3.19  60.11) =  99.935%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.97 +/- 1.12   3.367% *  1.6555% (0.25   1.0 10.00   0.09   0.02) =   0.062%
          HB3   PHE   45 - QG2   VAL  107   9.08 +/- 1.71   2.030% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   7.12 +/- 1.16   2.785% *  0.0265% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  15.62 +/- 1.84   0.261% *  0.1265% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  18.26 +/- 1.91   0.161% *  0.1511% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.16 +/- 0.81   0.175% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.653, support = 1.71, residual support = 5.79:
        T QB    GLU- 114 - QG2   VAL  107   3.49 +/- 1.13  54.181% * 94.6669% (0.65 10.00   1.74   5.90) =  98.076%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.61 +/- 1.89  23.740% *  4.0928% (0.99  1.00   0.49   0.02) =   1.858%  kept
        T HB    ILE  119 - QG2   VAL  107   8.00 +/- 1.94   6.937% *  0.2952% (0.18 10.00   0.02   0.02) =   0.039%
          HB3   GLU-  25 - QG2   VAL  107  20.75 +/- 3.71   1.617% *  0.1594% (0.95  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - QG2   VAL  107  18.83 +/- 3.15   1.372% *  0.1685% (1.00  1.00   0.02   0.02) =   0.004%
          HG3   GLN   30 - QG2   VAL  107  16.98 +/- 2.71   3.178% *  0.0693% (0.41  1.00   0.02   0.02) =   0.004%
          HB    ILE   19 - QG2   VAL  107  16.60 +/- 2.27   2.162% *  0.0954% (0.57  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QG2   VAL  107  18.41 +/- 2.25   0.836% *  0.1685% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - QG2   VAL  107  16.17 +/- 2.01   1.020% *  0.1350% (0.80  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG2   VAL  107  15.18 +/- 2.38   1.225% *  0.0820% (0.49  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   VAL  107  16.12 +/- 2.20   2.897% *  0.0295% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QG2   VAL  107  17.50 +/- 1.18   0.834% *  0.0375% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 2 structures by 0.54 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.929, support = 1.09, residual support = 2.32:
        T QD1   LEU   63 - QG1   VAL  107   7.08 +/- 2.58  22.136% * 43.5466% (0.98 10.00   0.59   0.12) =  45.750%  kept
          QD2   LEU  115 - QG1   VAL  107   4.83 +/- 1.32  36.216% * 17.2656% (0.92  1.00   2.47   7.61) =  29.676%  kept
        T QD1   LEU   73 - QG1   VAL  107  10.66 +/- 3.04  13.299% * 28.4805% (0.98 10.00   0.38   0.02) =  17.975%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.01 +/- 2.36  14.076% *  9.1551% (0.45 10.00   0.27   0.12) =   6.116%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.16 +/- 0.70   8.138% *  1.0393% (0.69 10.00   0.02   0.02) =   0.401%  kept
        T QG1   VAL   83 - QG1   VAL  107  12.95 +/- 3.23   3.623% *  0.3773% (0.25 10.00   0.02   0.02) =   0.065%
          QD2   LEU   80 - QG1   VAL  107  14.32 +/- 3.15   2.512% *  0.1357% (0.90  1.00   0.02   0.02) =   0.016%
    Distance limit 2.94 A violated in 9 structures by 1.24 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 1.29, residual support = 7.58:
          QD1   LEU  115 - QG2   VAL  107   4.44 +/- 1.14  83.733% * 97.7242% (0.38   1.30   7.61) =  99.550%  kept
          QG1   VAL   75 - QG2   VAL  107   9.01 +/- 1.39  16.267% *  2.2758% (0.57   0.02   0.02) =   0.450%  kept
    Distance limit 3.73 A violated in 4 structures by 0.77 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.841, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107  10.16 +/- 1.36  71.700% * 58.0948% (0.90   0.02   0.02) =  77.839%  kept
          QG2   ILE   19 - QG2   VAL  107  14.63 +/- 1.75  28.300% * 41.9052% (0.65   0.02   0.02) =  22.161%  kept
    Distance limit 3.40 A violated in 20 structures by 6.50 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.6, residual support = 59.8:
      O T HA    VAL  107 - QG2   VAL  107   2.43 +/- 0.28  78.490% * 97.6761% (0.45  10.0 10.00   3.62  60.11) =  99.541%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.65 +/- 1.43  19.198% *  1.8208% (0.34   1.0  1.00   0.49   0.02) =   0.454%  kept
          HA    PRO   52 - QG2   VAL  107  12.26 +/- 2.56   0.997% *  0.1890% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - QG2   VAL  107  16.15 +/- 2.83   0.554% *  0.1820% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL  107  12.13 +/- 1.14   0.762% *  0.1321% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.392, support = 3.03, residual support = 13.0:
          HB    VAL  108 - QG1   VAL  107   5.63 +/- 0.56  36.531% * 53.5717% (0.45  1.00   4.31  19.62) =  66.162%  kept
        T HB    ILE  119 - QG1   VAL  107   7.62 +/- 2.34  24.191% * 37.8475% (0.25 10.00   0.55   0.02) =  30.953%  kept
          HG2   PRO   58 - QG1   VAL  107  10.18 +/- 2.69  11.805% *  6.3919% (0.65  1.00   0.36   0.02) =   2.551%  kept
          HB2   PRO   93 - QG1   VAL  107   8.60 +/- 1.52  12.566% *  0.4633% (0.84  1.00   0.02   0.02) =   0.197%  kept
          HB2   ARG+  54 - QG1   VAL  107  14.13 +/- 2.42   6.768% *  0.2918% (0.53  1.00   0.02   0.02) =   0.067%
          HG3   PRO   52 - QG1   VAL  107  14.08 +/- 2.81   3.131% *  0.3588% (0.65  1.00   0.02   0.02) =   0.038%
          HB2   GLU-  14 - QG1   VAL  107  21.23 +/- 2.16   0.752% *  0.4028% (0.73  1.00   0.02   0.02) =   0.010%
          HB2   GLN   30 - QG1   VAL  107  15.16 +/- 1.94   2.124% *  0.1383% (0.25  1.00   0.02   0.02) =   0.010%
          HG2   MET   11 - QG1   VAL  107  25.33 +/- 3.47   0.446% *  0.4239% (0.76  1.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - QG1   VAL  107  15.73 +/- 1.06   1.685% *  0.1098% (0.20  1.00   0.02   0.02) =   0.006%
    Distance limit 3.40 A violated in 11 structures by 1.61 A, kept.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.901, support = 1.19, residual support = 7.16:
          HA    LEU  115 - QG1   VAL  107   3.32 +/- 1.47  57.940% * 48.3027% (0.90   1.21   7.61) =  74.525%  kept
          HA    GLU- 114 - QG1   VAL  107   5.49 +/- 1.58  19.685% * 48.0940% (0.92   1.17   5.90) =  25.210%  kept
          HA    ARG+  54 - QG1   VAL  107  12.72 +/- 2.72  14.144% *  0.3046% (0.34   0.02   0.02) =   0.115%  kept
          HA    ASN   28 - QG1   VAL  107  16.35 +/- 2.84   2.277% *  0.7745% (0.87   0.02   0.02) =   0.047%
          HA    THR   26 - QG1   VAL  107  18.77 +/- 2.74   2.437% *  0.5415% (0.61   0.02   0.02) =   0.035%
          HA1   GLY  101 - QG1   VAL  107  14.88 +/- 1.01   1.382% *  0.8849% (0.99   0.02   0.02) =   0.033%
          HA    ALA   34 - QG1   VAL  107  15.92 +/- 1.52   1.324% *  0.8752% (0.98   0.02   0.02) =   0.031%
          HA    ALA  124 - QG1   VAL  107  14.77 +/- 2.62   0.810% *  0.2226% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.36 A violated in 3 structures by 0.38 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.6, residual support = 60.1:
      O T HA    VAL  107 - QG1   VAL  107   2.49 +/- 0.44  89.531% * 99.4123% (0.45  10.0 10.00   4.60  60.11) =  99.988%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.26 +/- 1.35   7.218% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          HA    TRP   27 - QG1   VAL  107  15.50 +/- 2.50   1.214% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - QG1   VAL  107  13.60 +/- 2.41   0.934% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - QG1   VAL  107  13.05 +/- 1.28   1.103% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.502, support = 0.342, residual support = 1.04:
          QD    PHE   59 - QG1   VAL  107   5.70 +/- 1.66  64.346% * 79.2087% (0.49   0.36   1.09) =  95.410%  kept
          HH2   TRP   49 - QG1   VAL  107  14.20 +/- 2.67  10.988% *  8.7732% (0.97   0.02   0.02) =   1.805%  kept
          HE21  GLN   30 - QG1   VAL  107  15.37 +/- 2.89  12.515% *  7.5932% (0.84   0.02   0.02) =   1.779%  kept
          HD1   TRP   27 - QG1   VAL  107  15.93 +/- 3.49  12.150% *  4.4249% (0.49   0.02   0.02) =   1.006%  kept
    Distance limit 3.25 A violated in 14 structures by 2.27 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.78, residual support = 41.8:
          QD    PHE   95 - QG2   VAL  107   2.47 +/- 0.65  96.429% * 99.4774% (0.95   3.78  41.84) =  99.992%  kept
          HN    ALA   47 - QG2   VAL  107  11.25 +/- 1.81   1.317% *  0.4252% (0.76   0.02   0.02) =   0.006%
          QE    PHE   72 - QG2   VAL  107   9.95 +/- 1.51   2.254% *  0.0974% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.858, support = 1.7, residual support = 7.04:
          HN    LEU  115 - QG2   VAL  107   3.72 +/- 1.25  65.321% * 68.1075% (0.90   1.78   7.61) =  89.042%  kept
          HN    ASP- 113 - QG2   VAL  107   6.39 +/- 1.17  16.457% * 19.0767% (0.28   1.61   0.10) =   6.283%  kept
          HN    PHE   97 - QG2   VAL  107   7.13 +/- 0.73  18.223% * 12.8157% (0.90   0.33   5.54) =   4.674%  kept
    Distance limit 3.95 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.6:
          HN    VAL  108 - QG2   VAL  107   3.27 +/- 0.30  93.497% * 99.3371% (0.57   3.64  19.62) =  99.954%  kept
          HN    VAL   43 - QG2   VAL  107   8.63 +/- 0.90   6.503% *  0.6629% (0.69   0.02   0.02) =   0.046%
    Distance limit 3.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.1:
          HN    VAL  107 - QG1   VAL  107   2.67 +/- 0.52  98.456% * 99.5139% (0.99   4.13  60.11) =  99.992%  kept
          HN    GLY   51 - QG1   VAL  107  14.91 +/- 2.51   1.544% *  0.4861% (1.00   0.02   0.02) =   0.008%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3193 (9.18, 1.09, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   7.57 +/- 1.38 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 4.00 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 = 6.38:
      O   HN    ALA  110 - HA2   GLY  109   2.89 +/- 0.29  97.405% * 99.9027% (0.99  10.0   2.20   6.38) =  99.997%  kept
          HN    PHE   45 - HA2   GLY  109  11.08 +/- 1.61   2.595% *  0.0973% (0.97   1.0   0.02   0.02) =   0.003%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.29:
      O   HN    GLY  109 - HA2   GLY  109   2.51 +/- 0.23  98.714% * 99.5895% (0.53  10.0   2.20   9.29) =  99.998%  kept
          HN    GLN   90 - HA2   GLY  109  13.31 +/- 2.46   0.812% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA2   GLY  109  19.11 +/- 0.95   0.240% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  20.42 +/- 2.95   0.234% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.69, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   2.92 +/- 0.47  96.851% * 99.8788% (0.57  10.0   4.69  65.00) =  99.996%  kept
          HN    VAL   43 - HB    VAL  108  11.11 +/- 1.71   3.149% *  0.1212% (0.69   1.0   0.02   0.02) =   0.004%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.49:
          HN    GLY  109 - QG1   VAL  108   2.58 +/- 0.39  95.655% * 89.7981% (0.14   3.09   7.50) =  99.838%  kept
          HN    GLN   90 - QG1   VAL  108  10.69 +/- 2.22   2.218% *  3.7236% (0.87   0.02   0.02) =   0.096%
          HN    SER   82 - QG1   VAL  108  15.88 +/- 3.23   0.958% *  2.9487% (0.69   0.02   0.02) =   0.033%
          HN    ILE  103 - QG1   VAL  108  13.26 +/- 1.17   0.928% *  2.9487% (0.69   0.02   0.02) =   0.032%
          HN    GLY   16 - QG1   VAL  108  22.84 +/- 4.15   0.241% *  0.5809% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.70 A violated in 0 structures by 0.01 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   3.58 +/- 0.31  94.885% * 99.4662% (0.57   4.52  65.00) =  99.971%  kept
          HN    VAL   43 - QG1   VAL  108  10.76 +/- 1.45   5.115% *  0.5338% (0.69   0.02   0.02) =   0.029%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.71 +/- 0.60  96.108% * 99.4085% (0.57   4.08  65.00) =  99.976%  kept
          HN    VAL   43 - QG2   VAL  108   9.46 +/- 1.11   3.892% *  0.5915% (0.69   0.02   0.02) =   0.024%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.73 +/- 1.07  61.830% * 32.6470% (0.80   0.02   0.02) =  62.521%  kept
          HN    SER   82 - QG2   VAL  108  16.08 +/- 3.44  25.734% * 28.0060% (0.69   0.02   0.02) =  22.322%  kept
          HN    GLY   16 - QG2   VAL  108  21.59 +/- 4.16  12.437% * 39.3470% (0.97   0.02   0.02) =  15.156%  kept
    Distance limit 4.41 A violated in 20 structures by 5.91 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  15.56 +/- 2.99 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.96 A violated in 20 structures by 11.60 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 = 5.8:
          HA    LYS+ 106 - QG2   VAL  108   4.94 +/- 0.13 100.000% *100.0000% (0.28   1.42   5.80) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.82 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.53, residual support = 313.1:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.41 +/- 0.17  85.807% * 93.0980% (0.69  10.0  1.00   6.54 314.61) =  99.474%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.07 +/- 0.91   7.783% *  5.3123% (0.18   1.0  1.00   4.48  28.51) =   0.515%  kept
          HB3   PRO   93 - HB3   LYS+ 111   9.26 +/- 2.16   3.115% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HB3   LYS+ 111  13.06 +/- 2.45   0.729% *  0.3380% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HB3   LYS+ 111  12.91 +/- 2.11   0.754% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  14.88 +/- 1.78   0.411% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  16.05 +/- 2.47   0.381% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+ 111  18.33 +/- 1.35   0.214% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.23 +/- 4.47   0.211% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  19.24 +/- 2.25   0.203% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.95 +/- 2.25   0.117% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  24.39 +/- 3.05   0.095% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.73 +/- 1.64   0.118% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  28.01 +/- 2.33   0.061% *  0.0418% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.396, support = 2.97, residual support = 22.9:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.21 +/- 1.45  34.368% * 79.0878% (0.31  1.00   3.64  28.51) =  80.424%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.87 +/- 2.21  56.750% * 11.4373% (0.76  1.00   0.21   0.02) =  19.205%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.94 +/- 2.39   1.208% *  7.4016% (0.53 10.00   0.02   0.02) =   0.265%  kept
          QG2   THR   94 - HB3   LYS+ 111   8.87 +/- 1.51   5.855% *  0.3912% (0.28  1.00   0.02   0.02) =   0.068%
          HG13  ILE  103 - HB3   LYS+ 111  17.40 +/- 2.34   0.711% *  1.4037% (1.00  1.00   0.02   0.02) =   0.030%
          QB    ALA   20 - HB3   LYS+ 111  20.27 +/- 3.82   1.108% *  0.2784% (0.20  1.00   0.02   0.02) =   0.009%
    Distance limit 3.20 A violated in 0 structures by 0.49 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.95, residual support = 314.6:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.91 +/- 0.14  87.767% * 99.9336% (0.97  10.0   6.95 314.61) =  99.997%  kept
          HA    PRO   52 - HB3   LYS+ 111  13.13 +/- 3.52   3.204% *  0.0504% (0.49   1.0   0.02   0.02) =   0.002%
          HA    VAL  108 - HB3   LYS+ 111   7.33 +/- 1.95   9.029% *  0.0160% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.48, residual support = 314.6:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.72 +/- 0.54  95.370% * 99.6823% (0.73  10.0   5.48 314.61) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.81 +/- 1.89   3.341% *  0.0468% (0.34   1.0   0.02   1.77) =   0.002%
          HN    ALA   84 - HB3   LYS+ 111  19.98 +/- 3.00   0.413% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  15.03 +/- 1.26   0.750% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  29.50 +/- 2.86   0.125% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.05, residual support = 314.6:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.12 +/- 0.59  85.149% * 99.5678% (1.00  10.0   7.05 314.61) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.25 +/- 1.64   2.411% *  0.0834% (0.84   1.0   0.02   1.77) =   0.002%
          HN    LEU   63 - HB2   LYS+ 111  15.86 +/- 1.39   0.821% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.03 +/- 1.21   3.583% *  0.0146% (0.15   1.0   0.02   1.81) =   0.001%
          HN    ALA   84 - HB2   LYS+ 111  20.83 +/- 2.74   0.352% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  16.74 +/- 3.23   1.200% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.16 +/- 0.94   5.140% *  0.0031% (0.03   1.0   0.02  16.71) =   0.000%
          HN    ALA   84 - HG3   GLN   30  22.50 +/- 6.36   0.529% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  30.51 +/- 2.94   0.108% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.22 +/- 2.58   0.239% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  24.09 +/- 2.78   0.264% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  25.38 +/- 4.58   0.203% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.176, support = 6.5, residual support = 313.6:
          HN    LYS+ 111 - HG2   LYS+ 111   3.60 +/- 0.85  85.510% * 91.3900% (0.18   6.52 314.61) =  99.669%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.74 +/- 2.10   4.747% *  3.8418% (0.49   0.10   1.77) =   0.233%  kept
          HZ2   TRP   87 - HG2   LYS+ 111  19.52 +/- 5.77   1.810% *  1.4358% (0.90   0.02   0.02) =   0.033%
          QE    PHE   60 - HG2   LYS+ 111  13.79 +/- 3.17   4.880% *  0.4941% (0.31   0.02   0.02) =   0.031%
          HN    LEU   63 - HG2   LYS+ 111  16.44 +/- 1.32   1.363% *  0.9711% (0.61   0.02   0.02) =   0.017%
          HD21  ASN   28 - HG2   LYS+ 111  25.28 +/- 4.98   0.704% *  1.5868% (0.99   0.02   0.02) =   0.014%
          HN    ALA   84 - HG2   LYS+ 111  20.32 +/- 3.64   0.986% *  0.2804% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.05 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.646, support = 6.54, residual support = 314.3:
          HN    LYS+ 111 - HG3   LYS+ 111   3.44 +/- 0.58  76.044% * 96.3293% (0.65   6.55 314.61) =  99.893%  kept
          HN    ILE   56 - HG3   LYS+ 111  11.47 +/- 1.75   2.877% *  2.1645% (0.97   0.10   1.77) =   0.085%
          HN    LEU   63 - HG2   LYS+  74   9.43 +/- 2.42   9.336% *  0.0485% (0.11   0.02   0.02) =   0.006%
          HN    LEU   63 - HG3   LYS+ 111  16.59 +/- 1.55   0.963% *  0.4539% (1.00   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HG3   LYS+ 111  19.98 +/- 5.74   1.032% *  0.1707% (0.38   0.02   0.02) =   0.002%
          HN    ALA   84 - HG3   LYS+ 111  20.51 +/- 3.51   0.584% *  0.2943% (0.65   0.02   0.02) =   0.002%
          HD21  ASN   28 - HG3   LYS+ 111  25.63 +/- 4.98   0.392% *  0.2576% (0.57   0.02   0.02) =   0.001%
          HN    ILE   56 - HG2   LYS+  74  13.74 +/- 2.32   2.112% *  0.0469% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  17.62 +/- 3.15   2.774% *  0.0315% (0.07   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  14.92 +/- 2.05   1.169% *  0.0315% (0.07   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  14.96 +/- 2.92   1.222% *  0.0275% (0.06   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  31.02 +/- 3.39   0.153% *  0.1134% (0.25   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  16.89 +/- 2.96   0.906% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.35 +/- 2.14   0.437% *  0.0121% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0891, support = 5.87, residual support = 31.6:
          HN    VAL   75 - HG2   LYS+  74   3.56 +/- 0.57  84.879% * 91.7709% (0.09   5.90  31.73) =  99.467%  kept
          HN    ASP-  78 - HG3   LYS+ 111  19.24 +/- 4.33   6.021% *  3.6021% (0.99   0.02   0.02) =   0.277%  kept
          HN    VAL   75 - HG3   LYS+ 111  18.35 +/- 3.49   3.725% *  2.9101% (0.80   0.02   0.02) =   0.138%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.27 +/- 1.24   5.375% *  1.7170% (0.11   0.09   0.02) =   0.118%  kept
    Distance limit 3.94 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 = 0.732, support = 1.16, residual support = 3.33:
        T HB2   LEU  115 - HA    LYS+ 112   2.98 +/- 0.91  58.011% * 67.6768% (0.76 10.00   0.75   2.13) =  87.916%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.38 +/- 0.64  19.242% * 16.3271% (0.73  1.00   1.90   0.33) =   7.035%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.42 +/- 0.36  14.857% * 15.0893% (0.18  1.00   7.30  28.51) =   5.020%  kept
          HG3   PRO   58 - HA    LYS+ 112   8.75 +/- 2.92   5.408% *  0.1891% (0.80  1.00   0.02   0.02) =   0.023%
          HG2   PRO   68 - HA    LYS+ 112  18.35 +/- 2.55   0.476% *  0.2048% (0.87  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    LYS+ 112  21.40 +/- 3.92   0.365% *  0.1891% (0.80  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  16.46 +/- 2.11   0.480% *  0.0886% (0.38  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  20.33 +/- 5.16   0.589% *  0.0414% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    LYS+ 112  23.45 +/- 4.61   0.248% *  0.0526% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  27.23 +/- 4.54   0.138% *  0.0886% (0.38  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  23.23 +/- 3.05   0.186% *  0.0526% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.833, support = 1.64, residual support = 7.1:
        T QD1   ILE   56 - HA    LYS+ 112   4.53 +/- 1.88  65.681% * 97.3890% (0.84 10.00   1.65   7.16) =  99.159%  kept
          QD2   LEU   73 - HA    LYS+ 112  13.65 +/- 4.70  22.385% *  2.3837% (0.57  1.00   0.60   0.02) =   0.827%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.38 +/- 1.06   3.869% *  0.1302% (0.92  1.00   0.02   0.02) =   0.008%
          QD2   LEU  123 - HA    LYS+ 112  12.84 +/- 1.39   5.833% *  0.0392% (0.28  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HA    LYS+ 112  22.33 +/- 3.49   2.232% *  0.0580% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 6 structures by 1.23 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.77, support = 1.11, residual support = 2.29:
          QD    PHE   55 - HA    LYS+ 112   6.30 +/- 2.43  40.202% * 60.8443% (0.95   1.11   0.79) =  53.753%  kept
          QE    PHE   95 - HA    LYS+ 112   4.35 +/- 1.04  57.067% * 36.8511% (0.57   1.12   4.03) =  46.214%  kept
          HE3   TRP   27 - HA    LYS+ 112  19.98 +/- 3.05   0.654% *  1.1396% (0.98   0.02   0.02) =   0.016%
          HN    THR   23 - HA    LYS+ 112  22.65 +/- 4.74   0.568% *  0.6117% (0.53   0.02   0.02) =   0.008%
          HN    LEU   67 - HA    LYS+ 112  15.67 +/- 1.72   1.122% *  0.2301% (0.20   0.02   0.02) =   0.006%
          HN    LYS+  81 - HA    LYS+ 112  21.75 +/- 3.00   0.387% *  0.3233% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 237.6:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.06  96.012% * 99.7200% (0.92  10.0   5.76 237.63) =  99.998%  kept
          HN    LYS+  74 - HA    LYS+ 112  16.75 +/- 4.56   1.238% *  0.0937% (0.87   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LYS+ 112  13.00 +/- 1.90   1.425% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LYS+ 112  13.32 +/- 1.78   1.165% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  31.74 +/- 6.80   0.160% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 237.6:
          HN    LYS+ 112 - HG2   LYS+ 112   3.83 +/- 0.48  92.402% * 98.9783% (0.41   6.23 237.63) =  99.971%  kept
          HN    ASP-  78 - HG2   LYS+ 112  17.68 +/- 4.28   2.377% *  0.5905% (0.76   0.02   0.02) =   0.015%
          HN    VAL   75 - HG2   LYS+ 112  15.45 +/- 4.19   4.798% *  0.2385% (0.31   0.02   0.02) =   0.013%
          HN    MET   11 - HG2   LYS+ 112  32.22 +/- 7.51   0.422% *  0.1927% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.715, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   7.59 +/- 1.57  32.578% * 30.2011% (0.90   0.02   0.02) =  45.275%  kept
          HN    PHE   59 - HG2   LYS+ 112   7.85 +/- 1.87  35.029% * 17.7173% (0.53   0.02   0.02) =  28.559%  kept
          QD    PHE   60 - HG2   LYS+ 112   9.30 +/- 2.81  23.728% * 15.0977% (0.45   0.02   0.02) =  16.485%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.45 +/- 2.11   6.324% * 31.0863% (0.92   0.02   0.02) =   9.046%  kept
          HN    LYS+  81 - HG2   LYS+ 112  22.20 +/- 3.94   2.341% *  5.8976% (0.18   0.02   0.02) =   0.635%  kept
    Distance limit 4.19 A violated in 15 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.6, residual support = 237.4:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.61 +/- 0.44  96.354% * 93.9398% (0.20  10.0 10.00   4.60 237.63) =  99.923%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.71 +/- 1.55   1.394% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.072%
          HG3   MET   96 - HG2   LYS+ 112  16.99 +/- 2.15   0.432% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HG2   LYS+ 112  13.47 +/- 2.97   1.448% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG2   LYS+ 112  22.62 +/- 2.60   0.182% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  28.62 +/- 4.67   0.116% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  30.89 +/- 2.62   0.074% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.64, residual support = 237.3:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.83 +/- 0.57  91.381% * 90.7364% (0.20  10.0 10.00   4.65 237.63) =  99.842%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.99 +/- 1.70   2.075% *  4.5444% (0.99   1.0 10.00   0.02   0.02) =   0.114%  kept
          HG3   MET   96 - HG3   LYS+ 112  16.11 +/- 1.92   0.815% *  3.7249% (0.69   1.0  1.00   0.24   0.02) =   0.037%
          HB3   PHE   45 - HG3   LYS+ 112  12.79 +/- 3.05   5.117% *  0.0907% (0.20   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  86 - HG3   LYS+ 112  21.86 +/- 2.66   0.311% *  0.3830% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG3   LYS+ 112  28.14 +/- 4.43   0.201% *  0.3149% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  30.44 +/- 2.71   0.099% *  0.2056% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.28, support = 1.58, residual support = 4.01:
          QE    PHE   95 - HG3   LYS+ 112   5.46 +/- 1.86  85.757% * 85.6094% (0.28   1.59   4.03) =  99.411%  kept
          HD1   TRP   49 - HG3   LYS+ 112  16.26 +/- 3.82   5.272% *  3.7284% (0.97   0.02   0.02) =   0.266%  kept
          HN    LEU   67 - HG3   LYS+ 112  16.27 +/- 1.82   4.827% *  2.6538% (0.69   0.02   0.02) =   0.173%  kept
          HD2   HIS   22 - HG3   LYS+ 112  23.62 +/- 6.51   1.605% *  3.8634% (1.00   0.02   0.02) =   0.084%
          HD21  ASN   35 - HG3   LYS+ 112  28.44 +/- 3.79   1.034% *  2.9525% (0.76   0.02   0.02) =   0.041%
          HN    THR   23 - HG3   LYS+ 112  23.35 +/- 5.45   1.505% *  1.1924% (0.31   0.02   0.02) =   0.024%
    Distance limit 4.33 A violated in 9 structures by 1.37 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 237.6:
          HN    LYS+ 112 - HG3   LYS+ 112   3.29 +/- 0.57  94.557% * 98.9262% (0.41   5.93 237.63) =  99.981%  kept
          HN    VAL   75 - HG3   LYS+ 112  15.06 +/- 4.25   4.158% *  0.2507% (0.31   0.02   0.02) =   0.011%
          HN    ASP-  78 - HG3   LYS+ 112  17.25 +/- 4.21   1.116% *  0.6207% (0.76   0.02   0.02) =   0.007%
          HN    MET   11 - HG3   LYS+ 112  32.22 +/- 7.22   0.170% *  0.2025% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 237.6:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.35 +/- 0.14  95.826% * 95.1769% (0.20  10.0  1.00   3.84 237.63) =  99.977%  kept
        T HG3   MET   96 - HD2   LYS+ 112  17.03 +/- 2.84   0.366% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.013%
          HB3   ASP-  62 - HD2   LYS+ 112  12.30 +/- 2.32   1.213% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PHE   45 - HD2   LYS+ 112  13.54 +/- 3.61   2.322% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HD2   LYS+ 112  22.48 +/- 3.10   0.143% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  28.97 +/- 5.49   0.085% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  31.27 +/- 3.07   0.044% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 237.6:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.79 +/- 0.20  94.602% * 99.7845% (0.85  10.0   5.70 237.63) =  99.994%  kept
          QB    ALA   47 - HD3   LYS+ 112  12.13 +/- 2.68   2.985% *  0.1053% (0.89   1.0   0.02   0.02) =   0.003%
          QG1   VAL   42 - HD3   LYS+ 112  12.26 +/- 2.59   2.413% *  0.1103% (0.94   1.0   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 237.6:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.38 +/- 0.15  97.106% * 98.0934% (0.19  10.0   3.30 237.63) =  99.992%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  12.35 +/- 2.19   0.943% *  0.4913% (0.94   1.0   0.02   0.02) =   0.005%
          HB3   PHE   45 - HD3   LYS+ 112  14.11 +/- 3.19   1.361% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HG3   MET   96 - HD3   LYS+ 112  17.41 +/- 2.40   0.326% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  23.09 +/- 2.94   0.132% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  29.08 +/- 5.24   0.083% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  31.47 +/- 2.86   0.048% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.6, residual support = 237.6:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.61 +/- 0.44  85.930% * 99.5374% (0.75  10.0 10.00   4.60 237.63) =  99.987%  kept
          QG1   VAL   42 - QE    LYS+ 112  10.29 +/- 2.86   4.283% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   47 - QE    LYS+ 112  10.49 +/- 2.59   2.585% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.71 +/- 1.55   1.242% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HB3   ASP-  62   9.21 +/- 1.33   4.856% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   47 - HB3   ASP-  62  14.13 +/- 2.21   1.105% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.06, residual support = 6.34:
          QD1   ILE   56 - QE    LYS+ 112   4.88 +/- 1.93  31.478% * 66.0659% (0.44   1.17   7.16) =  88.509%  kept
          QD2   LEU   73 - QE    LYS+ 112  12.85 +/- 5.47   9.423% * 16.5487% (0.67   0.19   0.02) =   6.637%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.55 +/- 1.50  15.207% *  4.0383% (0.09   0.35   0.02) =   2.614%  kept
          QG2   VAL   18 - HB3   ASP-  62  11.91 +/- 5.14   8.010% *  2.0046% (0.07   0.22   0.02) =   0.683%  kept
          QG2   THR   46 - HB3   ASP-  62  10.86 +/- 2.70   5.064% *  1.7463% (0.05   0.26   0.02) =   0.376%  kept
          QG2   THR   46 - QE    LYS+ 112   9.44 +/- 3.45  11.966% *  0.6610% (0.26   0.02   0.02) =   0.337%  kept
          QG2   VAL   18 - QE    LYS+ 112  15.61 +/- 4.33   7.955% *  0.8804% (0.34   0.02   0.02) =   0.298%  kept
          QD2   LEU   73 - HB3   ASP-  62  11.29 +/- 2.41   3.670% *  1.8498% (0.14   0.11   0.02) =   0.289%  kept
          QG1   VAL   43 - QE    LYS+ 112  12.76 +/- 2.55   1.755% *  1.3854% (0.54   0.02   0.02) =   0.103%  kept
          QG1   VAL   41 - QE    LYS+ 112  16.05 +/- 2.40   0.824% *  1.7888% (0.70   0.02   0.02) =   0.063%
          HG    LEU   31 - QE    LYS+ 112  21.08 +/- 4.56   0.380% *  1.9769% (0.77   0.02   0.02) =   0.032%
          QG1   VAL   43 - HB3   ASP-  62  13.40 +/- 1.22   2.283% *  0.2834% (0.11   0.02   0.02) =   0.028%
          QG1   VAL   41 - HB3   ASP-  62  14.97 +/- 1.46   1.369% *  0.3660% (0.14   0.02   0.02) =   0.021%
          HG    LEU   31 - HB3   ASP-  62  18.94 +/- 3.67   0.617% *  0.4045% (0.16   0.02   0.02) =   0.011%
    Distance limit 3.80 A violated in 4 structures by 0.55 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.64, residual support = 235.9:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.83 +/- 0.57  74.946% * 95.4408% (0.81  10.0 10.00   4.65 237.63) =  99.137%  kept
          HG    LEU   63 - HB3   ASP-  62   5.52 +/- 0.96  14.875% *  4.1362% (0.15   1.0  1.00   4.56  42.26) =   0.853%  kept
        T HG3   LYS+ 112 - HB3   ASP-  62  11.99 +/- 1.70   1.652% *  0.1953% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   63 - QE    LYS+ 112  11.57 +/- 2.46   2.664% *  0.0887% (0.75   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - QE    LYS+ 112  18.35 +/- 4.26   1.350% *  0.0756% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    LYS+ 112  10.62 +/- 1.48   1.906% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB3   ASP-  62  17.73 +/- 3.83   0.633% *  0.0155% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  16.71 +/- 2.46   0.628% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  15.82 +/- 2.09   0.679% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.88 +/- 3.57   0.668% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.496, support = 0.086, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   6.97 +/- 1.12  23.063% * 85.0633% (0.51 10.00   0.09   0.02) =  93.341%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.66 +/- 1.89  29.272% *  2.3067% (0.11  1.00   0.11   0.02) =   3.213%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.94 +/- 2.38  17.169% *  2.0695% (0.54  1.00   0.02   0.02) =   1.691%  kept
          QB    ALA   20 - QE    LYS+ 112  16.84 +/- 4.39   5.495% *  3.1919% (0.83  1.00   0.02   0.02) =   0.835%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.76 +/- 1.86   2.457% *  2.6720% (0.70  1.00   0.02   0.02) =   0.312%  kept
          QB    ALA   20 - HB3   ASP-  62  14.52 +/- 4.07   4.513% *  0.6531% (0.17  1.00   0.02   0.02) =   0.140%  kept
          HB3   LEU   31 - QE    LYS+ 112  21.54 +/- 4.03   1.447% *  1.9403% (0.51  1.00   0.02   0.02) =   0.134%  kept
          QG2   VAL  107 - HB3   ASP-  62  11.22 +/- 2.17   6.632% *  0.3970% (0.10  1.00   0.02   0.02) =   0.125%  kept
          HB3   LEU   31 - HB3   ASP-  62  19.31 +/- 3.89   4.777% *  0.3970% (0.10  1.00   0.02   0.02) =   0.090%
          HG2   LYS+ 121 - HB3   ASP-  62  14.29 +/- 2.15   2.398% *  0.5467% (0.14  1.00   0.02   0.02) =   0.062%
          HG13  ILE  103 - QE    LYS+ 112  17.63 +/- 2.29   1.661% *  0.6331% (0.17  1.00   0.02   0.02) =   0.050%
          HG13  ILE  103 - HB3   ASP-  62  19.47 +/- 2.82   1.115% *  0.1295% (0.03  1.00   0.02   0.02) =   0.007%
    Distance limit 3.22 A violated in 14 structures by 1.97 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 = 0.787, support = 1.09, residual support = 3.12:
          QE    PHE   95 - QE    LYS+ 112   5.53 +/- 2.44  30.381% * 65.2950% (0.82   1.28   4.03) =  71.904%  kept
          QD    PHE   55 - QE    LYS+ 112   5.91 +/- 2.37  26.593% * 28.3205% (0.72   0.63   0.79) =  27.299%  kept
          QE    PHE   95 - HB3   ASP-  62   9.01 +/- 2.07   7.706% *  1.1672% (0.17   0.11   0.02) =   0.326%  kept
          QD    PHE   55 - HB3   ASP-  62  11.72 +/- 1.71   5.554% *  0.8880% (0.15   0.10   0.02) =   0.179%  kept
          HN    THR   23 - HB3   ASP-  62  19.24 +/- 5.24   3.338% *  0.8755% (0.16   0.09   0.02) =   0.106%  kept
          HN    LEU   67 - HB3   ASP-  62   6.95 +/- 1.64  15.911% *  0.1377% (0.11   0.02   0.02) =   0.079%
          HN    LEU   67 - QE    LYS+ 112  14.33 +/- 2.60   1.487% *  0.6732% (0.54   0.02   0.02) =   0.036%
          HN    THR   23 - QE    LYS+ 112  20.98 +/- 5.52   0.557% *  1.0042% (0.81   0.02   0.02) =   0.020%
          HE3   TRP   27 - QE    LYS+ 112  18.85 +/- 4.19   0.570% *  0.8332% (0.67   0.02   0.02) =   0.017%
          HD1   TRP   49 - QE    LYS+ 112  14.73 +/- 3.49   0.988% *  0.3212% (0.26   0.02   0.02) =   0.011%
          HE3   TRP   27 - HB3   ASP-  62  16.68 +/- 3.28   1.086% *  0.1705% (0.14   0.02   0.02) =   0.007%
          HD2   HIS   22 - QE    LYS+ 112  21.03 +/- 6.37   0.816% *  0.2059% (0.17   0.02   0.02) =   0.006%
          HD2   HIS   22 - HB3   ASP-  62  19.10 +/- 5.63   3.827% *  0.0421% (0.03   0.02   0.02) =   0.006%
          HD1   TRP   49 - HB3   ASP-  62  18.28 +/- 4.39   1.186% *  0.0657% (0.05   0.02   0.02) =   0.003%
    Distance limit 3.89 A violated in 3 structures by 0.44 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.844, support = 3.2, residual support = 21.5:
          HN    GLU- 114 - QB    ASP- 113   2.68 +/- 0.29  78.549% * 73.1349% (0.84   3.35  22.81) =  93.707%  kept
          HN    GLN  116 - QB    ASP- 113   5.06 +/- 0.39  15.396% * 24.5692% (0.98   0.96   1.92) =   6.170%  kept
          HN    THR  118 - QB    ASP- 113   7.53 +/- 0.47   3.891% *  1.7655% (0.80   0.08   0.02) =   0.112%  kept
          HN    PHE   60 - QB    ASP- 113  11.14 +/- 1.70   1.852% *  0.2959% (0.57   0.02   0.02) =   0.009%
          HN    LEU   71 - QB    ASP- 113  19.34 +/- 3.09   0.312% *  0.2343% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.48, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.20 +/- 0.18  99.582% * 99.9821% (0.98  10.0   3.48  14.43) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.18 +/- 1.77   0.418% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.428, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   7.69 +/- 1.97  79.733% * 39.4133% (0.41 10.00   0.02   0.02) =  89.254%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.55 +/- 2.06   6.249% * 50.4393% (0.53 10.00   0.02   0.02) =   8.952%  kept
          HB    ILE   89 - HA    ASP- 113  20.78 +/- 2.13   5.956% *  8.8499% (0.92  1.00   0.02   0.02) =   1.497%  kept
          HB    VAL   43 - HA    ASP- 113  18.18 +/- 1.18   8.063% *  1.2975% (0.14  1.00   0.02   0.02) =   0.297%  kept
    Distance limit 3.76 A violated in 16 structures by 3.90 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 4.67, residual support = 51.8:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  35.224% * 52.1476% (0.84  10.0   3.90  44.07) =  73.939%  kept
      O   HN    GLN  116 - HA    LEU  115   3.59 +/- 0.06  16.764% * 28.1630% (0.45  10.0   7.89  98.87) =  19.005%  kept
          HN    GLN  116 - HA    GLU- 114   4.41 +/- 0.47  10.241% * 12.8790% (0.98   1.0   4.21   1.91) =   5.309%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.15   5.942% *  5.4307% (0.38   1.0   4.53  21.40) =   1.299%  kept
          HN    THR  118 - HA    GLU- 114   5.05 +/- 0.82   8.670% *  0.9120% (0.80   1.0   0.36   0.02) =   0.318%  kept
          HN    THR  118 - HA    LEU  115   3.50 +/- 0.39  19.856% *  0.1311% (0.37   1.0   0.11   0.02) =   0.105%  kept
          HN    PHE   60 - HA    LEU  115   7.95 +/- 1.03   2.222% *  0.2604% (0.26   1.0   0.32   0.02) =   0.023%
          HN    PHE   60 - HA    GLU- 114  11.74 +/- 1.06   0.534% *  0.0353% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  15.09 +/- 3.02   0.383% *  0.0129% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  18.97 +/- 3.22   0.165% *  0.0280% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.656, support = 6.28, residual support = 120.1:
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.05  27.293% * 65.8994% (0.90  10.0   4.86  21.40) =  50.481%  kept
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.05  57.053% * 30.3277% (0.41  10.0   7.80 224.55) =  48.564%  kept
          HN    ASP- 113 - HA    GLU- 114   5.14 +/- 0.15   9.243% *  3.6672% (0.28   1.0   3.59  22.81) =   0.951%  kept
          HN    PHE   97 - HA    GLU- 114  12.77 +/- 1.91   0.777% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  10.04 +/- 1.50   1.457% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.70 +/- 0.28   4.177% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.81, support = 4.27, residual support = 42.8:
      O   HN    GLU- 114 - QB    GLU- 114   2.23 +/- 0.23  81.647% * 75.9780% (0.81  10.0   4.27  44.07) =  96.982%  kept
          HN    GLN  116 - QB    GLU- 114   5.07 +/- 0.38   7.920% * 21.1983% (0.95   1.0   4.76   1.91) =   2.625%  kept
          HN    THR  118 - QB    GLU- 114   5.59 +/- 0.95   9.191% *  2.7314% (0.77   1.0   0.75   0.02) =   0.392%  kept
          HN    PHE   60 - QB    GLU- 114  10.58 +/- 1.07   0.980% *  0.0515% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  17.04 +/- 2.62   0.261% *  0.0408% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.827, support = 5.42, residual support = 21.5:
          HN    LEU  115 - QB    GLU- 114   3.20 +/- 0.36  70.593% * 84.6675% (0.87   5.57  21.40) =  93.636%  kept
          HN    ASP- 113 - QB    GLU- 114   4.52 +/- 0.36  26.980% * 15.0287% (0.27   3.19  22.81) =   6.352%  kept
          HN    PHE   97 - QB    GLU- 114  10.65 +/- 1.63   2.427% *  0.3038% (0.87   0.02   0.02) =   0.012%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.863, support = 4.3, residual support = 34.7:
          HN    GLU- 114 - QG    GLU- 114   2.78 +/- 0.57  66.651% * 47.0963% (0.83   4.46  44.07) =  77.932%  kept
          HN    GLN  116 - QG    GLU- 114   4.92 +/- 0.72  17.129% * 48.8532% (0.98   3.94   1.91) =  20.775%  kept
          HN    THR  118 - QG    GLU- 114   5.48 +/- 0.88  13.629% *  3.7942% (0.80   0.38   0.02) =   1.284%  kept
          HN    PHE   60 - QG    GLU- 114  10.14 +/- 1.09   1.977% *  0.1431% (0.56   0.02   0.02) =   0.007%
          HN    LEU   71 - QG    GLU- 114  16.34 +/- 2.97   0.614% *  0.1133% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.87, residual support = 21.4:
          HN    LEU  115 - QG    GLU- 114   2.85 +/- 0.97  94.044% * 98.5629% (0.45   5.88  21.40) =  99.977%  kept
          HN    PHE   97 - QG    GLU- 114   9.89 +/- 1.14   5.326% *  0.3355% (0.45   0.02   0.02) =   0.019%
          HN    ALA   12 - QG    GLU- 114  28.23 +/- 4.70   0.250% *  0.7079% (0.94   0.02   0.02) =   0.002%
          HN    ASN   35 - QG    GLU- 114  22.06 +/- 2.28   0.381% *  0.3937% (0.52   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.955, support = 1.07, residual support = 5.1:
          QG1   VAL  107 - QG    GLU- 114   3.62 +/- 0.88  68.271% * 59.1198% (0.98   1.12   5.90) =  85.575%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.57 +/- 1.57  17.977% * 36.8977% (0.83   0.82   0.33) =  14.063%  kept
          HG13  ILE  119 - QG    GLU- 114   9.45 +/- 1.55   4.902% *  2.5285% (0.22   0.21   0.02) =   0.263%  kept
          QG1   VAL   24 - QG    GLU- 114  17.95 +/- 4.69   3.643% *  0.9960% (0.92   0.02   0.02) =   0.077%
          QG2   VAL   24 - QG    GLU- 114  17.32 +/- 4.33   4.593% *  0.1890% (0.17   0.02   0.02) =   0.018%
          HB3   LEU   31 - QG    GLU- 114  19.61 +/- 3.39   0.614% *  0.2690% (0.25   0.02   0.02) =   0.004%
    Distance limit 3.30 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.73, residual support = 5.89:
        T QG2   VAL  107 - QB    GLU- 114   3.49 +/- 1.13  81.097% * 97.2219% (0.59 10.00   1.74   5.90) =  99.775%  kept
          HG13  ILE  119 - QB    GLU- 114   9.72 +/- 1.14   6.995% *  2.2912% (0.62  1.00   0.38   0.02) =   0.203%  kept
          QB    ALA   20 - QB    GLU- 114  17.67 +/- 3.75   5.262% *  0.1842% (0.96  1.00   0.02   0.02) =   0.012%
          HG2   LYS+ 121 - QB    GLU- 114  10.56 +/- 1.87   4.011% *  0.1542% (0.81  1.00   0.02   0.02) =   0.008%
          HB3   LEU   31 - QB    GLU- 114  20.30 +/- 3.33   0.769% *  0.1120% (0.59  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  14.09 +/- 2.18   1.867% *  0.0365% (0.19  1.00   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 3 structures by 0.65 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.908, support = 6.55, residual support = 218.1:
      O T HA    LEU  115 - HB3   LEU  115   2.37 +/- 0.22  75.400% * 66.5643% (0.92  10.0 10.00   6.63 224.55) =  96.849%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.25 +/- 0.35   5.027% * 32.3284% (0.45   1.0 10.00   3.83  21.40) =   3.136%  kept
        T HA    ARG+  54 - HB3   LEU  115  11.69 +/- 1.88   0.881% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   34 - HB3   LEU   40   7.22 +/- 1.95  12.981% *  0.0068% (0.09   1.0  1.00   0.02   0.55) =   0.002%
        T HA    LEU  115 - HB3   LEU   40  15.48 +/- 2.86   0.698% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB3   LEU  115  17.14 +/- 1.59   0.315% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  20.92 +/- 3.38   0.226% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  21.73 +/- 3.46   0.168% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  19.10 +/- 2.92   0.264% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  20.90 +/- 1.43   0.130% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  12.49 +/- 2.45   0.809% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  16.81 +/- 7.05   0.780% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.90 +/- 1.55   0.106% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  15.89 +/- 2.16   0.303% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.15 +/- 2.53   0.156% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  12.63 +/- 2.04   0.615% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  23.29 +/- 3.65   0.131% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  11.83 +/- 2.03   0.830% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  25.91 +/- 1.81   0.071% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.20 +/- 2.55   0.110% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 224.5:
      O T QD1   LEU  115 - HB3   LEU  115   2.52 +/- 0.36  95.811% * 99.7570% (0.87  10.0 10.00   6.42 224.55) =  99.996%  kept
          QG1   VAL   75 - HB3   LEU  115  10.64 +/- 1.61   1.735% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  115 - HB3   LEU   40  13.65 +/- 2.69   1.061% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  11.36 +/- 1.41   1.392% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.53, residual support = 223.8:
      O T QD2   LEU  115 - HB3   LEU  115   2.68 +/- 0.41  53.426% * 96.4157% (0.45  10.0 10.00   7.55 224.55) =  99.655%  kept
          QG2   VAL   41 - HB3   LEU   40   6.13 +/- 0.51   5.939% *  1.9656% (0.04   1.0  1.00   4.15  21.05) =   0.226%  kept
          QD1   LEU   63 - HB3   LEU  115   7.46 +/- 2.31   5.166% *  0.7313% (0.80   1.0  1.00   0.08   0.02) =   0.073%
          QD1   LEU   73 - HB3   LEU  115  12.57 +/- 4.86   7.865% *  0.1722% (0.80   1.0  1.00   0.02   0.02) =   0.026%
          QD2   LEU   63 - HB3   LEU  115   8.85 +/- 1.73   2.218% *  0.1985% (0.92   1.0  1.00   0.02   0.02) =   0.009%
        T QD2   LEU  115 - HB3   LEU   40  13.13 +/- 3.19   1.184% *  0.1131% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HB3   LEU   40   8.50 +/- 1.99   5.348% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   LEU   40   8.06 +/- 2.12   3.852% *  0.0233% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HB3   LEU   40   9.01 +/- 1.64   2.268% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  13.40 +/- 1.49   0.517% *  0.0807% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40   7.46 +/- 1.78   6.923% *  0.0056% (0.03   1.0  1.00   0.02   9.25) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  12.88 +/- 1.61   0.759% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  17.13 +/- 2.68   0.328% *  0.0884% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU  115  13.72 +/- 1.76   0.583% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB3   LEU  115  17.29 +/- 3.14   0.354% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU   40   8.44 +/- 1.43   2.487% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.70 +/- 3.93   0.402% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.69 +/- 4.11   0.378% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 7.55, residual support = 84.6:
          HN    GLN  116 - HB3   LEU  115   3.92 +/- 0.47  28.812% * 67.6660% (0.98   8.54  98.87) =  83.125%  kept
          HN    GLU- 114 - HB3   LEU  115   5.51 +/- 0.59  11.823% * 22.4209% (0.84   3.32  21.40) =  11.302%  kept
          HN    THR  118 - HB3   LEU  115   5.38 +/- 0.47  11.180% *  7.9442% (0.80   1.23   0.02) =   3.787%  kept
          HN    LEU   71 - HB3   LEU   40   3.70 +/- 1.29  37.256% *  0.9129% (0.05   2.15   1.96) =   1.450%  kept
          HN    PHE   60 - HB3   LEU  115   6.68 +/- 0.99   8.459% *  0.9232% (0.57   0.20   0.02) =   0.333%  kept
          HN    LEU   71 - HB3   LEU  115  15.04 +/- 2.86   0.618% *  0.0725% (0.45   0.02   0.02) =   0.002%
          HN    THR  118 - HB3   LEU   40  15.07 +/- 3.89   0.660% *  0.0152% (0.09   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.40 +/- 3.24   0.370% *  0.0186% (0.12   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  14.64 +/- 2.33   0.590% *  0.0107% (0.07   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  19.87 +/- 2.57   0.232% *  0.0158% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 7.52, residual support = 224.2:
      O   HN    LEU  115 - HB3   LEU  115   3.06 +/- 0.42  83.980% * 98.4064% (0.90  10.0   7.54 224.55) =  99.822%  kept
          HN    ASP- 113 - HB3   LEU  115   6.32 +/- 0.76   9.829% *  1.4685% (0.28   1.0   0.96   0.02) =   0.174%  kept
          HN    PHE   97 - HB3   LEU  115  10.68 +/- 1.16   2.519% *  0.0984% (0.90   1.0   0.02   0.02) =   0.003%
          HN    PHE   97 - HB3   LEU   40  10.55 +/- 1.38   2.787% *  0.0115% (0.11   1.0   0.02   1.60) =   0.000%
          HN    LEU  115 - HB3   LEU   40  17.76 +/- 2.70   0.575% *  0.0115% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.10 +/- 2.65   0.311% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 0.749, residual support = 2.13:
        T HA    LYS+ 112 - HB2   LEU  115   2.98 +/- 0.91  89.622% * 95.9364% (0.69 10.00   0.75   2.13) =  99.913%  kept
          HB2   HIS  122 - HB2   LEU  115  13.16 +/- 1.02   1.730% *  3.8368% (0.41  1.00   0.50   0.02) =   0.077%
          HB2   HIS   22 - HB2   LEU  115  22.14 +/- 5.54   3.192% *  0.1531% (0.41  1.00   0.02   0.02) =   0.006%
          HB    THR   46 - HB2   LEU  115  11.57 +/- 2.70   5.457% *  0.0737% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 3.79 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 1.54, residual support = 6.87:
          QE    PHE   95 - HB2   LEU  115   3.26 +/- 0.58  81.728% * 47.6301% (0.98   1.50   7.60) =  86.100%  kept
          QD    PHE   55 - HB2   LEU  115   7.88 +/- 2.08  12.407% * 50.4786% (0.87   1.80   2.36) =  13.852%  kept
          HN    THR   23 - HB2   LEU  115  21.18 +/- 4.58   1.102% *  0.6253% (0.97   0.02   0.02) =   0.015%
          HN    LEU   67 - HB2   LEU  115  14.30 +/- 1.88   1.521% *  0.4191% (0.65   0.02   0.02) =   0.014%
          HE3   TRP   27 - HB2   LEU  115  18.15 +/- 2.86   0.905% *  0.5188% (0.80   0.02   0.02) =   0.010%
          HD2   HIS   22 - HB2   LEU  115  21.52 +/- 5.33   1.530% *  0.1282% (0.20   0.02   0.02) =   0.004%
          HD1   TRP   49 - HB2   LEU  115  17.14 +/- 2.36   0.806% *  0.2000% (0.31   0.02   0.02) =   0.004%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 7.23, residual support = 91.8:
          HN    GLN  116 - HB2   LEU  115   3.37 +/- 0.55  53.637% * 80.4651% (0.80   7.57  98.87) =  90.950%  kept
          HN    GLU- 114 - HB2   LEU  115   4.67 +/- 0.42  22.836% * 18.0775% (0.34   3.99  21.40) =   8.700%  kept
          HN    THR  118 - HB2   LEU  115   5.65 +/- 0.38  12.603% *  1.0975% (0.98   0.08   0.02) =   0.291%  kept
          HN    PHE   60 - HB2   LEU  115   7.16 +/- 1.15  10.734% *  0.2602% (0.98   0.02   0.02) =   0.059%
          HN    GLU-  15 - HB2   LEU  115  24.67 +/- 3.22   0.189% *  0.0996% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.32, residual support = 223.9:
      O   HN    LEU  115 - HB2   LEU  115   2.32 +/- 0.37  90.638% * 96.9620% (0.90  10.0   7.34 224.55) =  99.724%  kept
          HN    ASP- 113 - HB2   LEU  115   5.33 +/- 0.72   8.233% *  2.9411% (0.28   1.0   1.96   0.02) =   0.275%  kept
          HN    PHE   97 - HB2   LEU  115  11.47 +/- 1.19   1.129% *  0.0970% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.607, support = 6.4, residual support = 76.1:
      O   HN    GLN  116 - HA    LEU  115   3.59 +/- 0.06  16.324% * 66.4735% (0.82  10.0   7.89  98.87) =  62.410%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.05  34.297% * 15.4984% (0.19  10.0   3.90  44.07) =  30.572%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.15   5.786% * 12.8180% (0.70   1.0   4.53  21.40) =   4.265%  kept
          HN    GLN  116 - HA    GLU- 114   4.41 +/- 0.47   9.974% *  3.8277% (0.22   1.0   4.21   1.91) =   2.196%  kept
          HN    THR  118 - HA    LEU  115   3.50 +/- 0.39  19.335% *  0.3095% (0.67   1.0   0.11   0.02) =   0.344%  kept
          HN    THR  118 - HA    GLU- 114   5.05 +/- 0.82   8.444% *  0.2711% (0.18   1.0   0.36   0.02) =   0.132%  kept
          HN    PHE   60 - HA    LEU  115   7.95 +/- 1.03   2.164% *  0.6146% (0.47   1.0   0.32   0.02) =   0.077%
          HN    PHE   60 - HA    ARG+  54   8.86 +/- 1.35   1.418% *  0.0215% (0.27   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    ARG+  54  12.87 +/- 1.97   0.477% *  0.0373% (0.46   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  15.09 +/- 3.02   0.372% *  0.0304% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  13.91 +/- 1.68   0.328% *  0.0318% (0.39   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  15.55 +/- 1.96   0.259% *  0.0304% (0.37   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  11.74 +/- 1.06   0.519% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  20.26 +/- 3.80   0.141% *  0.0170% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  18.97 +/- 3.22   0.160% *  0.0083% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.685, support = 7.45, residual support = 200.6:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.05  55.960% * 77.4168% (0.75  10.0   7.80 224.55) =  88.229%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.05  26.769% * 21.1816% (0.20  10.0   4.86  21.40) =  11.548%  kept
          HN    ASP- 113 - HA    GLU- 114   5.14 +/- 0.15   9.066% *  1.1787% (0.06   1.0   3.59  22.81) =   0.218%  kept
          HN    PHE   97 - HA    LEU  115  10.04 +/- 1.50   1.430% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HA    LEU  115   6.70 +/- 0.28   4.097% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  12.81 +/- 1.60   0.687% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ARG+  54  19.12 +/- 3.26   0.421% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.77 +/- 1.91   0.762% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  12.59 +/- 1.99   0.810% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 7.38, residual support = 222.5:
          HN    LEU  115 - HG    LEU  115   3.72 +/- 0.92  70.016% * 94.8353% (0.78   7.44 224.55) =  99.104%  kept
          HN    ASP- 113 - HG    LEU  115   6.30 +/- 1.42  15.309% *  2.8345% (0.24   0.72   0.02) =   0.648%  kept
          HN    PHE   97 - HG    LEU   40   9.94 +/- 1.95   7.773% *  1.9621% (0.26   0.45   1.60) =   0.228%  kept
          HN    PHE   97 - HG    LEU  115  11.81 +/- 1.90   5.062% *  0.2548% (0.78   0.02   0.02) =   0.019%
          HN    LEU  115 - HG    LEU   40  16.96 +/- 2.19   1.171% *  0.0865% (0.26   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG    LEU   40  20.28 +/- 2.27   0.669% *  0.0268% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115   9.66 +/- 1.59 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.93 A violated in 19 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.704, support = 1.49, residual support = 5.69:
          QE    PHE   95 - QD1   LEU  115   2.85 +/- 0.84  69.910% * 37.3959% (0.57   1.50   7.60) =  63.625%  kept
          QD    PHE   55 - QD1   LEU  115   6.13 +/- 1.92  24.532% * 60.8583% (0.95   1.46   2.36) =  36.334%  kept
          HE3   TRP   27 - QD1   LEU  115  15.10 +/- 2.54   0.766% *  0.8633% (0.98   0.02   0.02) =   0.016%
          HN    LEU   67 - QD1   LEU  115  10.80 +/- 1.87   3.737% *  0.1743% (0.20   0.02   0.02) =   0.016%
          HN    THR   23 - QD1   LEU  115  17.58 +/- 3.50   0.628% *  0.4634% (0.53   0.02   0.02) =   0.007%
          HN    LYS+  81 - QD1   LEU  115  17.64 +/- 2.28   0.428% *  0.2449% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.19 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.43, residual support = 28.1:
          QD    PHE   59 - QD1   LEU  115   2.95 +/- 0.76  91.908% * 98.7079% (0.95   4.44  28.10) =  99.962%  kept
          HD1   TRP   27 - QD1   LEU  115  17.28 +/- 3.66   4.357% *  0.4451% (0.95   0.02   0.02) =   0.021%
          HH2   TRP   49 - QD1   LEU  115  12.25 +/- 2.14   2.490% *  0.3930% (0.84   0.02   0.02) =   0.011%
          HE21  GLN   30 - QD1   LEU  115  16.64 +/- 3.05   1.244% *  0.4540% (0.97   0.02   0.02) =   0.006%
    Distance limit 3.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.38, residual support = 7.59:
          QD    PHE   95 - QD2   LEU  115   4.46 +/- 1.10  90.583% * 99.5367% (0.84   1.38   7.60) =  99.952%  kept
          HN    ALA   47 - QD2   LEU  115  11.64 +/- 1.88   9.417% *  0.4633% (0.27   0.02   0.02) =   0.048%
    Distance limit 3.53 A violated in 5 structures by 1.08 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.63, residual support = 27.9:
          QE    PHE   59 - QD2   LEU  115   3.01 +/- 0.82  62.054% * 77.8482% (0.89   2.84  28.10) =  90.695%  kept
          HN    PHE   59 - QD2   LEU  115   4.93 +/- 1.77  31.223% * 14.9505% (0.93   0.52  28.10) =   8.764%  kept
          HN    HIS  122 - QD2   LEU  115   8.22 +/- 1.01   4.197% *  6.7124% (0.43   0.50   0.02) =   0.529%  kept
          HN    LYS+  66 - QD2   LEU  115  10.44 +/- 1.47   1.934% *  0.2662% (0.43   0.02   0.02) =   0.010%
          HH2   TRP   87 - QD2   LEU  115  17.00 +/- 3.46   0.592% *  0.2228% (0.36   0.02   0.02) =   0.002%
    Distance limit 2.95 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.89, residual support = 15.6:
        T QD1   ILE  119 - HA    GLN  116   2.98 +/- 1.01  84.322% * 99.5742% (0.61 10.00   3.89  15.63) =  99.989%  kept
          QD2   LEU   40 - HA    GLN  116  12.92 +/- 2.75   3.577% *  0.0616% (0.38  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HA    GLN  116  15.14 +/- 1.53   1.288% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    GLN  116  12.25 +/- 2.27   3.129% *  0.0560% (0.34  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HA    GLN  116  14.91 +/- 2.61   1.748% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  13.40 +/- 1.96   2.007% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  12.13 +/- 1.10   2.379% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  16.55 +/- 4.04   1.550% *  0.0288% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 1 structures by 0.27 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 6.13, residual support = 96.9:
          QD2   LEU  115 - HA    GLN  116   2.77 +/- 1.09  64.886% * 90.9120% (0.92   6.25  98.87) =  97.959%  kept
          QD1   LEU   63 - HA    GLN  116   7.47 +/- 2.04  17.524% *  5.8650% (0.98   0.38   0.02) =   1.707%  kept
          QD1   LEU   73 - HA    GLN  116  14.01 +/- 4.96   7.410% *  2.5042% (0.98   0.16   0.02) =   0.308%  kept
          QD2   LEU   63 - HA    GLN  116   8.44 +/- 1.77   8.089% *  0.1413% (0.45   0.02   0.02) =   0.019%
          QD1   LEU  104 - HA    GLN  116  13.48 +/- 2.42   1.267% *  0.2164% (0.69   0.02   0.02) =   0.005%
          QD2   LEU   80 - HA    GLN  116  19.65 +/- 2.79   0.390% *  0.2826% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    GLN  116  19.00 +/- 2.87   0.433% *  0.0786% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.03, residual support = 15.6:
          HN    ILE  119 - HA    GLN  116   3.22 +/- 0.25  97.721% * 97.6403% (0.57   3.03  15.63) =  99.981%  kept
          HN    CYS   21 - HA    GLN  116  19.39 +/- 5.06   1.262% *  1.1000% (0.97   0.02   0.02) =   0.015%
          HN    LYS+  33 - HA    GLN  116  22.88 +/- 3.19   0.360% *  0.6453% (0.57   0.02   0.02) =   0.002%
          HN    ILE   89 - HA    GLN  116  22.44 +/- 1.98   0.318% *  0.3888% (0.34   0.02   0.02) =   0.001%
          HN    SER   37 - HA    GLN  116  23.22 +/- 3.08   0.339% *  0.2256% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 6.67, residual support = 115.6:
      O   HN    GLN  116 - HA    GLN  116   2.73 +/- 0.06  67.309% * 88.6716% (0.98  10.0   6.82 119.68) =  96.558%  kept
          HN    THR  118 - HA    GLN  116   4.07 +/- 0.45  22.110% *  9.2099% (0.80   1.0   2.54   0.13) =   3.294%  kept
          HN    GLU- 114 - HA    GLN  116   6.87 +/- 0.24   4.338% *  2.0267% (0.84   1.0   0.54   1.91) =   0.142%  kept
          HN    PHE   60 - HA    GLN  116   7.42 +/- 1.72   5.389% *  0.0512% (0.57   1.0   0.02   0.02) =   0.004%
          HN    LEU   71 - HA    GLN  116  15.39 +/- 3.78   0.854% *  0.0406% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.484, support = 0.701, residual support = 1.77:
          HA    ASP- 113 - HB2   GLN  116   3.34 +/- 0.67  82.135% * 37.9517% (0.49  1.00   0.75   1.92) =  92.355%  kept
        T HA    PRO   58 - HB2   GLN  116  10.11 +/- 1.72   4.512% * 51.5259% (0.41 10.00   0.12   0.02) =   6.889%  kept
          HA    ILE   56 - HB2   GLN  116   8.79 +/- 2.51   9.064% *  2.0066% (0.97  1.00   0.02   0.02) =   0.539%  kept
          HA    LEU  123 - HB2   GLN  116  12.42 +/- 0.69   2.166% *  2.0746% (1.00  1.00   0.02   0.02) =   0.133%  kept
          HA    LYS+  99 - HB2   GLN  116  20.51 +/- 2.09   0.540% *  1.7367% (0.84  1.00   0.02   0.02) =   0.028%
          HA    LEU   40 - HB2   GLN  116  19.28 +/- 3.09   0.731% *  1.1771% (0.57  1.00   0.02   0.02) =   0.026%
          HA    ASN   35 - HB2   GLN  116  25.21 +/- 3.86   0.318% *  1.9668% (0.95  1.00   0.02   0.02) =   0.019%
          HA    GLU-  15 - HB2   GLN  116  24.31 +/- 3.00   0.295% *  0.7803% (0.38  1.00   0.02   0.02) =   0.007%
          HA    SER   13 - HB2   GLN  116  27.14 +/- 4.86   0.238% *  0.7803% (0.38  1.00   0.02   0.02) =   0.006%
    Distance limit 3.81 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.454, support = 6.84, residual support = 97.6:
          QD2   LEU  115 - HB2   GLN  116   3.65 +/- 1.29  60.237% * 90.9524% (0.45   6.93  98.87) =  98.728%  kept
          QD2   LEU   63 - HB2   GLN  116  10.41 +/- 1.67   7.874% *  7.2583% (0.92   0.27   0.02) =   1.030%  kept
          QD1   LEU   63 - HB2   GLN  116   9.38 +/- 1.94  14.787% *  0.4688% (0.80   0.02   0.02) =   0.125%  kept
          QD1   LEU   73 - HB2   GLN  116  15.51 +/- 5.23  11.996% *  0.4688% (0.80   0.02   0.02) =   0.101%  kept
          QG2   VAL   41 - HB2   GLN  116  16.66 +/- 1.69   1.208% *  0.2198% (0.38   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB2   GLN  116  14.94 +/- 2.20   1.519% *  0.1304% (0.22   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB2   GLN  116  20.64 +/- 3.02   0.705% *  0.2407% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   98 - HB2   GLN  116  16.97 +/- 1.67   0.973% *  0.1304% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  20.85 +/- 3.54   0.700% *  0.1304% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.04 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 6.85, residual support = 97.5:
          QD2   LEU  115 - HG2   GLN  116   4.02 +/- 1.21  57.000% * 94.7375% (1.00   6.94  98.87) =  98.572%  kept
          QD1   LEU   63 - HG2   GLN  116   9.03 +/- 2.36  17.079% *  4.3273% (0.84   0.38   0.02) =   1.349%  kept
          QD1   LEU   73 - HG2   GLN  116  15.29 +/- 5.34  13.770% *  0.2279% (0.84   0.02   0.02) =   0.057%
          QD2   LEU   63 - HG2   GLN  116   9.93 +/- 2.33   9.787% *  0.0680% (0.25   0.02   0.02) =   0.012%
          QD1   LEU  104 - HG2   GLN  116  14.95 +/- 2.43   1.255% *  0.2447% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   80 - HG2   GLN  116  20.68 +/- 2.66   0.570% *  0.2722% (1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG2   GLN  116  19.96 +/- 2.67   0.539% *  0.1223% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.47, residual support = 119.5:
      O   HE21  GLN  116 - HG2   GLN  116   2.80 +/- 0.71  78.171% * 99.1627% (0.65  10.0   4.47 119.68) =  99.878%  kept
          HN    ALA  120 - HG2   GLN  116   5.67 +/- 0.97  16.096% *  0.5489% (0.28   1.0   0.26   0.20) =   0.114%  kept
          HN    ALA   57 - HG2   GLN  116   9.72 +/- 2.55   5.440% *  0.1113% (0.73   1.0   0.02   0.02) =   0.008%
          HE21  GLN   90 - HG2   GLN  116  25.68 +/- 2.03   0.158% *  0.1503% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  26.56 +/- 4.02   0.134% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 6.91, residual support = 114.1:
          HN    GLN  116 - HG2   GLN  116   3.41 +/- 0.70  63.492% * 84.6917% (0.80   7.21 119.68) =  95.336%  kept
          HN    THR  118 - HG2   GLN  116   5.64 +/- 0.85  19.306% * 12.2045% (0.98   0.85   0.13) =   4.177%  kept
          HN    GLU- 114 - HG2   GLN  116   6.76 +/- 0.98   9.327% *  2.7059% (0.34   0.54   1.91) =   0.447%  kept
          HN    PHE   60 - HG2   GLN  116   8.75 +/- 2.28   7.638% *  0.2878% (0.98   0.02   0.02) =   0.039%
          HN    GLU-  15 - HG2   GLN  116  24.90 +/- 3.34   0.238% *  0.1102% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HB2   GLN  116   7.44 +/- 0.68  43.629% * 15.3326% (0.76   0.02   0.02) =  53.896%  kept
          QD    PHE   55 - HB2   GLN  116   9.10 +/- 3.30  31.852% *  6.8436% (0.34   0.02   0.02) =  17.563%  kept
          HN    LEU   67 - HB2   GLN  116  15.49 +/- 1.90   6.137% * 20.0629% (1.00   0.02   0.02) =   9.921%  kept
          HD2   HIS   22 - HB2   GLN  116  23.48 +/- 6.83   7.100% * 13.7814% (0.69   0.02   0.02) =   7.884%  kept
          HN    THR   23 - HB2   GLN  116  23.34 +/- 5.97   3.805% * 16.0651% (0.80   0.02   0.02) =   4.924%  kept
          HD1   TRP   49 - HB2   GLN  116  20.53 +/- 3.27   2.722% * 16.7579% (0.84   0.02   0.02) =   3.675%  kept
          HE3   TRP   27 - HB2   GLN  116  20.57 +/- 3.61   3.263% *  5.5782% (0.28   0.02   0.02) =   1.466%  kept
          HD21  ASN   35 - HB2   GLN  116  26.78 +/- 4.25   1.492% *  5.5782% (0.28   0.02   0.02) =   0.671%  kept
    Distance limit 3.87 A violated in 18 structures by 2.83 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.34, residual support = 118.7:
      O   HN    GLN  116 - HB2   GLN  116   2.19 +/- 0.16  84.567% * 89.8333% (0.98  10.0   7.39 119.68) =  99.168%  kept
          HN    GLU- 114 - HB2   GLN  116   5.31 +/- 0.35   6.352% *  6.4045% (0.84   1.0   1.67   1.91) =   0.531%  kept
          HN    THR  118 - HB2   GLN  116   5.43 +/- 0.28   6.245% *  3.6693% (0.80   1.0   1.00   0.13) =   0.299%  kept
          HN    PHE   60 - HB2   GLN  116   8.90 +/- 2.07   2.489% *  0.0519% (0.57   1.0   0.02   0.02) =   0.002%
          HN    LEU   71 - HB2   GLN  116  17.80 +/- 3.64   0.346% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.92, residual support = 28.7:
          HN    SER  117 - HB2   GLN  116   3.42 +/- 0.38  99.194% * 99.5636% (0.98   4.92  28.70) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  23.35 +/- 3.11   0.418% *  0.3446% (0.84   0.02   0.02) =   0.001%
          HN    SER   82 - HB2   GLN  116  26.02 +/- 3.44   0.388% *  0.0918% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.92, residual support = 28.7:
      O   HN    SER  117 - HA    GLN  116   3.56 +/- 0.04  99.117% * 99.8922% (0.98  10.0   4.92  28.70) =  99.999%  kept
          HN    GLY   16 - HA    GLN  116  21.16 +/- 3.15   0.545% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  25.19 +/- 3.18   0.338% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.92, support = 2.02, residual support = 5.26:
        T QB    ALA  120 - HA    SER  117   3.21 +/- 0.67  71.118% * 88.9259% (0.92 10.00   2.03   5.30) =  98.875%  kept
          HG    LEU  115 - HA    SER  117   7.80 +/- 0.66   6.657% *  6.5199% (0.92  1.00   1.47   2.24) =   0.679%  kept
          HB3   LEU  115 - HA    SER  117   7.99 +/- 0.30   5.783% *  3.2583% (0.38  1.00   1.80   2.24) =   0.295%  kept
          HD2   LYS+ 121 - HA    SER  117   6.90 +/- 1.93  11.948% *  0.7765% (0.18  1.00   0.92   0.02) =   0.145%  kept
        T QG2   THR   26 - HA    SER  117  19.88 +/- 4.75   1.009% *  0.2678% (0.28 10.00   0.02   0.02) =   0.004%
          HB3   LEU   40 - HA    SER  117  17.34 +/- 4.25   0.736% *  0.0963% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    SER  117  17.68 +/- 2.62   0.713% *  0.0469% (0.49  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    SER  117  19.92 +/- 3.91   0.660% *  0.0507% (0.53  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    SER  117  16.39 +/- 3.60   0.861% *  0.0362% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.29 +/- 2.08   0.514% *  0.0214% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.563, support = 1.85, residual support = 23.4:
          HE21  GLN  116 - HA    SER  117   5.13 +/- 2.08  40.388% * 81.1460% (0.65   2.10  28.70) =  77.310%  kept
          HN    ALA  120 - HA    SER  117   3.73 +/- 0.34  57.850% * 16.6045% (0.28   1.00   5.30) =  22.659%  kept
          HN    ALA   57 - HA    SER  117  13.34 +/- 1.63   1.247% *  0.8682% (0.73   0.02   0.02) =   0.026%
          HE21  GLN   90 - HA    SER  117  27.79 +/- 1.97   0.146% *  1.1719% (0.98   0.02   0.02) =   0.004%
          HD21  ASN   35 - HA    SER  117  24.94 +/- 5.21   0.369% *  0.2094% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.82 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 = 3.66, residual support = 15.4:
      O   HN    SER  117 - HA    SER  117   2.75 +/- 0.05  99.148% * 99.9049% (0.57  10.0   3.66  15.43) = 100.000%  kept
          HN    ALA   20 - HA    SER  117  22.01 +/- 5.60   0.640% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER  117  22.47 +/- 2.81   0.212% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.291, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  11.27 +/- 2.08   6.843% * 14.4446% (0.49   0.02   0.02) =  18.573%  kept
          QD    PHE   60 - QB    SER  117  10.68 +/- 1.88   7.701% * 12.2000% (0.41   0.02   0.02) =  17.652%  kept
          QE    PHE   95 - QB    SER  117   7.56 +/- 1.05  18.102% *  4.5788% (0.15   0.02   0.02) =  15.574%  kept
          HN    LYS+  81 - QB    SER   85   7.19 +/- 0.63  19.912% *  3.4992% (0.12   0.02   0.02) =  13.092%  kept
          HN    LYS+  81 - QB    SER   48  12.54 +/- 3.84   8.153% *  5.8981% (0.20   0.02   0.02) =   9.035%  kept
          QD    PHE   60 - QB    SER   48  10.93 +/- 3.55  12.647% *  3.1728% (0.11   0.02   0.02) =   7.540%  kept
          HE3   TRP   27 - QB    SER  117  17.79 +/- 3.84   1.843% * 16.8009% (0.57   0.02   0.02) =   5.819%  kept
          QD    PHE   55 - QB    SER   48  12.66 +/- 1.91   4.041% *  3.7566% (0.13   0.02   0.02) =   2.852%  kept
          HN    LYS+  81 - QB    SER  117  23.44 +/- 2.92   0.619% * 22.6789% (0.76   0.02   0.02) =   2.637%  kept
          QD    PHE   60 - QB    SER   85  16.97 +/- 3.78   6.380% *  1.8824% (0.06   0.02   0.02) =   2.256%  kept
          HE3   TRP   27 - QB    SER   48  18.11 +/- 4.89   1.869% *  4.3694% (0.15   0.02   0.02) =   1.535%  kept
          QE    PHE   95 - QB    SER   48  11.83 +/- 2.37   5.887% *  1.1908% (0.04   0.02   0.02) =   1.317%  kept
          HE3   TRP   27 - QB    SER   85  19.97 +/- 5.99   2.331% *  2.5923% (0.09   0.02   0.02) =   1.136%  kept
          QD    PHE   55 - QB    SER   85  18.41 +/- 3.53   1.734% *  2.2287% (0.08   0.02   0.02) =   0.726%  kept
          QE    PHE   95 - QB    SER   85  15.89 +/- 2.03   1.937% *  0.7065% (0.02   0.02   0.02) =   0.257%  kept
    Distance limit 3.93 A violated in 16 structures by 1.78 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.99, residual support = 43.1:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.99  43.06) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.78, support = 2.37, residual support = 19.2:
          QG1   VAL  107 - HB    THR  118   3.88 +/- 2.42  52.564% * 46.6395% (0.98   1.41   2.97) =  68.613%  kept
          HG13  ILE  119 - HB    THR  118   5.63 +/- 0.86  23.013% * 40.0413% (0.22   5.34  66.63) =  25.789%  kept
          QG1   VAL   24 - HB    THR  118  17.73 +/- 5.73  17.584% * 10.9548% (0.92   0.35   0.02) =   5.391%  kept
          QG2   VAL   24 - HB    THR  118  17.06 +/- 4.95   3.538% *  1.6336% (0.18   0.28   0.02) =   0.162%  kept
          HD3   LYS+ 112 - HB    THR  118  10.75 +/- 1.59   2.604% *  0.5628% (0.84   0.02   0.02) =   0.041%
          HB3   LEU   31 - HB    THR  118  18.02 +/- 4.18   0.697% *  0.1680% (0.25   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.54, support = 1.71, residual support = 11.0:
          QE    PHE   59 - HB    THR  118   2.91 +/- 0.78  83.657% * 33.2686% (0.45   1.80  12.35) =  80.403%  kept
          HN    HIS  122 - HB    THR  118   7.00 +/- 0.32  11.530% * 55.1094% (0.92   1.45   5.08) =  18.357%  kept
          HN    PHE   59 - HB    THR  118   8.75 +/- 1.01   3.872% * 10.9055% (0.84   0.32  12.35) =   1.220%  kept
          HH2   TRP   87 - HB    THR  118  19.84 +/- 5.42   0.941% *  0.7165% (0.87   0.02   0.02) =   0.019%
    Distance limit 4.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 3.69, residual support = 43.0:
      O   HN    THR  118 - HB    THR  118   2.15 +/- 0.16  89.358% * 95.5037% (0.98  10.0   3.70  43.06) =  99.755%  kept
          HN    GLN  116 - HB    THR  118   5.36 +/- 0.28   6.127% *  2.9168% (0.80   1.0   0.75   0.13) =   0.209%  kept
          HN    PHE   60 - HB    THR  118   8.41 +/- 1.24   2.004% *  1.5096% (0.98   1.0   0.32   0.02) =   0.035%
          HN    GLU- 114 - HB    THR  118   7.62 +/- 0.81   2.411% *  0.0332% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB    THR  118  22.14 +/- 2.97   0.099% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.36, residual support = 43.1:
      O T QG2   THR  118 - HA    THR  118   2.65 +/- 0.18 100.000% *100.0000% (0.14  10.0 10.00   5.36  43.06) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.863, support = 5.98, residual support = 66.0:
        T QG2   ILE  119 - HA    THR  118   5.89 +/- 0.19  42.361% * 98.2961% (0.87 10.00   6.04  66.63) =  98.994%  kept
          QD2   LEU   71 - HA    THR  118  12.04 +/- 4.99  25.738% *  1.5756% (0.65  1.00   0.43   0.02) =   0.964%  kept
          QD1   ILE  103 - HA    THR  118  11.52 +/- 4.50  17.121% *  0.0851% (0.75  1.00   0.02   0.02) =   0.035%
          QG2   ILE  103 - HA    THR  118  10.00 +/- 3.59  11.775% *  0.0178% (0.16  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HA    THR  118  17.94 +/- 3.52   3.004% *  0.0254% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 15 structures by 2.10 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.468, support = 4.45, residual support = 41.1:
        T HG13  ILE  119 - HA    THR  118   6.62 +/- 0.60  23.747% * 72.0092% (0.20 10.00   6.58  66.63) =  60.050%  kept
          QG1   VAL  107 - HA    THR  118   5.55 +/- 2.36  48.931% * 21.1970% (0.88  1.00   1.34   2.97) =  36.423%  kept
          QG1   VAL   24 - HA    THR  118  18.52 +/- 6.03  16.643% *  5.7223% (0.83  1.00   0.38   0.02) =   3.344%  kept
          QG2   VAL   24 - HA    THR  118  17.67 +/- 5.45   5.896% *  0.7207% (0.16  1.00   0.25   0.02) =   0.149%  kept
          HD3   LYS+ 112 - HA    THR  118  12.97 +/- 1.50   3.000% *  0.2702% (0.75  1.00   0.02   0.02) =   0.028%
          HB3   LEU   31 - HA    THR  118  18.01 +/- 5.00   1.783% *  0.0807% (0.22  1.00   0.02   0.02) =   0.005%
    Distance limit 3.56 A violated in 2 structures by 0.85 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.47, support = 2.7, residual support = 7.35:
        T HB3   LYS+ 121 - HA    THR  118   3.44 +/- 0.73  44.937% * 63.3110% (0.22 10.00   2.62   7.35) =  63.007%  kept
          HD2   LYS+ 121 - HA    THR  118   3.59 +/- 1.48  46.913% * 35.5835% (0.89  1.00   2.83   7.35) =  36.970%  kept
          QG2   THR   26 - HA    THR  118  17.63 +/- 4.27   1.060% *  0.2517% (0.89  1.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - HA    THR  118  17.50 +/- 3.56   1.045% *  0.2121% (0.75  1.00   0.02   0.02) =   0.005%
          QD    LYS+  66 - HA    THR  118  14.35 +/- 3.41   0.982% *  0.1844% (0.65  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HA    THR  118  16.96 +/- 1.52   0.435% *  0.2539% (0.90  1.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    THR  118  11.89 +/- 3.99   1.610% *  0.0633% (0.22  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    THR  118  11.22 +/- 1.56   1.361% *  0.0445% (0.16  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    THR  118  13.72 +/- 4.49   0.928% *  0.0565% (0.20  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  18.19 +/- 3.18   0.730% *  0.0392% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.685, support = 0.02, residual support = 63.8:
        T HB    ILE  119 - HA    THR  118   5.58 +/- 0.17  62.759% * 57.0728% (0.69 10.00   0.02  66.63) =  95.803%  kept
          HB    VAL  108 - HA    THR  118  12.86 +/- 2.24   6.063% *  7.0645% (0.85  1.00   0.02   0.02) =   1.146%  kept
          HB2   PRO   93 - HA    THR  118  14.48 +/- 1.71   4.107% *  7.0645% (0.85  1.00   0.02   0.02) =   0.776%  kept
          HB2   GLN   30 - HA    THR  118  17.97 +/- 4.26   3.753% *  5.7073% (0.69  1.00   0.02   0.02) =   0.573%  kept
          HB2   ARG+  54 - HA    THR  118  19.28 +/- 2.39   2.831% *  7.3202% (0.88  1.00   0.02   0.02) =   0.554%  kept
          HG3   GLN   30 - HA    THR  118  19.08 +/- 4.66   3.570% *  3.3482% (0.40  1.00   0.02   0.02) =   0.320%  kept
          HB3   GLU- 100 - HA    THR  118  18.87 +/- 4.14   2.152% *  5.1298% (0.62  1.00   0.02   0.02) =   0.295%  kept
          HG2   PRO   58 - HA    THR  118  12.29 +/- 1.37   6.893% *  1.3079% (0.16  1.00   0.02   0.02) =   0.241%  kept
          HB3   PRO   68 - HA    THR  118  16.70 +/- 3.65   3.768% *  1.1523% (0.14  1.00   0.02   0.02) =   0.116%  kept
          HB2   GLU-  14 - HA    THR  118  23.37 +/- 3.71   1.420% *  1.6626% (0.20  1.00   0.02   0.02) =   0.063%
          HG2   MET   11 - HA    THR  118  28.21 +/- 6.26   1.249% *  1.8622% (0.22  1.00   0.02   0.02) =   0.062%
          HG3   PRO   52 - HA    THR  118  20.85 +/- 2.40   1.436% *  1.3079% (0.16  1.00   0.02   0.02) =   0.050%
    Distance limit 3.93 A violated in 14 structures by 1.61 A, kept.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.79, residual support = 66.6:
        T HG12  ILE  119 - HA    THR  118   5.77 +/- 0.38  67.815% * 98.7917% (0.40 10.00   6.80  66.63) =  99.912%  kept
          HB3   PHE   72 - HA    THR  118  13.07 +/- 3.59  12.494% *  0.1911% (0.78  1.00   0.02   0.02) =   0.036%
          HB2   ASP-  44 - HA    THR  118  13.34 +/- 2.23   7.146% *  0.2084% (0.85  1.00   0.02   0.02) =   0.022%
          QG    GLU-  14 - HA    THR  118  21.09 +/- 3.57   3.083% *  0.2034% (0.83  1.00   0.02   0.02) =   0.009%
          QB    MET   11 - HA    THR  118  24.60 +/- 6.07   3.439% *  0.1764% (0.72  1.00   0.02   0.02) =   0.009%
          QG    GLU-  15 - HA    THR  118  19.02 +/- 2.26   2.248% *  0.2184% (0.89  1.00   0.02   0.02) =   0.007%
          QG    GLN   90 - HA    THR  118  22.55 +/- 1.53   1.220% *  0.1764% (0.72  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HA    THR  118  21.81 +/- 5.29   2.557% *  0.0340% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 15 structures by 1.82 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.14, residual support = 43.1:
      O T HB    THR  118 - HA    THR  118   3.01 +/- 0.05  95.230% * 99.8099% (0.72  10.0 10.00   4.14  43.06) =  99.998%  kept
          HA    PHE   60 - HA    THR  118  10.51 +/- 1.23   2.548% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HA    THR  118  19.99 +/- 4.35   0.559% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.44 +/- 4.11   0.700% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  21.88 +/- 5.02   0.670% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  22.30 +/- 2.73   0.294% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 9.16:
          QD    PHE   59 - HA    THR  118   6.65 +/- 0.62  73.955% * 25.6201% (0.85   0.02  12.35) =  74.100%  kept
          HD1   TRP   27 - HA    THR  118  19.71 +/- 5.82  14.088% * 25.6201% (0.85   0.02   0.02) =  14.116%  kept
          HE21  GLN   30 - HA    THR  118  18.50 +/- 4.70   8.766% * 26.1376% (0.87   0.02   0.02) =   8.961%  kept
          HH2   TRP   49 - HA    THR  118  20.61 +/- 2.44   3.191% * 22.6222% (0.75   0.02   0.02) =   2.824%  kept
    Distance limit 3.57 A violated in 19 structures by 3.01 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.98 +/- 0.31  78.931% * 43.4534% (0.47   0.02   0.02) =  88.847%  kept
          HE21  GLN   17 - HA    THR  118  20.38 +/- 5.45  17.457% * 16.3448% (0.18   0.02   0.02) =   7.392%  kept
          HZ2   TRP   49 - HA    THR  118  20.40 +/- 2.51   3.612% * 40.2018% (0.44   0.02   0.02) =   3.761%  kept
    Distance limit 3.97 A violated in 20 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.68, residual support = 66.6:
      O   HN    ILE  119 - HA    THR  118   3.54 +/- 0.05  95.485% * 99.6357% (0.51  10.0   7.68  66.63) =  99.994%  kept
          HN    CYS   21 - HA    THR  118  18.86 +/- 5.20   2.427% *  0.1698% (0.87   1.0   0.02   0.02) =   0.004%
          HN    LYS+  33 - HA    THR  118  20.10 +/- 4.48   0.846% *  0.0996% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    THR  118  20.12 +/- 4.46   0.799% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  22.84 +/- 3.00   0.442% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.86, residual support = 43.0:
      O   HN    THR  118 - HA    THR  118   2.85 +/- 0.04  91.654% * 96.9560% (0.51  10.0   4.87  43.06) =  99.834%  kept
          HN    GLN  116 - HA    THR  118   7.07 +/- 0.13   6.041% *  2.2054% (0.28   1.0   0.83   0.13) =   0.150%  kept
          HN    PHE   60 - HA    THR  118  10.69 +/- 1.15   2.016% *  0.6900% (0.72   1.0   0.10   0.02) =   0.016%
          HN    GLU-  15 - HA    THR  118  22.06 +/- 3.27   0.289% *  0.1486% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.388, support = 4.23, residual support = 45.1:
      O T HA    THR  118 - HB    THR  118   3.01 +/- 0.05  75.464% * 73.1844% (0.38  10.0 10.00   4.14  43.06) =  91.355%  kept
          HA    ILE  119 - HB    THR  118   4.77 +/- 0.26  19.783% * 26.3999% (0.53   1.0  1.00   5.15  66.63) =   8.639%  kept
          HD3   PRO   58 - HB    THR  118  10.71 +/- 1.27   1.965% *  0.0949% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HB    THR  118  15.55 +/- 1.79   0.631% *  0.1490% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - HB    THR  118  12.30 +/- 1.92   1.645% *  0.0301% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  21.33 +/- 1.77   0.229% *  0.0874% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  20.50 +/- 2.51   0.283% *  0.0542% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.583, support = 4.63, residual support = 38.3:
          HG13  ILE  119 - QG2   THR  118   4.69 +/- 0.85  28.790% * 62.6633% (0.62   6.03  66.63) =  55.702%  kept
          QG1   VAL  107 - QG2   THR  118   3.87 +/- 2.32  46.715% * 27.1099% (0.51   3.16   2.97) =  39.103%  kept
          QG1   VAL   24 - QG2   THR  118  14.14 +/- 4.73  17.337% *  9.6472% (0.80   0.71   0.02) =   5.164%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.52 +/- 1.27   1.586% *  0.2922% (0.87   0.02   0.02) =   0.014%
          QB    ALA   20 - QG2   THR  118  12.70 +/- 3.22   4.432% *  0.0674% (0.20   0.02   0.02) =   0.009%
          HB3   LEU   31 - QG2   THR  118  13.74 +/- 3.76   1.140% *  0.2199% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.29 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.276, support = 1.61, residual support = 4.03:
        T HB3   ASP- 105 - QG2   THR  118   6.12 +/- 3.32  28.034% * 79.0123% (0.25 10.00   1.66   4.21) =  90.188%  kept
          QB    LYS+ 106 - QG2   THR  118   7.71 +/- 2.88  13.070% * 13.4360% (0.51  1.00   1.39   3.29) =   7.150%  kept
          HB3   PRO   58 - QG2   THR  118   9.84 +/- 1.75   9.899% *  5.5662% (0.62  1.00   0.47   0.02) =   2.243%  kept
          HB    ILE   56 - QG2   THR  118   9.20 +/- 1.47  12.050% *  0.3240% (0.85  1.00   0.02   0.02) =   0.159%  kept
          HB3   GLN   30 - QG2   THR  118  13.78 +/- 3.28   5.448% *  0.3306% (0.87  1.00   0.02   0.02) =   0.073%
          HB3   LYS+  38 - QG2   THR  118  15.52 +/- 3.84   4.664% *  0.3418% (0.89  1.00   0.02   0.02) =   0.065%
          HB2   MET   92 - QG2   THR  118  13.56 +/- 1.45   2.282% *  0.2971% (0.78  1.00   0.02   0.02) =   0.028%
          HB    ILE  103 - QG2   THR  118  10.93 +/- 3.42   7.423% *  0.0763% (0.20  1.00   0.02   0.02) =   0.023%
          HG3   PRO   68 - QG2   THR  118  11.50 +/- 3.01   8.075% *  0.0678% (0.18  1.00   0.02   0.02) =   0.022%
          QB    LYS+  81 - QG2   THR  118  17.78 +/- 3.30   2.298% *  0.1802% (0.47  1.00   0.02   0.02) =   0.017%
          QB    LYS+  33 - QG2   THR  118  14.43 +/- 3.04   3.122% *  0.1286% (0.34  1.00   0.02   0.02) =   0.016%
          HG2   ARG+  54 - QG2   THR  118  14.94 +/- 2.04   2.720% *  0.0854% (0.22  1.00   0.02   0.02) =   0.009%
          HB3   GLN   90 - QG2   THR  118  18.81 +/- 1.90   0.914% *  0.1536% (0.40  1.00   0.02   0.02) =   0.006%
    Distance limit 3.55 A violated in 9 structures by 1.52 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.64, support = 3.78, residual support = 32.0:
        T HB2   ASP- 105 - QG2   THR  118   5.99 +/- 3.34  33.734% * 61.6070% (0.51 10.00   1.66   4.21) =  55.438%  kept
          HG12  ILE  119 - QG2   THR  118   3.89 +/- 0.72  44.174% * 37.7844% (0.80  1.00   6.42  66.63) =  44.523%  kept
          HB3   PHE   72 - QG2   THR  118   9.02 +/- 3.13   8.449% *  0.0638% (0.44  1.00   0.02   0.02) =   0.014%
          HB2   GLU-  29 - QG2   THR  118  16.99 +/- 3.88   2.064% *  0.1286% (0.88  1.00   0.02   0.02) =   0.007%
          HB2   ASP-  44 - QG2   THR  118   8.95 +/- 2.20   5.208% *  0.0492% (0.34  1.00   0.02   0.02) =   0.007%
          HG3   MET   92 - QG2   THR  118  13.72 +/- 1.72   1.235% *  0.1211% (0.83  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - QG2   THR  118  16.57 +/- 2.97   1.619% *  0.0539% (0.37  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QG2   THR  118  17.27 +/- 1.57   0.571% *  0.0743% (0.51  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  13.98 +/- 2.79   1.100% *  0.0365% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   THR  118  15.17 +/- 1.71   0.849% *  0.0447% (0.31  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   THR  118  14.86 +/- 2.05   0.997% *  0.0365% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.394, support = 5.4, residual support = 53.2:
      O T HA    THR  118 - QG2   THR  118   2.65 +/- 0.18  62.225% * 41.5367% (0.34  10.0 10.00   5.36  43.06) =  57.187%  kept
        T HA    ILE  119 - QG2   THR  118   3.44 +/- 0.40  33.227% * 58.2274% (0.47   1.0 10.00   5.45  66.63) =  42.808%  kept
          HD3   PRO   58 - QG2   THR  118   9.48 +/- 1.46   2.196% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - QG2   THR  118  12.40 +/- 1.82   0.770% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118  11.44 +/- 2.01   1.088% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.17 +/- 1.68   0.212% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  17.17 +/- 2.57   0.283% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.99, residual support = 43.1:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  93.590% * 99.8099% (0.72  10.0 10.00   3.99  43.06) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   6.68 +/- 1.30   4.459% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR  118  17.20 +/- 3.98   0.778% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  15.51 +/- 3.16   0.383% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.05 +/- 2.92   0.521% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  16.92 +/- 2.50   0.268% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 1.34, residual support = 5.07:
          HD2   HIS  122 - QG2   THR  118   3.39 +/- 0.28  83.986% * 97.4137% (0.90   1.34   5.08) =  99.820%  kept
          HE22  GLN  116 - QG2   THR  118   8.52 +/- 1.17   6.460% *  1.4463% (0.89   0.02   0.13) =   0.114%  kept
          QD    PHE   45 - QG2   THR  118   9.46 +/- 2.06   6.085% *  0.5440% (0.34   0.02   0.02) =   0.040%
          HE22  GLN   17 - QG2   THR  118  16.50 +/- 4.66   3.470% *  0.5959% (0.37   0.02   0.02) =   0.025%
    Distance limit 3.11 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.4, residual support = 12.3:
          QD    PHE   59 - QG2   THR  118   4.25 +/- 0.97  75.478% * 98.6990% (0.85   4.40  12.35) =  99.854%  kept
          HD1   TRP   27 - QG2   THR  118  14.86 +/- 4.58  16.817% *  0.4481% (0.85   0.02   0.02) =   0.101%  kept
          HE21  GLN   30 - QG2   THR  118  13.99 +/- 3.44   5.361% *  0.4572% (0.87   0.02   0.02) =   0.033%
          HH2   TRP   49 - QG2   THR  118  15.82 +/- 1.96   2.345% *  0.3957% (0.75   0.02   0.02) =   0.012%
    Distance limit 3.54 A violated in 2 structures by 0.76 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.45, residual support = 66.6:
        T QG2   THR  118 - HA    ILE  119   3.44 +/- 0.40 100.000% *100.0000% (0.57 10.00   5.45  66.63) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.5, support = 4.45, residual support = 36.9:
          QB    ALA  120 - HA    ILE  119   4.99 +/- 0.03  37.773% * 51.6084% (0.45   5.22  53.32) =  64.605%  kept
          HD2   LYS+ 121 - HA    ILE  119   6.12 +/- 0.95  23.068% * 43.3748% (0.61   3.24   6.81) =  33.159%  kept
          HG    LEU  115 - HA    ILE  119   7.25 +/- 1.51  17.522% *  3.5374% (0.45   0.36   7.75) =   2.054%  kept
          HB3   LEU   40 - HA    ILE  119  12.84 +/- 5.10   7.427% *  0.3031% (0.69   0.02   0.02) =   0.075%
          HB2   LYS+  74 - HA    ILE  119  15.32 +/- 2.98   2.245% *  0.4259% (0.97   0.02   0.02) =   0.032%
          QD    LYS+  66 - HA    ILE  119  11.05 +/- 3.41   7.477% *  0.1100% (0.25   0.02   0.02) =   0.027%
          QG2   THR   26 - HA    ILE  119  16.57 +/- 3.86   2.342% *  0.3373% (0.76   0.02   0.02) =   0.026%
          HG2   LYS+  65 - HA    ILE  119  13.47 +/- 1.48   2.146% *  0.3031% (0.69   0.02   0.02) =   0.022%
    Distance limit 3.95 A violated in 0 structures by 0.63 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.35, residual support = 24.0:
          QD    PHE   59 - HA    ILE  119   4.03 +/- 0.59  80.289% * 97.5894% (0.95   2.35  24.05) =  99.791%  kept
          HE21  GLN   30 - HA    ILE  119  17.14 +/- 5.13  14.710% *  0.8471% (0.97   0.02   0.02) =   0.159%  kept
          HD1   TRP   27 - HA    ILE  119  19.03 +/- 5.22   3.269% *  0.8303% (0.95   0.02   0.02) =   0.035%
          HH2   TRP   49 - HA    ILE  119  19.42 +/- 3.49   1.731% *  0.7332% (0.84   0.02   0.02) =   0.016%
    Distance limit 3.36 A violated in 1 structures by 0.65 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.59, residual support = 270.1:
      O   HN    ILE  119 - HA    ILE  119   2.79 +/- 0.06  97.038% * 99.7485% (0.98  10.0   8.59 270.09) =  99.998%  kept
          HN    CYS   21 - HA    ILE  119  17.23 +/- 4.80   1.717% *  0.0850% (0.84   1.0   0.02   0.02) =   0.002%
          HN    SER   37 - HA    ILE  119  19.66 +/- 4.81   0.456% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  23.39 +/- 3.08   0.212% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  19.48 +/- 4.78   0.577% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.282, support = 5.59, residual support = 44.4:
      O   HN    ALA  120 - HA    ILE  119   3.60 +/- 0.03  69.121% * 62.6420% (0.18  10.0   6.24  53.32) =  83.004%  kept
          HN    LEU  123 - HA    ILE  119   5.12 +/- 0.31  24.922% * 35.2564% (0.80   1.0   2.46   0.80) =  16.844%  kept
          HN    ALA  124 - HA    ILE  119   9.21 +/- 0.36   4.182% *  1.7439% (0.98   1.0   0.10   0.02) =   0.140%  kept
          HE21  GLN   17 - HA    ILE  119  18.03 +/- 5.16   1.775% *  0.3577% (1.00   1.0   0.02   0.02) =   0.012%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.53, residual support = 15.6:
          HA    GLN  116 - HB    ILE  119   2.93 +/- 0.78  92.651% * 96.5633% (0.84   2.53  15.63) =  99.953%  kept
          HA    VAL   70 - HB    ILE  119  13.90 +/- 4.22   3.635% *  0.7639% (0.84   0.02   0.02) =   0.031%
          HA    VAL   18 - HB    ILE  119  16.94 +/- 3.44   0.914% *  0.4165% (0.46   0.02   0.02) =   0.004%
          HA    GLU-  29 - HB    ILE  119  22.96 +/- 4.78   0.631% *  0.4481% (0.49   0.02   0.02) =   0.003%
          HA    LYS+  33 - HB    ILE  119  23.04 +/- 4.22   0.464% *  0.5748% (0.63   0.02   0.02) =   0.003%
          HB2   SER   37 - HB    ILE  119  21.22 +/- 3.81   0.446% *  0.5121% (0.56   0.02   0.02) =   0.003%
          HA1   GLY   16 - HB    ILE  119  19.11 +/- 3.78   0.579% *  0.2443% (0.27   0.02   0.02) =   0.002%
          HB2   SER   82 - HB    ILE  119  27.21 +/- 4.25   0.196% *  0.3549% (0.39   0.02   0.02) =   0.001%
          HA    SER   48 - HB    ILE  119  20.40 +/- 3.42   0.484% *  0.1221% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.517, support = 5.01, residual support = 52.0:
          HN    ALA  120 - HB    ILE  119   2.92 +/- 0.29  62.283% * 86.5269% (0.53   5.14  53.32) =  96.879%  kept
          HE21  GLN  116 - HB    ILE  119   5.11 +/- 1.75  27.433% *  4.4091% (0.22   0.64  15.63) =   2.174%  kept
          HN    LEU  123 - HB    ILE  119   6.34 +/- 0.45   6.341% *  8.1292% (0.27   0.95   0.80) =   0.927%  kept
          HN    ALA  124 - HB    ILE  119  10.02 +/- 0.44   1.604% *  0.4441% (0.69   0.02   0.02) =   0.013%
          HE21  GLN   17 - HB    ILE  119  19.57 +/- 5.49   0.635% *  0.3810% (0.60   0.02   0.02) =   0.004%
          HN    ALA   57 - HB    ILE  119  10.22 +/- 1.27   1.704% *  0.1098% (0.17   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.57, residual support = 270.1:
      O   HN    ILE  119 - HB    ILE  119   2.23 +/- 0.19  98.634% * 99.7485% (0.85  10.0   7.57 270.09) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  18.59 +/- 5.34   0.953% *  0.0850% (0.72   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HB    ILE  119  22.04 +/- 4.23   0.137% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  23.64 +/- 2.57   0.098% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  21.74 +/- 4.27   0.178% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.56, support = 3.79, residual support = 52.6:
          HA    ALA  120 - QG2   ILE  119   3.24 +/- 0.35  79.746% * 85.9807% (0.57   3.83  53.32) =  98.437%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.43 +/- 0.21  10.929% *  9.5422% (0.20   1.22   6.81) =   1.497%  kept
          HA    LYS+  65 - QG2   ILE  119  11.12 +/- 1.35   2.442% *  0.7497% (0.95   0.02   0.02) =   0.026%
          HA2   GLY   16 - QG2   ILE  119  15.51 +/- 3.36   1.042% *  0.7107% (0.90   0.02   0.02) =   0.011%
          HD2   PRO   52 - QG2   ILE  119  16.15 +/- 1.34   0.745% *  0.6056% (0.76   0.02   0.02) =   0.006%
          HA    GLN   32 - QG2   ILE  119  18.62 +/- 4.18   0.806% *  0.4487% (0.57   0.02   0.02) =   0.005%
          QB    SER   48 - QG2   ILE  119  16.80 +/- 3.18   1.054% *  0.2703% (0.34   0.02   0.02) =   0.004%
          QB    SER   85 - QG2   ILE  119  21.59 +/- 3.27   0.384% *  0.7107% (0.90   0.02   0.02) =   0.004%
          HB    THR   94 - QG2   ILE  119  14.14 +/- 1.54   1.053% *  0.1976% (0.25   0.02   0.02) =   0.003%
          HA    SER   48 - QG2   ILE  119  17.57 +/- 3.15   0.823% *  0.2446% (0.31   0.02   0.02) =   0.003%
          HA    ALA   88 - QG2   ILE  119  23.17 +/- 2.65   0.270% *  0.4169% (0.53   0.02   0.02) =   0.002%
          HA2   GLY   51 - QG2   ILE  119  16.73 +/- 1.52   0.706% *  0.1223% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.573, support = 5.74, residual support = 47.4:
          HN    ALA  120 - QG2   ILE  119   2.97 +/- 0.54  50.502% * 75.0740% (0.61   6.01  53.32) =  88.686%  kept
          HN    LEU  123 - QG2   ILE  119   4.33 +/- 0.40  19.837% * 23.6477% (0.31   3.72   0.80) =  10.973%  kept
          HE21  GLN  116 - QG2   ILE  119   5.09 +/- 1.72  21.574% *  0.5840% (0.25   0.11  15.63) =   0.295%  kept
          HN    ALA  124 - QG2   ILE  119   7.00 +/- 0.40   4.264% *  0.3299% (0.80   0.02   0.02) =   0.033%
          HE21  GLN   17 - QG2   ILE  119  15.56 +/- 4.74   1.191% *  0.2830% (0.69   0.02   0.02) =   0.008%
          HN    ALA   57 - QG2   ILE  119   8.88 +/- 1.18   2.631% *  0.0815% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.49, residual support = 270.0:
          HN    ILE  119 - QG2   ILE  119   3.50 +/- 0.30  85.299% * 99.3268% (0.80   8.49 270.09) =  99.979%  kept
          HN    CYS   21 - QG2   ILE  119  15.39 +/- 4.82  13.190% *  0.0997% (0.34   0.02   0.02) =   0.016%
          HN    SER   37 - QG2   ILE  119  18.03 +/- 3.93   0.986% *  0.2915% (1.00   0.02   0.02) =   0.003%
          HN    ILE   89 - QG2   ILE  119  20.91 +/- 2.46   0.524% *  0.2820% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.838, support = 1.73, residual support = 6.49:
          QD2   LEU  115 - HG12  ILE  119   3.74 +/- 1.29  53.640% * 73.3243% (0.90   1.89   7.75) =  82.335%  kept
          QD1   LEU   63 - HG12  ILE  119   5.26 +/- 2.29  35.250% * 23.7653% (0.57   0.97   0.62) =  17.537%  kept
          QD1   LEU   73 - HG12  ILE  119  12.63 +/- 3.87   7.554% *  0.4890% (0.57   0.02   0.02) =   0.077%
          QD1   LEU  104 - HG12  ILE  119  12.36 +/- 3.05   1.831% *  0.8637% (1.00   0.02   0.02) =   0.033%
          QD2   LEU   80 - HG12  ILE  119  18.27 +/- 3.05   0.526% *  0.7973% (0.92   0.02   0.02) =   0.009%
          QG1   VAL   83 - HG12  ILE  119  17.91 +/- 3.27   0.600% *  0.6272% (0.73   0.02   0.02) =   0.008%
          QG2   ILE   89 - HG12  ILE  119  16.11 +/- 1.97   0.599% *  0.1333% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.808, support = 1.75, residual support = 5.86:
          QD2   LEU  115 - HG13  ILE  119   4.45 +/- 1.32  48.371% * 68.5165% (0.90   1.92   7.75) =  73.473%  kept
          QD1   LEU   63 - HG13  ILE  119   5.21 +/- 2.21  41.358% * 28.7993% (0.57   1.28   0.62) =  26.406%  kept
          QD1   LEU   73 - HG13  ILE  119  12.95 +/- 3.64   5.882% *  0.4510% (0.57   0.02   0.02) =   0.059%
          QD1   LEU  104 - HG13  ILE  119  12.72 +/- 2.95   2.342% *  0.7966% (1.00   0.02   0.02) =   0.041%
          QD2   LEU   80 - HG13  ILE  119  18.65 +/- 3.01   0.640% *  0.7353% (0.92   0.02   0.02) =   0.010%
          QG1   VAL   83 - HG13  ILE  119  18.42 +/- 3.23   0.646% *  0.5784% (0.73   0.02   0.02) =   0.008%
          QG2   ILE   89 - HG13  ILE  119  16.74 +/- 2.08   0.762% *  0.1229% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.01 A violated in 0 structures by 0.09 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   8.48 +/- 3.70 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.71 A violated in 14 structures by 4.91 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 3.67, residual support = 24.0:
          QD    PHE   59 - HG13  ILE  119   2.79 +/- 0.69  89.761% * 98.4446% (0.95   3.68  24.05) =  99.938%  kept
          HE21  GLN   30 - HG13  ILE  119  17.65 +/- 4.70   7.999% *  0.5466% (0.97   0.02   0.02) =   0.049%
          HD1   TRP   27 - HG13  ILE  119  19.37 +/- 4.69   1.113% *  0.5358% (0.95   0.02   0.02) =   0.007%
          HH2   TRP   49 - HG13  ILE  119  17.94 +/- 3.61   1.127% *  0.4731% (0.84   0.02   0.02) =   0.006%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.86, residual support = 270.1:
          HN    ILE  119 - HG13  ILE  119   3.64 +/- 0.60  95.269% * 99.2733% (0.80   7.86 270.09) =  99.991%  kept
          HN    CYS   21 - HG13  ILE  119  17.26 +/- 4.35   3.245% *  0.1076% (0.34   0.02   0.02) =   0.004%
          HN    SER   37 - HG13  ILE  119  20.79 +/- 4.14   1.004% *  0.3147% (1.00   0.02   0.02) =   0.003%
          HN    ILE   89 - HG13  ILE  119  22.72 +/- 2.74   0.482% *  0.3044% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.33, residual support = 24.0:
          QD    PHE   59 - HG12  ILE  119   2.51 +/- 0.53  97.411% * 99.1066% (0.84   4.33  24.05) =  99.992%  kept
          HE21  GLN   30 - HG12  ILE  119  17.65 +/- 4.36   1.389% *  0.2667% (0.49   0.02   0.02) =   0.004%
          HD1   TRP   27 - HG12  ILE  119  19.18 +/- 4.73   0.543% *  0.4576% (0.84   0.02   0.02) =   0.003%
          HH2   TRP   49 - HG12  ILE  119  17.75 +/- 2.98   0.657% *  0.1691% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.56, residual support = 270.1:
          HN    ILE  119 - HG12  ILE  119   2.76 +/- 0.57  98.209% * 99.3321% (0.80   8.56 270.09) =  99.997%  kept
          HN    SER   37 - HG12  ILE  119  20.87 +/- 3.82   0.437% *  0.2893% (1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HG12  ILE  119  17.15 +/- 4.46   1.046% *  0.0989% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG12  ILE  119  21.90 +/- 2.67   0.308% *  0.2798% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   7.77 +/- 3.06 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.16 A violated in 15 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.297, support = 2.97, residual support = 4.82:
          QD2   LEU  115 - QD1   ILE  119   3.22 +/- 1.44  52.895% * 40.8768% (0.40  1.00   4.30   7.75) =  59.221%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.74 +/- 1.88  34.406% * 39.2564% (0.15 10.00   1.10   0.62) =  36.994%  kept
        T QD1   LEU   73 - QD1   ILE  119  11.00 +/- 3.47   8.306% * 15.7583% (0.15 10.00   0.44   0.02) =   3.585%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.48 +/- 2.40   2.075% *  3.1776% (0.66 10.00   0.02   0.02) =   0.181%  kept
          QG1   VAL   83 - QD1   ILE  119  15.47 +/- 2.61   0.730% *  0.4616% (0.96  1.00   0.02   0.02) =   0.009%
          QG2   ILE   89 - QD1   ILE  119  13.91 +/- 1.74   0.801% *  0.2619% (0.55  1.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - QD1   ILE  119  15.60 +/- 2.51   0.788% *  0.2074% (0.43  1.00   0.02   0.02) =   0.004%
    Distance limit 2.64 A violated in 1 structures by 0.38 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.89, residual support = 15.6:
        T HA    GLN  116 - QD1   ILE  119   2.98 +/- 1.01  73.208% * 99.4587% (0.51 10.00   3.89  15.63) =  99.965%  kept
          HA    VAL   70 - QD1   ILE  119  10.97 +/- 3.56  19.645% *  0.0995% (0.51  1.00   0.02   0.02) =   0.027%
          HA1   GLY   16 - QD1   ILE  119  15.48 +/- 3.63   1.909% *  0.1514% (0.77  1.00   0.02   0.02) =   0.004%
          HB2   SER   37 - QD1   ILE  119  17.56 +/- 2.84   0.940% *  0.1886% (0.96  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD1   ILE  119  13.44 +/- 3.20   2.458% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  19.12 +/- 3.26   0.722% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  18.90 +/- 3.82   1.117% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.304, support = 0.512, residual support = 0.241:
        T QD    PHE   72 - QD1   ILE  119   8.48 +/- 2.61  52.872% * 86.6700% (0.21 10.00   0.58   0.24) =  87.944%  kept
        T HZ    PHE   72 - QD1   ILE  119   8.88 +/- 2.25  47.128% * 13.3300% (0.96 10.00   0.02   0.24) =  12.056%  kept
    Distance limit 3.40 A violated in 14 structures by 3.95 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.588, support = 0.02, residual support = 0.109:
          QD    PHE   95 - QD1   ILE  119   6.65 +/- 1.49  53.314% * 23.3518% (0.47   0.02   0.02) =  45.065%  kept
          QE    PHE   72 - QD1   ILE  119   8.04 +/- 2.06  38.060% * 29.0981% (0.59   0.02   0.24) =  40.088%  kept
          HN    ALA   47 - QD1   ILE  119  13.24 +/- 2.00   8.626% * 47.5501% (0.96   0.02   0.02) =  14.847%  kept
    Distance limit 3.45 A violated in 16 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.859, support = 1.63, residual support = 15.4:
          HN    HIS  122 - QD1   ILE  119   6.09 +/- 0.77  28.049% * 98.2856% (0.87   1.65  15.36) =  98.796%  kept
          HN    PHE   59 - QD1   ILE  119   4.21 +/- 0.92  70.811% *  0.4544% (0.33   0.02  24.05) =   1.153%  kept
          HH2   TRP   87 - QD1   ILE  119  19.02 +/- 3.26   1.140% *  1.2600% (0.91   0.02   0.02) =   0.051%
    Distance limit 3.60 A violated in 1 structures by 0.49 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.02, residual support = 270.0:
          HN    ILE  119 - QD1   ILE  119   3.74 +/- 0.26  90.522% * 99.2868% (0.95   7.02 270.09) =  99.978%  kept
          HN    CYS   21 - QD1   ILE  119  14.66 +/- 4.09   6.084% *  0.2410% (0.81   0.02   0.02) =   0.016%
          HN    ILE   89 - QD1   ILE  119  18.94 +/- 2.27   0.936% *  0.2410% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  18.31 +/- 3.29   1.168% *  0.1867% (0.62   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE  119  17.96 +/- 3.32   1.291% *  0.0445% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.75 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 = 0.449, support = 5.1, residual support = 28.3:
        T QD1   LEU  123 - HA    ALA  120   2.64 +/- 0.60  85.065% * 95.4492% (0.45 10.00   5.11  28.30) =  99.871%  kept
          HB3   LEU   63 - HA    ALA  120  11.54 +/- 2.89   2.234% *  3.9894% (0.98  1.00   0.38   0.02) =   0.110%  kept
          QG1   VAL   70 - HA    ALA  120  10.81 +/- 4.06   6.374% *  0.1462% (0.69  1.00   0.02   0.02) =   0.011%
          QD1   LEU   71 - HA    ALA  120  13.96 +/- 4.80   3.575% *  0.0954% (0.45  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HA    ALA  120  14.44 +/- 3.38   1.181% *  0.1705% (0.80  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HA    ALA  120  16.52 +/- 1.33   0.538% *  0.1120% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  15.34 +/- 5.14   1.034% *  0.0373% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.552, support = 4.7, residual support = 21.6:
          HN    LEU  123 - HA    ALA  120   2.69 +/- 0.14  48.549% * 45.5874% (0.80   1.0   5.61  28.30) =  57.227%  kept
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.05  44.016% * 35.5402% (0.18  10.0   3.58  13.39) =  40.449%  kept
          HN    ALA  124 - HA    ALA  120   5.91 +/- 0.42   4.786% * 18.6694% (0.98   1.0   1.88   0.02) =   2.311%  kept
          HE21  GLN   17 - HA    ALA  120  19.34 +/- 5.85   2.649% *  0.2029% (1.00   1.0   0.02   0.02) =   0.014%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.44, residual support = 312.8:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.02  87.718% * 99.7700% (0.45  10.0   6.44 312.77) =  99.998%  kept
          HZ2   TRP   49 - HA    LYS+  65  16.18 +/- 7.86  11.646% *  0.0132% (0.06   1.0   0.02   0.02) =   0.002%
          HZ2   TRP   49 - HA    LYS+ 121  24.05 +/- 3.48   0.174% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  16.29 +/- 1.46   0.461% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.907, support = 3.59, residual support = 7.13:
          HA    THR  118 - HB2   LYS+ 121   3.17 +/- 1.03  70.875% * 35.8503% (0.87   2.90   7.35) =  59.539%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.89 +/- 0.43  27.219% * 63.4280% (0.97   4.61   6.81) =  40.454%  kept
          HA2   GLY  109 - HB2   LYS+ 121  17.02 +/- 2.51   0.741% *  0.1614% (0.57   0.02   0.02) =   0.003%
          HA    ALA   84 - HB2   LYS+ 121  24.40 +/- 3.14   0.301% *  0.2179% (0.76   0.02   0.02) =   0.002%
          HA    VAL   75 - HB2   LYS+ 121  17.92 +/- 2.28   0.665% *  0.0793% (0.28   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB2   LYS+ 121  25.33 +/- 2.58   0.199% *  0.2632% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.77, residual support = 7.3:
        T HA    THR  118 - HB3   LYS+ 121   3.44 +/- 0.73  71.401% * 80.0376% (0.72 10.00   2.62   7.35) =  91.700%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.30 +/- 0.65  26.211% * 19.7288% (0.81  1.00   4.43   6.81) =   8.298%  kept
          HA2   GLY  109 - HB3   LYS+ 121  17.05 +/- 2.27   1.196% *  0.0522% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  25.58 +/- 2.70   0.272% *  0.0852% (0.77  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  24.59 +/- 3.10   0.254% *  0.0705% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  18.25 +/- 2.24   0.666% *  0.0257% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.42, residual support = 312.8:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.72 +/- 0.53  99.634% * 99.9582% (0.75  10.0   6.42 312.77) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  22.24 +/- 3.45   0.366% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.49, residual support = 53.6:
          HN    HIS  122 - HB3   LYS+ 121   3.72 +/- 0.41  96.330% * 99.5594% (0.75   6.49  53.63) =  99.994%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.37 +/- 0.80   2.917% *  0.1168% (0.28   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   LYS+ 121  22.89 +/- 6.13   0.753% *  0.3238% (0.79   0.02   0.02) =   0.003%
    Distance limit 3.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.62, residual support = 53.6:
          HN    HIS  122 - HB2   LYS+ 121   3.49 +/- 0.24  87.855% * 99.2593% (0.41   7.62  53.63) =  99.969%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.70 +/- 0.62   8.610% *  0.2162% (0.34   0.02   0.02) =   0.021%
          HD1   TRP   27 - HB2   LYS+ 121  19.29 +/- 5.82   2.771% *  0.2162% (0.34   0.02   0.02) =   0.007%
          HH2   TRP   87 - HB2   LYS+ 121  22.85 +/- 6.13   0.764% *  0.3084% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.93, residual support = 312.8:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.51 +/- 0.52  99.783% * 99.9061% (0.92  10.0   6.93 312.77) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.05 +/- 3.19   0.217% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.417, support = 1.5, residual support = 10.1:
          QG2   ILE  119 - HB2   HIS  122   5.13 +/- 1.03  33.516% * 52.2039% (0.53   1.50  15.36) =  61.816%  kept
          QD1   LEU   40 - HB2   HIS  122   8.35 +/- 5.72  28.800% * 26.1368% (0.20   1.99   2.26) =  26.595%  kept
          QD2   LEU   67 - HB2   HIS  122   9.92 +/- 4.19  18.950% *  9.2328% (0.41   0.34   0.02) =   6.181%  kept
          QD2   LEU   71 - HB2   HIS  122  10.12 +/- 4.65  16.046% *  8.9583% (0.25   0.54   0.02) =   5.079%  kept
          QD1   ILE  103 - HB2   HIS  122  14.53 +/- 5.07   2.689% *  3.4682% (0.34   0.15   0.02) =   0.329%  kept
    Distance limit 3.62 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.507, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  11.12 +/- 5.30  21.235% * 20.0916% (0.69   0.02   0.02) =  41.734%  kept
          QD2   LEU  115 - HB2   HIS  122   9.53 +/- 1.11  19.229% * 12.0248% (0.41   0.02   0.02) =  22.618%  kept
          QD1   LEU   63 - HB2   HIS  122   7.03 +/- 2.12  41.404% *  4.5130% (0.15   0.02   0.02) =  18.279%  kept
          QG1   VAL   83 - HB2   HIS  122  20.47 +/- 4.20   2.121% * 29.1845% (1.00   0.02   0.02) =   6.055%  kept
          QD1   LEU   73 - HB2   HIS  122  13.37 +/- 3.72  11.716% *  4.5130% (0.15   0.02   0.02) =   5.172%  kept
          QD2   LEU   80 - HB2   HIS  122  20.34 +/- 4.12   2.416% * 13.1134% (0.45   0.02   0.02) =   3.099%  kept
          QG2   ILE   89 - HB2   HIS  122  20.17 +/- 2.35   1.878% * 16.5597% (0.57   0.02   0.02) =   3.043%  kept
    Distance limit 4.19 A violated in 14 structures by 2.05 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 76.6:
      O   HD2   HIS  122 - HB2   HIS  122   3.83 +/- 0.35  91.065% * 99.8219% (1.00  10.0   3.99  76.58) =  99.993%  kept
          HE22  GLN  116 - HB2   HIS  122  12.17 +/- 2.40   4.205% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          HE22  GLN   17 - HB2   HIS  122  17.07 +/- 5.04   3.042% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HB2   HIS  122  16.11 +/- 2.95   1.688% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.97, residual support = 76.6:
      O   HN    HIS  122 - HB2   HIS  122   3.44 +/- 0.42  87.523% * 99.7165% (0.41  10.0   5.97  76.58) =  99.988%  kept
          QD    PHE   59 - HB2   HIS  122   7.70 +/- 1.13  10.370% *  0.0827% (0.34   1.0   0.02   0.02) =   0.010%
          HD1   TRP   27 - HB2   HIS  122  18.67 +/- 5.67   1.741% *  0.0827% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   HIS  122  24.56 +/- 5.37   0.366% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 76.6:
      O   HD2   HIS  122 - HB3   HIS  122   3.11 +/- 0.34  94.487% * 99.8219% (1.00  10.0   4.41  76.58) =  99.996%  kept
          HE22  GLN  116 - HB3   HIS  122  11.47 +/- 2.31   2.809% *  0.0996% (1.00   1.0   0.02   0.02) =   0.003%
          HE22  GLN   17 - HB3   HIS  122  17.50 +/- 5.10   1.642% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HB3   HIS  122  15.60 +/- 3.05   1.062% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.61, residual support = 76.6:
      O   HN    HIS  122 - HB3   HIS  122   2.87 +/- 0.44  97.369% * 99.8567% (0.90  10.0   6.61  76.58) =  99.999%  kept
          HN    PHE   59 - HB3   HIS  122  11.04 +/- 1.65   2.277% *  0.0380% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB3   HIS  122  24.19 +/- 5.42   0.354% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.354, support = 0.965, residual support = 8.32:
        T QD1   LEU   40 - HB3   HIS  122   8.35 +/- 5.84  28.060% * 51.7953% (0.20 10.00   0.50   2.26) =  48.934%  kept
          QG2   ILE  119 - HB3   HIS  122   4.61 +/- 1.28  34.403% * 40.5168% (0.53  1.00   1.49  15.36) =  46.930%  kept
          QD2   LEU   71 - HB3   HIS  122  10.18 +/- 4.94  16.525% *  6.9081% (0.25  1.00   0.53   0.02) =   3.844%  kept
          QD2   LEU   67 - HB3   HIS  122  10.00 +/- 4.04  17.320% *  0.4262% (0.41  1.00   0.02   0.02) =   0.249%  kept
          QD1   ILE  103 - HB3   HIS  122  14.16 +/- 5.14   3.692% *  0.3536% (0.34  1.00   0.02   0.02) =   0.044%
    Distance limit 3.69 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.674, support = 3.08, residual support = 27.5:
          HA    ALA  120 - HG    LEU  123   2.90 +/- 0.92  82.237% * 75.9000% (0.68  1.00   3.14  28.30) =  96.887%  kept
          HA    LYS+ 121 - HG    LEU  123   7.04 +/- 0.72   9.725% * 20.3395% (0.47  1.00   1.21   2.28) =   3.070%  kept
          HA2   GLY   16 - HG    LEU  123  18.30 +/- 4.90   1.406% *  0.4379% (0.62  1.00   0.02   0.02) =   0.010%
          QB    SER  117 - HG    LEU  123   9.31 +/- 0.94   3.331% *  0.1665% (0.23  1.00   0.02   0.02) =   0.009%
          HA    LYS+  65 - HG    LEU  123  15.54 +/- 2.57   1.144% *  0.4078% (0.57  1.00   0.02   0.02) =   0.007%
        T HD2   PRO   52 - HG    LEU  123  22.98 +/- 2.42   0.312% *  1.2175% (0.17 10.00   0.02   0.02) =   0.006%
          QB    SER   48 - HG    LEU  123  23.12 +/- 4.26   0.734% *  0.4235% (0.60  1.00   0.02   0.02) =   0.005%
          HB    THR   94 - HG    LEU  123  20.21 +/- 1.94   0.505% *  0.3731% (0.52  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - HG    LEU  123  28.59 +/- 4.33   0.322% *  0.4379% (0.62  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HG    LEU  123  23.58 +/- 2.73   0.285% *  0.2961% (0.42  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.81, residual support = 204.8:
          HN    LEU  123 - HG    LEU  123   3.58 +/- 0.21  97.056% * 99.5544% (0.36   5.81 204.81) =  99.995%  kept
          HE21  GLN   17 - HG    LEU  123  18.72 +/- 5.88   2.304% *  0.1288% (0.14   0.02   0.02) =   0.003%
          HZ2   TRP   49 - HG    LEU  123  23.13 +/- 4.51   0.640% *  0.3168% (0.33   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 3.06, residual support = 27.4:
          HA    ALA  120 - HB3   LEU  123   3.59 +/- 0.53  79.849% * 78.4280% (0.99   3.14  28.30) =  96.351%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.80 +/- 0.62  12.484% * 18.8185% (0.69   1.09   2.28) =   3.615%  kept
          HA2   GLY   16 - HB3   LEU  123  18.51 +/- 5.24   1.451% *  0.4525% (0.90   0.02   0.02) =   0.010%
          QB    SER  117 - HB3   LEU  123  10.21 +/- 0.73   3.726% *  0.1721% (0.34   0.02   0.02) =   0.010%
          HA    LYS+  65 - HB3   LEU  123  17.12 +/- 2.79   0.982% *  0.4214% (0.84   0.02   0.02) =   0.006%
          HB    THR   94 - HB3   LEU  123  21.96 +/- 1.93   0.409% *  0.3856% (0.76   0.02   0.02) =   0.002%
          QB    SER   48 - HB3   LEU  123  24.90 +/- 4.22   0.357% *  0.4376% (0.87   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   LEU  123  30.23 +/- 4.24   0.201% *  0.4525% (0.90   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   LEU  123  25.65 +/- 2.38   0.263% *  0.3060% (0.61   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB3   LEU  123  25.04 +/- 2.00   0.278% *  0.1258% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.92, support = 5.63, residual support = 176.8:
      O   HN    LEU  123 - HB3   LEU  123   3.45 +/- 0.33  42.983% * 88.3778% (0.98  10.0   5.81 204.81) =  85.470%  kept
          HN    ALA  124 - HB3   LEU  123   3.21 +/- 0.36  55.857% * 11.5602% (0.57   1.0   4.53  12.00) =  14.528%  kept
          HE21  GLN   17 - HB3   LEU  123  19.29 +/- 5.88   1.160% *  0.0619% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.911, support = 2.73, residual support = 21.5:
          HA    ALA  120 - HB2   LEU  123   2.46 +/- 0.97  84.104% * 23.5543% (0.99  1.00   3.18  28.30) =  73.915%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.62 +/- 0.90   9.364% * 74.5074% (0.69 10.00   1.45   2.28) =  26.031%  kept
        T HA    LYS+  65 - HB2   LEU  123  16.71 +/- 2.37   0.748% *  1.2478% (0.84 10.00   0.02   0.02) =   0.035%
          HA2   GLY   16 - HB2   LEU  123  18.28 +/- 4.88   1.863% *  0.1340% (0.90  1.00   0.02   0.02) =   0.009%
          QB    SER  117 - HB2   LEU  123   9.15 +/- 1.11   2.540% *  0.0510% (0.34  1.00   0.02   0.02) =   0.005%
          HB    THR   94 - HB2   LEU  123  20.76 +/- 1.89   0.425% *  0.1142% (0.76  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB2   LEU  123  24.15 +/- 4.04   0.357% *  0.1296% (0.87  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HB2   LEU  123  29.24 +/- 3.92   0.236% *  0.1340% (0.90  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LEU  123  25.01 +/- 2.25   0.174% *  0.0906% (0.61  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   LEU  123  24.29 +/- 2.04   0.189% *  0.0373% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.966, support = 6.33, residual support = 198.4:
      O   HN    LEU  123 - HB2   LEU  123   2.45 +/- 0.44  76.882% * 89.1613% (0.98  10.0   6.40 204.81) =  96.666%  kept
          HN    ALA  124 - HB2   LEU  123   4.15 +/- 0.21  21.932% * 10.7762% (0.57   1.0   4.19  12.00) =   3.333%  kept
          HE21  GLN   17 - HB2   LEU  123  18.97 +/- 5.78   1.186% *  0.0625% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.562, support = 5.08, residual support = 28.0:
        T HA    ALA  120 - QD1   LEU  123   2.64 +/- 0.60  77.140% * 93.5983% (0.57 10.00   5.11  28.30) =  98.812%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.57 +/- 0.84  17.168% *  5.0084% (0.20  1.00   3.06   2.28) =   1.177%  kept
          HA    LYS+  65 - QD1   LEU  123  12.13 +/- 2.30   1.538% *  0.1564% (0.95  1.00   0.02   0.02) =   0.003%
        T HA    SER   48 - QD1   LEU  123  19.83 +/- 3.45   0.367% *  0.5103% (0.31 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QD1   LEU  123  14.71 +/- 3.82   1.077% *  0.1483% (0.90  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD1   LEU  123  23.44 +/- 3.50   0.420% *  0.1483% (0.90  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD1   LEU  123  18.09 +/- 5.15   0.518% *  0.0936% (0.57  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD1   LEU  123  18.75 +/- 1.82   0.341% *  0.1263% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU  123  18.78 +/- 3.57   0.460% *  0.0564% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.39 +/- 1.70   0.476% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  25.44 +/- 2.87   0.197% *  0.0870% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.28 +/- 2.13   0.298% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.578, support = 1.83, residual support = 9.21:
      O   HN    ALA  124 - QB    ALA  124   2.29 +/- 0.30  89.023% * 79.2561% (0.57  10.0   1.80   9.12) =  97.056%  kept
          HN    LEU  123 - QB    ALA  124   5.37 +/- 0.49  10.367% * 20.6373% (0.98   1.0   2.71  12.00) =   2.943%  kept
          HE21  GLN   17 - QB    ALA  124  16.80 +/- 4.99   0.610% *  0.1067% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 1.82, residual support = 9.17:
      O   HN    ALA  124 - HA    ALA  124   2.75 +/- 0.24  80.180% * 88.9168% (0.98  10.0   1.80   9.12) =  98.176%  kept
          HN    LEU  123 - HA    ALA  124   5.45 +/- 0.43  12.101% * 10.9305% (0.80   1.0   2.71  12.00) =   1.821%  kept
          HE21  GLN   17 - HA    ALA  124  19.61 +/- 5.84   1.104% *  0.1006% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ALA  120 - HA    ALA  124   9.32 +/- 1.24   3.427% *  0.0176% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA   34  15.23 +/- 4.14   1.654% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  19.27 +/- 7.43   0.537% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  17.84 +/- 6.29   0.646% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  19.65 +/- 4.44   0.351% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.929, support = 4.72, residual support = 67.1:
      O   HN    ALA  124 - HA    LEU  123   2.26 +/- 0.04  65.313% * 55.0021% (0.98  10.0   4.11  12.00) =  71.401%  kept
      O   HN    LEU  123 - HA    LEU  123   2.87 +/- 0.06  32.022% * 44.9320% (0.80  10.0   6.24 204.81) =  28.598%  kept
          HE21  GLN   17 - HA    LEU  123  17.97 +/- 5.71   0.418% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    LEU  123   6.97 +/- 0.22   2.247% *  0.0098% (0.18   1.0   0.02  28.30) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  16.45 +/- 6.48 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.38 A violated in 20 structures by 13.08 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.98, residual support = 23.5:
      O   HN    ILE  103 - HA    LYS+ 102   2.31 +/- 0.12  99.275% * 99.7350% (0.69  10.0   5.98  23.51) = 100.000%  kept
          HN    SER   82 - HA    LYS+ 102  24.17 +/- 5.49   0.146% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA    LYS+ 102  24.29 +/- 3.59   0.110% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.01 +/- 4.77   0.291% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.36 +/- 0.88   0.177% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.9:
      O   HN    PHE   95 - HA    THR   94   2.32 +/- 0.19 100.000% *100.0000% (0.73  10.0   3.16  14.87) = 100.000%  kept
    Distance limit 2.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.83, residual support = 86.0:
      O   HN    LEU   80 - HB2   LEU   80   2.82 +/- 0.49  97.729% * 99.7811% (1.00  10.0   5.83  86.01) =  99.999%  kept
          HN    ALA   34 - HB2   LEU   80  22.19 +/- 6.25   0.652% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   80  17.38 +/- 2.71   0.552% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  21.67 +/- 7.53   1.067% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.24, residual support = 86.0:
      O   HN    LEU   80 - HB3   LEU   80   3.38 +/- 0.37  97.199% * 99.7811% (1.00  10.0   6.24  86.01) =  99.998%  kept
          HN    CYS   53 - HB3   LEU   80  17.63 +/- 2.75   1.038% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HB3   LEU   80  23.00 +/- 6.49   0.705% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  22.43 +/- 7.80   1.058% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.37, residual support = 85.8:
      O   HA    LEU   80 - HB3   LEU   80   2.83 +/- 0.15  88.592% * 96.3989% (0.98  10.0   5.38  86.01) =  99.737%  kept
          HA    ASP-  78 - HB3   LEU   80   6.96 +/- 0.61   6.585% *  3.3611% (0.61   1.0   1.13   7.12) =   0.258%  kept
          HA    THR   23 - HB3   LEU   80  17.50 +/- 8.78   2.981% *  0.0882% (0.90   1.0   0.02   0.25) =   0.003%
          HB    THR   23 - HB3   LEU   80  19.27 +/- 8.73   1.496% *  0.0882% (0.90   1.0   0.02   0.25) =   0.002%
          HA    ASP- 105 - HB3   LEU   80  22.14 +/- 5.36   0.346% *  0.0636% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.441, support = 4.34, residual support = 86.0:
      O   QD2   LEU   80 - HB3   LEU   80   3.05 +/- 0.34  35.335% * 77.3053% (0.57  10.0  1.00   4.17  86.01) =  70.915%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.46 +/- 0.27  60.494% * 18.4793% (0.14  10.0  1.00   4.79  86.01) =  29.021%  kept
        T QD1   LEU   73 - HB3   LEU   80  12.69 +/- 3.56   1.110% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.036%
        T QD1   LEU   63 - HB3   LEU   80  16.32 +/- 3.91   0.343% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.011%
        T QD2   LEU   63 - HB3   LEU   80  16.81 +/- 3.88   0.288% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU  104 - HB3   LEU   80  19.79 +/- 5.32   0.516% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   41 - HB3   LEU   80  14.26 +/- 4.23   0.845% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   80  17.43 +/- 2.67   0.220% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  15.38 +/- 5.29   0.848% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.88, residual support = 85.8:
      O   HA    LEU   80 - HG    LEU   80   3.50 +/- 0.38  59.139% * 96.8222% (0.63  10.0   4.89  86.01) =  99.773%  kept
          HA    ASP-  78 - HG    LEU   80   8.46 +/- 0.67   4.863% *  2.3441% (0.39   1.0   0.78   7.12) =   0.199%  kept
          HA    THR   23 - HG    LEU   80  16.88 +/- 9.25   4.873% *  0.0886% (0.58   1.0   0.02   0.25) =   0.008%
          HB    THR   23 - HG12  ILE   19  11.42 +/- 2.42   6.495% *  0.0301% (0.20   1.0   0.02   0.02) =   0.003%
          HB    THR   23 - HG    LEU   80  18.63 +/- 9.22   2.177% *  0.0886% (0.58   1.0   0.02   0.25) =   0.003%
          HA    THR   23 - HG    LEU   73  11.46 +/- 5.05   4.398% *  0.0352% (0.23   1.0   0.02   0.43) =   0.003%
          HB    THR   23 - HG    LEU   73  12.40 +/- 5.52   3.848% *  0.0352% (0.23   1.0   0.02   0.43) =   0.002%
          HA    ASP- 105 - HG    LEU   40  13.07 +/- 2.30   1.939% *  0.0481% (0.31   1.0   0.02   0.02) =   0.002%
          HA    THR   23 - HG12  ILE   19  11.22 +/- 1.89   2.545% *  0.0301% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG12  ILE   19  20.22 +/- 8.88   2.110% *  0.0330% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  15.43 +/- 4.09   1.429% *  0.0384% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   73  16.55 +/- 3.69   1.807% *  0.0254% (0.17   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  18.23 +/- 2.60   0.676% *  0.0667% (0.44   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  22.31 +/- 6.34   0.577% *  0.0639% (0.42   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  18.82 +/- 2.66   0.547% *  0.0667% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   40  21.41 +/- 3.05   0.346% *  0.0729% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.68 +/- 1.42   0.743% *  0.0238% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  21.15 +/- 6.87   0.766% *  0.0204% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  21.89 +/- 1.54   0.291% *  0.0451% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.00 +/- 2.79   0.431% *  0.0217% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.201, support = 5.03, residual support = 138.5:
          HN    LEU   73 - HG    LEU   73   3.11 +/- 0.74  32.023% * 42.0357% (0.20   5.68 172.23) =  68.587%  kept
          HN    VAL   42 - HG    LEU   40   5.68 +/- 1.28   8.642% * 32.7343% (0.37   2.33   1.69) =  14.414%  kept
          HN    ILE   19 - HG12  ILE   19   3.35 +/- 0.70  27.811% *  8.1314% (0.03   6.35 173.62) =  11.522%  kept
          HN    VAL   42 - HG    LEU   73   8.05 +/- 2.69   7.336% *  8.6419% (0.20   1.17   1.02) =   3.230%  kept
          HN    LEU   73 - HG12  ILE   19   9.64 +/- 6.08   8.324% *  2.5787% (0.17   0.41   4.66) =   1.094%  kept
          HN    ILE   19 - HG    LEU   73   9.66 +/- 7.25   5.727% *  3.5778% (0.04   2.39   4.66) =   1.044%  kept
          HN    LEU   73 - HG    LEU   40   8.61 +/- 1.81   3.238% *  0.2806% (0.37   0.02   0.02) =   0.046%
          HN    LEU   73 - HG    LEU   80  15.14 +/- 4.68   0.767% *  0.3730% (0.49   0.02   0.02) =   0.015%
          HN    VAL   42 - HG    LEU   80  15.75 +/- 5.25   0.703% *  0.3730% (0.49   0.02   0.02) =   0.013%
          HN    VAL   42 - HG12  ILE   19  12.23 +/- 5.06   1.660% *  0.1269% (0.17   0.02   0.02) =   0.011%
          HN    LYS+ 106 - HG    LEU   40  13.88 +/- 2.13   0.431% *  0.3067% (0.41   0.02   0.02) =   0.007%
          HN    ILE   19 - HG    LEU   40  12.06 +/- 4.12   1.741% *  0.0567% (0.08   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HG    LEU   80  21.29 +/- 6.10   0.238% *  0.4076% (0.54   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HG    LEU   73  16.23 +/- 3.72   0.475% *  0.1618% (0.21   0.02   0.02) =   0.004%
          HN    ILE   19 - HG    LEU   80  19.51 +/-10.32   0.744% *  0.0753% (0.10   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG12  ILE   19  20.39 +/- 2.60   0.138% *  0.1387% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.97, residual support = 172.2:
      O T HA    LYS+  99 - HB3   LYS+  99   2.83 +/- 0.32  85.014% * 93.4974% (0.76  10.0 10.00   6.00 173.11) =  99.477%  kept
          HA    LEU   40 - HB3   LYS+  99   7.48 +/- 2.10   9.144% *  4.4714% (0.65   1.0  1.00   1.13   7.33) =   0.512%  kept
          HA    ASN   35 - HB3   LYS+  99  10.70 +/- 2.92   3.312% *  0.1097% (0.90   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ILE   56 - HB3   LYS+  99  22.83 +/- 2.58   0.211% *  1.1294% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB3   LYS+  99  17.39 +/- 6.59   1.235% *  0.1199% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP- 113 - HB3   LYS+  99  21.55 +/- 2.06   0.213% *  0.5030% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  18.73 +/- 2.60   0.365% *  0.0548% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.06 +/- 3.96   0.304% *  0.0548% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.97 +/- 2.20   0.201% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.88, residual support = 173.1:
      O   HN    LYS+  99 - HB3   LYS+  99   3.11 +/- 0.37  91.041% * 99.4797% (0.31  10.0   3.88 173.11) =  99.985%  kept
          HN    ASN   35 - HB3   LYS+  99  10.94 +/- 2.63   3.167% *  0.2692% (0.84   1.0   0.02   0.02) =   0.009%
          HE1   HIS  122 - HB3   LYS+  99  13.67 +/- 5.91   4.865% *  0.0804% (0.25   1.0   0.02   0.02) =   0.004%
          HN    ALA   12 - HB3   LYS+  99  25.29 +/- 4.19   0.375% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  20.89 +/- 3.56   0.551% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 18.4:
        T QD1   LEU  104 - HB3   LYS+  99   3.12 +/- 1.85  81.396% * 97.7087% (0.41 10.00   2.00  18.46) =  99.940%  kept
        T QG2   ILE   89 - HB3   LYS+  99  19.56 +/- 2.58   1.682% *  1.9852% (0.84 10.00   0.02   0.02) =   0.042%
          QG1   VAL   83 - HB3   LYS+  99  18.81 +/- 4.95   3.748% *  0.2062% (0.87  1.00   0.02   0.02) =   0.010%
          QD2   LEU  115 - HB3   LYS+  99  14.92 +/- 2.08   9.445% *  0.0470% (0.20  1.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB3   LYS+  99  19.59 +/- 5.29   3.729% *  0.0529% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 1 structures by 0.46 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.759, support = 1.7, residual support = 7.1:
        T QD2   LEU   40 - HB3   LYS+  99   6.22 +/- 2.62  45.808% * 95.1390% (0.76 10.00   1.73   7.33) =  96.551%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.84 +/- 0.90  34.061% *  4.5142% (0.61  1.00   1.03   0.71) =   3.406%  kept
          QD1   LEU   67 - HB3   LYS+  99  12.84 +/- 3.72  14.244% *  0.1046% (0.73  1.00   0.02   0.02) =   0.033%
          HB    VAL   75 - HB3   LYS+  99  16.48 +/- 2.10   1.930% *  0.1362% (0.95  1.00   0.02   0.02) =   0.006%
          QD1   ILE  119 - HB3   LYS+  99  15.17 +/- 2.69   2.847% *  0.0359% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB3   LYS+  99  20.39 +/- 2.46   1.110% *  0.0701% (0.49  1.00   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 6 structures by 1.14 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.63, residual support = 173.1:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.64 +/- 0.21  92.797% * 99.4593% (0.97  10.0   5.63 173.11) =  99.995%  kept
          HG2   LYS+  38 - HB3   LYS+  99  11.45 +/- 2.55   2.070% *  0.1028% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB3   LYS+  99  12.01 +/- 2.97   2.070% *  0.0708% (0.69   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB3   LYS+  99  15.96 +/- 2.58   0.574% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  15.81 +/- 6.26   1.067% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.31 +/- 1.59   0.365% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  22.57 +/- 3.13   0.194% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.76 +/- 1.73   0.193% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.44 +/- 1.79   0.457% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  23.77 +/- 5.39   0.213% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.1:
      O T HB2   LYS+  99 - HA    LYS+  99   2.57 +/- 0.22  97.894% * 99.7492% (0.99  10.0 10.00   7.00 173.11) =  99.998%  kept
          HB    VAL   43 - HA    LYS+  99  11.90 +/- 1.42   1.231% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  99  18.41 +/- 3.73   0.738% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  24.67 +/- 3.31   0.137% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.685, support = 5.21, residual support = 181.5:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.74 +/- 0.32  26.630% * 58.3907% (0.99  10.0  1.00   5.18 173.11) =  53.031%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.33 +/- 0.15  40.493% * 20.0954% (0.34  10.0 10.00   5.27 173.11) =  27.752%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.68 +/- 0.23  28.224% * 19.9563% (0.34  10.0 10.00   5.20 216.93) =  19.209%  kept
        T QD    LYS+ 106 - HG3   LYS+  99  12.20 +/- 1.43   0.377% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+  38  10.08 +/- 3.63   2.279% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+  99  19.57 +/- 1.62   0.072% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG12  ILE   89  14.17 +/- 3.37   0.401% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  25.53 +/- 3.52   0.040% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HG12  ILE   89  14.50 +/- 2.90   0.291% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  22.91 +/- 2.88   0.052% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  11.96 +/- 2.81   0.581% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.38 +/- 2.51   0.046% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  17.24 +/- 2.96   0.153% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.41 +/- 2.04   0.081% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  24.32 +/- 3.43   0.048% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  17.74 +/- 2.91   0.112% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  29.95 +/- 4.11   0.023% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  18.32 +/- 2.35   0.099% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.43, residual support = 173.1:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.59 +/- 0.22  92.402% * 97.9462% (0.99  10.0 10.00   6.44 173.11) =  99.983%  kept
        T HB    VAL   43 - HG12  ILE   89  13.25 +/- 3.22   1.518% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.006%
        T HB    VAL   43 - HG3   LYS+  99  14.46 +/- 1.55   0.595% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LYS+  99 - HG3   LYS+  38  12.04 +/- 3.14   1.838% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG12  ILE   89  10.33 +/- 1.62   1.926% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG12  ILE   89  23.65 +/- 3.45   0.156% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  19.11 +/- 3.84   0.515% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.77 +/- 3.62   0.098% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  27.46 +/- 6.86   0.144% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  18.52 +/- 1.64   0.295% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  18.38 +/- 4.06   0.438% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.78 +/- 2.85   0.075% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 119.7:
    * O   HA    GLN  116 - HG3   GLN  116   3.34 +/- 0.60  95.720% * 99.5202% (1.00  10.0   5.43 119.68) =  99.997%  kept
          HA    VAL   70 - HG3   GLN  116  17.52 +/- 3.77   1.115% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  20.45 +/- 4.02   0.659% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  26.38 +/- 3.82   0.398% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  20.61 +/- 3.57   0.896% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  26.74 +/- 2.94   0.244% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  24.95 +/- 2.88   0.302% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  28.26 +/- 3.76   0.227% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  22.79 +/- 4.25   0.440% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 119.7:
      O   HB2   GLN  116 - HG3   GLN  116   2.58 +/- 0.33  90.841% * 99.6757% (0.98  10.0   5.93 119.68) =  99.995%  kept
          HB2   PRO   58 - HG3   GLN  116   8.83 +/- 2.53   7.998% *  0.0456% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   PHE   97 - HG3   GLN  116  14.97 +/- 2.23   0.693% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG3   GLN  116  25.49 +/- 2.39   0.126% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  22.50 +/- 2.63   0.195% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  24.62 +/- 3.27   0.145% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 6.76, residual support = 97.9:
          QD2   LEU  115 - HG3   GLN  116   4.53 +/- 1.12  56.578% * 96.3029% (0.97   6.82  98.87) =  99.062%  kept
          QD1   LEU   63 - HG3   GLN  116   9.54 +/- 2.38  17.679% *  2.6997% (0.69   0.27   0.02) =   0.868%  kept
          QD1   LEU   73 - HG3   GLN  116  15.85 +/- 5.42  13.113% *  0.2010% (0.69   0.02   0.02) =   0.048%
          QD2   LEU   63 - HG3   GLN  116  10.43 +/- 2.38   9.690% *  0.0452% (0.15   0.02   0.02) =   0.008%
          QD1   LEU  104 - HG3   GLN  116  15.56 +/- 2.35   1.458% *  0.2869% (0.98   0.02   0.02) =   0.008%
          QD2   LEU   80 - HG3   GLN  116  21.14 +/- 2.84   0.794% *  0.2869% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG3   GLN  116  20.46 +/- 2.86   0.687% *  0.1775% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 1 structures by 0.40 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.41, residual support = 119.7:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.561% * 99.7025% (0.98  10.0  1.00   6.41 119.68) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  11.68 +/- 1.30   0.383% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  28.43 +/- 5.98   0.056% *  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 = 119.5:
      O   HE21  GLN  116 - HG3   GLN  116   3.38 +/- 0.46  72.953% * 99.1543% (0.69  10.0   4.14 119.68) =  99.848%  kept
          HN    ALA  120 - HG3   GLN  116   6.32 +/- 1.02  17.418% *  0.5738% (0.31   1.0   0.26   0.20) =   0.138%  kept
          HN    ALA   57 - HG3   GLN  116   9.81 +/- 2.97   9.258% *  0.1103% (0.76   1.0   0.02   0.02) =   0.014%
          HE21  GLN   90 - HG3   GLN  116  26.09 +/- 2.45   0.192% *  0.1393% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  27.16 +/- 4.29   0.180% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.694, support = 7.25, residual support = 114.1:
          HN    GLN  116 - HG3   GLN  116   3.87 +/- 0.50  58.735% * 82.6777% (0.69   7.56 119.68) =  95.298%  kept
          HN    THR  118 - HG3   GLN  116   6.50 +/- 0.62  14.261% * 14.6897% (0.92   1.00   0.13) =   4.111%  kept
          HN    GLU- 114 - HG3   GLN  116   6.95 +/- 1.07  11.709% *  2.1594% (0.25   0.54   1.91) =   0.496%  kept
          HN    PHE   60 - HG3   GLN  116   9.09 +/- 2.67  15.017% *  0.3183% (1.00   0.02   0.02) =   0.094%
          HN    GLU-  15 - HG3   GLN  116  25.44 +/- 3.49   0.279% *  0.1549% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.911, support = 6.58, residual support = 176.5:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  41.304% * 82.3514% (1.00  10.0 10.00   6.59 173.11) =  90.303%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  41.304% *  8.3117% (0.10  10.0 10.00   6.55 220.94) =   9.114%  kept
          QB    ALA   88 - HG12  ILE   89   4.91 +/- 0.68   2.254% *  5.9374% (0.28   1.0  1.00   5.16   9.51) =   0.355%  kept
          QB    ALA   84 - HG12  ILE   89   4.52 +/- 1.58   9.704% *  0.8278% (0.07   1.0  1.00   2.82  14.42) =   0.213%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  10.53 +/- 3.46   0.461% *  0.7965% (0.97   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  99 - HG3   LYS+  38  10.55 +/- 3.40   0.500% *  0.0859% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  16.40 +/- 3.56   0.085% *  0.3090% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  99  11.97 +/- 3.59   0.365% *  0.0716% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG3   LYS+  99   7.20 +/- 1.27   0.839% *  0.0206% (0.25   1.0  1.00   0.02  18.60) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.22 +/- 1.86   0.019% *  0.7619% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   7.27 +/- 1.72   0.985% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.77 +/- 1.92   0.379% *  0.0243% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  16.04 +/- 6.21   0.123% *  0.0282% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.82 +/- 2.63   0.061% *  0.0501% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  11.35 +/- 2.22   0.335% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  13.35 +/- 2.31   0.128% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.75 +/- 1.82   0.044% *  0.0402% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.77 +/- 5.44   0.025% *  0.0599% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.98 +/- 1.72   0.254% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  19.55 +/- 3.77   0.060% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.68 +/- 3.40   0.021% *  0.0567% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  23.95 +/- 5.80   0.038% *  0.0290% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.33 +/- 1.87   0.041% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.89 +/- 8.18   0.185% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  25.86 +/- 3.62   0.016% *  0.0334% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.58 +/- 2.82   0.177% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  20.16 +/- 4.30   0.043% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  29.34 +/- 4.03   0.011% *  0.0323% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  22.37 +/- 2.80   0.024% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.05 +/- 3.52   0.060% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.38 +/- 1.33   0.024% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  27.19 +/- 3.18   0.013% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.32 +/- 1.38   0.024% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  27.04 +/- 4.14   0.014% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  27.50 +/- 3.95   0.014% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.64 +/- 2.77   0.009% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.13 +/- 2.18   0.028% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  25.16 +/- 2.47   0.016% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  25.94 +/- 2.25   0.014% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    113
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1246
      with multiple volume contributions     :    985
      eliminated by violation filter         :     95
 
    Peaks:
      selected                               :   2700
      without assignment                     :    116
      with assignment                        :   2584
      with unique assignment                 :   1545
      with multiple assignment               :   1039
      with reference assignment              :   1605
      with identical reference assignment    :   1024
      with compatible reference assignment   :    573
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    979
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.9
    QD2   LEU   40       2.8
    QG2   ILE   56       3.0
    QD    PHE   60       3.1
    HN    LYS+  65       5.1
    HZ    PHE   72       2.9
    HA    LEU   73       3.0
    QG2   ILE   89       2.5
    QD1   ILE   89       3.9
    HB3   MET   96       2.8
    HA    THR  118       4.0
    QD1   ILE  119       3.2
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 72.2:
        T HA    PHE   60 - QD    PHE   60   2.67 +/- 0.56  76.876% * 98.3426% (0.87 10.00   3.95  72.27) =  99.897%  kept
        T QB    SER   48 - QD    PHE   60  10.93 +/- 3.55  13.058% *  0.4255% (0.38 10.00   0.02   0.02) =   0.073%
        T QB    SER  117 - QD    PHE   60  10.68 +/- 1.88   1.740% *  1.0168% (0.90 10.00   0.02   0.02) =   0.023%
          HB    THR   94 - QD    PHE   60   9.21 +/- 2.14   3.154% *  0.0552% (0.49  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    PHE   60  11.81 +/- 2.61   2.370% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  13.22 +/- 2.28   1.279% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  12.13 +/- 2.06   1.524% *  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 = 1.02, residual support = 74.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  92.984% * 81.0423% (0.69  10.0   1.01  74.38) =  99.075%  kept
          HN    TRP   87 - HZ3   TRP   87   7.31 +/- 0.35   3.783% * 18.4859% (0.61   1.0   2.60  74.38) =   0.919%  kept
          HN    GLN   17 - HZ3   TRP   87  27.32 +/- 8.46   1.209% *  0.1790% (0.76   1.0   0.02   0.02) =   0.003%
          HD21  ASN   69 - HZ3   TRP   87  24.73 +/- 6.43   1.001% *  0.1326% (0.57   1.0   0.02   0.02) =   0.002%
          HN    ALA   91 - HZ3   TRP   87  12.88 +/- 1.31   0.755% *  0.0723% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HZ3   TRP   87  20.78 +/- 3.28   0.268% *  0.0879% (0.38   1.0   0.02   0.02) =   0.000%
    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  20.27 +/- 4.34 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.38 A violated in 20 structures by 14.90 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 1.18, residual support = 6.06:
          QB    ALA   20 - HE1   HIS   22   3.41 +/- 0.36  80.981% * 93.8131% (0.76   1.19   6.09) =  99.548%  kept
          QG2   VAL  107 - HE1   HIS   22  18.80 +/- 4.47  16.065% *  1.9527% (0.95   0.02   0.02) =   0.411%  kept
          HG2   LYS+ 121 - HE1   HIS   22  23.79 +/- 5.76   0.788% *  2.0596% (1.00   0.02   0.02) =   0.021%
          HG13  ILE  103 - HE1   HIS   22  22.48 +/- 4.16   0.675% *  1.0860% (0.53   0.02   0.02) =   0.010%
          HB3   LEU   31 - HE1   HIS   22  17.09 +/- 1.94   0.836% *  0.5147% (0.25   0.02   0.02) =   0.006%
          HG13  ILE  119 - HE1   HIS   22  20.55 +/- 4.51   0.656% *  0.5739% (0.28   0.02   0.02) =   0.005%
    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 = 0.457, support = 4.49, residual support = 36.8:
          HN    ASN   28 - HD1   TRP   27   2.85 +/- 0.36  79.353% * 37.2039% (0.25   5.36  50.86) =  72.029%  kept
          HN    GLU-  25 - HD1   TRP   27   4.81 +/- 0.70  18.425% * 62.1647% (0.99   2.25   0.63) =  27.945%  kept
          HN    ASP-  44 - HD1   TRP   27  13.28 +/- 4.36   1.925% *  0.5455% (0.98   0.02   0.02) =   0.026%
          HN    ALA  110 - HD1   TRP   27  22.34 +/- 3.83   0.297% *  0.0859% (0.15   0.02   0.02) =   0.001%
    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 = 2.34, residual support = 107.2:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.34 107.21) = 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  98.996% * 99.9800% (0.89  10.0   1.56 107.21) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  13.36 +/- 2.60   1.004% *  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 = 4.17, residual support = 107.2:
          HA    TRP   27 - HE3   TRP   27   3.24 +/- 0.43  92.942% * 98.5447% (0.96   4.17 107.21) =  99.984%  kept
          HA    ALA   91 - HE3   TRP   27  20.08 +/- 5.66   1.675% *  0.4850% (0.98   0.02   0.02) =   0.009%
          HA    VAL  107 - HE3   TRP   27  17.74 +/- 2.89   0.797% *  0.4517% (0.91   0.02   0.02) =   0.004%
          HA    TRP   27 - HN    LEU   67  15.88 +/- 3.00   1.421% *  0.0735% (0.15   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  17.56 +/- 2.37   0.740% *  0.0703% (0.14   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  24.19 +/- 2.63   0.269% *  0.1836% (0.37   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    LEU   67  21.05 +/- 3.33   0.535% *  0.0755% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  20.58 +/- 2.35   0.388% *  0.0755% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  19.11 +/- 2.06   0.564% *  0.0286% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.72 +/- 3.05   0.669% *  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 = 4.5, residual support = 107.2:
      O   HB3   TRP   27 - HE3   TRP   27   2.60 +/- 0.14  84.318% * 98.0783% (0.17  10.0   4.50 107.21) =  99.951%  kept
          QE    LYS+  99 - HE3   TRP   27  11.72 +/- 3.28   4.336% *  0.4678% (0.83   1.0   0.02   0.02) =   0.025%
          QE    LYS+  38 - HE3   TRP   27  12.67 +/- 3.36   1.762% *  0.5551% (0.98   1.0   0.02   0.02) =   0.012%
          QE    LYS+ 102 - HE3   TRP   27  15.57 +/- 3.20   0.808% *  0.5405% (0.96   1.0   0.02   0.02) =   0.005%
          HB2   PHE   97 - HE3   TRP   27  12.73 +/- 3.45   4.737% *  0.0864% (0.15   1.0   0.02   0.02) =   0.005%
          QE    LYS+  99 - HN    LEU   67  14.46 +/- 4.15   1.105% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  15.30 +/- 3.20   0.818% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  20.01 +/- 3.45   0.284% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  14.51 +/- 2.83   1.159% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  15.37 +/- 3.10   0.673% *  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 = 0.62, support = 2.34, residual support = 13.8:
          QG1   VAL   43 - HE3   TRP   27   7.98 +/- 3.90  11.573% * 54.6034% (0.99   2.32   3.03) =  42.691%  kept
          QD2   LEU   73 - HE3   TRP   27   5.23 +/- 3.72  24.837% * 20.2601% (0.28   3.09  21.83) =  33.994%  kept
          HG    LEU   31 - HE3   TRP   27   4.35 +/- 0.68  19.767% * 14.4766% (0.41   1.49  26.15) =  19.332%  kept
          QD2   LEU  104 - HE3   TRP   27  11.52 +/- 3.77   7.419% *  3.8215% (0.34   0.48   1.54) =   1.915%  kept
          QG1   VAL   41 - HE3   TRP   27   8.21 +/- 2.39   4.395% *  5.3972% (0.94   0.24   0.02) =   1.602%  kept
          QG2   VAL   18 - HE3   TRP   27   8.59 +/- 2.46   8.497% *  0.4351% (0.91   0.02   0.02) =   0.250%  kept
          QD1   ILE   19 - HE3   TRP   27   6.62 +/- 1.75   9.198% *  0.2294% (0.48   0.02   0.02) =   0.143%  kept
          QG2   THR   46 - HE3   TRP   27  12.92 +/- 3.08   0.931% *  0.3937% (0.83   0.02   0.02) =   0.025%
          QG2   VAL   18 - HN    LEU   67  10.15 +/- 6.29   4.922% *  0.0677% (0.14   0.02   0.02) =   0.023%
          QG2   THR   46 - HN    LEU   67  11.07 +/- 2.27   2.064% *  0.0613% (0.13   0.02   0.02) =   0.009%
          QG1   VAL   43 - HN    LEU   67  11.43 +/- 1.14   1.000% *  0.0733% (0.15   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    LEU   67  11.81 +/- 1.33   1.013% *  0.0694% (0.15   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LEU   67   9.20 +/- 1.04   2.146% *  0.0204% (0.04   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   67  12.00 +/- 3.85   1.109% *  0.0357% (0.08   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LEU   67  15.83 +/- 2.79   0.595% *  0.0302% (0.06   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    LEU   67  14.79 +/- 2.70   0.533% *  0.0250% (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 = 0.509, support = 4.75, residual support = 15.0:
          QD1   LEU   73 - HE3   TRP   27   4.40 +/- 4.48  42.459% * 39.6198% (0.37   6.38  21.83) =  65.182%  kept
          QD1   LEU  104 - HE3   TRP   27  11.08 +/- 4.41  18.958% * 21.0685% (0.94   1.35   1.54) =  15.476%  kept
          QD2   LEU   80 - HE3   TRP   27  12.54 +/- 7.56  12.103% * 27.7467% (0.76   2.19   3.83) =  13.012%  kept
          QD1   LEU   63 - HE3   TRP   27  10.41 +/- 3.59  16.423% *  9.7944% (0.37   1.58   0.47) =   6.233%  kept
          QG1   VAL   83 - HE3   TRP   27  13.71 +/- 6.26   1.717% *  1.2135% (0.89   0.08   0.02) =   0.081%
          QD2   LEU  115 - HE3   TRP   27  14.75 +/- 2.71   0.870% *  0.2404% (0.72   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   67   5.93 +/- 0.88   4.676% *  0.0193% (0.06   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LEU   67  10.77 +/- 1.60   0.851% *  0.0374% (0.11   0.02   0.02) =   0.001%
          QG2   ILE   89 - HE3   TRP   27  15.97 +/- 3.99   0.252% *  0.0921% (0.28   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   67  14.06 +/- 3.01   0.372% *  0.0487% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  10.85 +/- 1.33   0.710% *  0.0193% (0.06   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   67  16.21 +/- 2.71   0.283% *  0.0394% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  17.10 +/- 2.95   0.155% *  0.0462% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  17.27 +/- 2.86   0.171% *  0.0143% (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 = 0.663, support = 0.624, residual support = 0.902:
          QG2   VAL   75 - HE3   TRP   27   7.85 +/- 4.19  34.252% * 56.3078% (0.72   0.63   1.22) =  65.043%  kept
          QG2   VAL   42 - HE3   TRP   27   8.10 +/- 2.01  23.762% * 43.1970% (0.56   0.62   0.32) =  34.617%  kept
          QG2   VAL   42 - HN    LEU   67   7.88 +/- 2.24  26.208% *  0.2169% (0.09   0.02   0.02) =   0.192%  kept
          QG2   VAL   75 - HN    LEU   67   9.97 +/- 1.41  15.778% *  0.2782% (0.11   0.02   0.02) =   0.148%  kept
    Distance limit 4.60 A violated in 4 structures by 1.01 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.73, residual support = 35.2:
      O T HB2   HIS   22 - HD2   HIS   22   3.80 +/- 0.36  95.779% * 99.9216% (0.92  10.0 10.00   2.73  35.21) =  99.998%  kept
          HA    LEU   63 - HD2   HIS   22  17.82 +/- 4.78   2.964% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 112 - HD2   HIS   22  22.93 +/- 5.69   1.257% *  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 = 3.28, residual support = 35.2:
      O T HB3   HIS   22 - HD2   HIS   22   3.12 +/- 0.40  99.534% * 99.8217% (0.45  10.0 10.00   3.28  35.21) =  99.999%  kept
          HD3   ARG+  54 - HD2   HIS   22  25.31 +/- 5.36   0.466% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 0.79, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  11.51 +/- 5.68  39.974% * 29.7119% (0.92   0.02   0.02) =  58.434%  kept
          HB3   ASP-  78 - HD2   HIS   22  17.69 +/- 6.57  14.792% * 19.5221% (0.61   0.02   0.02) =  14.208%  kept
          QB    CYS   50 - HD2   HIS   22  19.85 +/- 5.05   8.264% * 28.8658% (0.90   0.02   0.02) =  11.737%  kept
          HB3   ASN   69 - HD2   HIS   22  20.86 +/- 2.39  11.190% * 16.9340% (0.53   0.02   0.02) =   9.323%  kept
          HB2   PHE   72 - HD2   HIS   22  13.59 +/- 3.99  25.780% *  4.9662% (0.15   0.02   0.02) =   6.299%  kept
    Distance limit 5.42 A violated in 16 structures by 4.50 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.26, residual support = 6.09:
        T QB    ALA   20 - HD2   HIS   22   3.38 +/- 0.65  94.606% * 98.9678% (0.28 10.00   2.26   6.09) =  99.987%  kept
          QG2   VAL  107 - HD2   HIS   22  18.11 +/- 4.07   1.830% *  0.3088% (0.87  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 121 - HD2   HIS   22  22.69 +/- 6.40   1.288% *  0.2303% (0.65  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HD2   HIS   22  20.88 +/- 3.20   0.602% *  0.3435% (0.97  1.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HD2   HIS   22  16.85 +/- 2.44   0.990% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  23.91 +/- 6.16   0.683% *  0.0792% (0.22  1.00   0.02   0.02) =   0.001%
    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  19.65 +/- 3.47 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.36 A violated in 20 structures by 14.29 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.22, residual support = 9.03:
          HA    CYS   21 - HD2   HIS   22   3.83 +/- 0.11  90.253% * 97.4244% (0.95   3.23   9.04) =  99.963%  kept
          HA    ALA   47 - HD2   HIS   22  20.37 +/- 6.59   4.540% *  0.1775% (0.28   0.02   0.02) =   0.009%
          HA    LYS+ 102 - HD2   HIS   22  22.80 +/- 4.79   1.922% *  0.4130% (0.65   0.02   0.02) =   0.009%
          HA    TRP   49 - HD2   HIS   22  23.57 +/- 6.84   1.235% *  0.6385% (1.00   0.02   0.02) =   0.009%
          HA    CYS   50 - HD2   HIS   22  23.05 +/- 6.08   0.890% *  0.6040% (0.95   0.02   0.02) =   0.006%
          HA1   GLY  109 - HD2   HIS   22  25.80 +/- 4.36   0.455% *  0.6162% (0.97   0.02   0.02) =   0.003%
          HA    VAL  108 - HD2   HIS   22  22.83 +/- 3.84   0.705% *  0.1264% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.11 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 = 0.96, support = 3.19, residual support = 49.4:
          HA    ASN   28 - HD1   TRP   27   4.00 +/- 0.21  68.415% * 79.0607% (1.00   3.22  50.86) =  94.756%  kept
          HA    THR   26 - HD1   TRP   27   6.61 +/- 0.50  15.872% * 18.5447% (0.28   2.71  22.69) =   5.156%  kept
          HA    LEU  115 - HD1   TRP   27  20.02 +/- 4.67   4.066% *  0.4872% (0.99   0.02   0.02) =   0.035%
          HA    ALA   34 - HD1   TRP   27  12.73 +/- 0.58   2.201% *  0.4538% (0.92   0.02   0.02) =   0.017%
          HA1   GLY  101 - HD1   TRP   27  17.46 +/- 5.03   2.407% *  0.3757% (0.76   0.02   0.02) =   0.016%
          HA    LYS+  81 - HD1   TRP   27  18.45 +/- 8.15   3.956% *  0.0973% (0.20   0.02   0.02) =   0.007%
          HA    GLU- 114 - HD1   TRP   27  23.36 +/- 5.00   0.970% *  0.2981% (0.61   0.02   0.02) =   0.005%
          HA    ALA  124 - HD1   TRP   27  23.87 +/- 6.36   0.796% *  0.2783% (0.57   0.02   0.02) =   0.004%
          HA    ARG+  54 - HD1   TRP   27  23.48 +/- 3.61   0.459% *  0.3377% (0.69   0.02   0.02) =   0.003%
          HA    GLU-  36 - HD1   TRP   27  17.33 +/- 0.56   0.857% *  0.0665% (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 = 5.04, residual support = 23.2:
          HA    VAL   24 - HD1   TRP   27   2.38 +/- 0.74  98.349% * 99.5149% (1.00   5.04  23.22) =  99.997%  kept
          HA    LYS+  38 - HD1   TRP   27  14.89 +/- 2.13   0.600% *  0.2718% (0.69   0.02   0.02) =   0.002%
          HD2   PRO   68 - HD1   TRP   27  18.04 +/- 4.22   0.597% *  0.1350% (0.34   0.02   0.02) =   0.001%
          HA    ALA   61 - HD1   TRP   27  17.30 +/- 3.63   0.454% *  0.0783% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.73 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   2.70 +/- 0.07  98.082% * 99.7544% (0.65  10.0 10.00   3.65 107.21) =  99.997%  kept
          HA    THR   77 - HD1   TRP   27  15.49 +/- 5.60   1.304% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  20.58 +/- 4.77   0.615% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.80 +/- 0.07  90.841% * 99.6316% (0.73  10.0 10.00   4.08 107.21) =  99.988%  kept
          HB2   PHE   97 - HD1   TRP   27  15.95 +/- 4.08   5.614% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 106 - HD1   TRP   27  16.72 +/- 4.46   1.895% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - HD1   TRP   27  17.33 +/- 3.54   1.650% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.81 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 = 0.72, support = 3.12, residual support = 23.2:
          QG2   VAL   24 - HD1   TRP   27   2.17 +/- 0.53  74.355% * 71.0177% (0.76  1.00   3.16  23.22) =  90.325%  kept
          QG1   VAL   24 - HD1   TRP   27   3.86 +/- 0.72  22.894% * 24.5596% (0.31  1.00   2.71  23.22) =   9.618%  kept
        T QG1   VAL  107 - HD1   TRP   27  15.93 +/- 3.49   0.704% *  3.8041% (0.65 10.00   0.02   0.02) =   0.046%
          HG    LEU   63 - HD1   TRP   27  16.15 +/- 4.92   1.728% *  0.3567% (0.61  1.00   0.02   0.47) =   0.011%
          HD3   LYS+ 112 - HD1   TRP   27  24.12 +/- 5.52   0.191% *  0.1309% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  23.18 +/- 4.70   0.129% *  0.1309% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.722, support = 2.63, residual support = 10.0:
          QD1   LEU   73 - HD1   TRP   27   6.62 +/- 4.59  31.186% * 26.9961% (0.49   3.61  21.83) =  38.455%  kept
          QD2   LEU   80 - HD1   TRP   27  12.19 +/- 8.60  24.277% * 31.5005% (0.87   2.36   3.83) =  34.931%  kept
          QD1   LEU  104 - HD1   TRP   27  13.60 +/- 4.87  14.210% * 28.7770% (0.99   1.89   1.54) =  18.678%  kept
          QD1   LEU   63 - HD1   TRP   27  13.06 +/- 4.34  14.696% *  7.9323% (0.49   1.06   0.47) =   5.325%  kept
          QG1   VAL   83 - HD1   TRP   27  13.62 +/- 7.71  12.622% *  4.4762% (0.80   0.36   0.02) =   2.581%  kept
          QD2   LEU  115 - HD1   TRP   27  16.96 +/- 3.76   2.420% *  0.2569% (0.84   0.02   0.02) =   0.028%
          QG2   ILE   89 - HD1   TRP   27  16.37 +/- 5.18   0.589% *  0.0609% (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 = 0.746, support = 1.92, residual support = 24.2:
          QD2   LEU   31 - HD1   TRP   27   4.33 +/- 0.88  71.375% * 80.1415% (0.73   2.05  26.15) =  92.470%  kept
          QG2   VAL   83 - HD1   TRP   27  14.21 +/- 6.55  24.441% * 18.8938% (1.00   0.35   0.02) =   7.465%  kept
          QD1   ILE   89 - HD1   TRP   27  16.37 +/- 5.01   4.184% *  0.9647% (0.90   0.02   0.02) =   0.065%
    Distance limit 4.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.32, residual support = 107.2:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  98.353% * 99.7536% (0.28  10.0 10.00   1.32 107.21) =  99.996%  kept
          HZ    PHE   72 - HH2   TRP   27  11.37 +/- 2.64   1.647% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.004%
    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 = 2.1, residual support = 107.2:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.10 107.21) = 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  95.962% * 99.6525% (1.00  10.0   1.56 107.21) =  99.997%  kept
          HN    THR   23 - HZ3   TRP   27  10.22 +/- 0.81   1.469% *  0.0779% (0.61   1.0   0.02   1.19) =   0.001%
          QE    PHE   95 - HZ3   TRP   27  13.26 +/- 2.32   0.825% *  0.0831% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  13.36 +/- 2.60   0.973% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  20.26 +/- 2.04   0.202% *  0.1259% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  18.41 +/- 6.44   0.570% *  0.0286% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.45 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 = 0.858, support = 1.15, residual support = 7.53:
        T QG1   VAL   43 - HH2   TRP   27   6.72 +/- 4.87  31.409% * 75.1620% (0.92 10.00   0.86   3.03) =  79.483%  kept
          HG    LEU   31 - HH2   TRP   27   4.03 +/- 1.26  31.202% * 14.5771% (0.65  1.00   2.37  26.15) =  15.313%  kept
          QD2   LEU   73 - HH2   TRP   27   6.23 +/- 2.91  15.710% *  9.6835% (0.49  1.00   2.09  21.83) =   5.122%  kept
          QG1   VAL   41 - HH2   TRP   27   7.36 +/- 2.47   6.564% *  0.1899% (1.00  1.00   0.02   0.02) =   0.042%
          QG2   VAL   18 - HH2   TRP   27  10.44 +/- 3.21   4.843% *  0.1382% (0.73  1.00   0.02   0.02) =   0.023%
          QD2   LEU  104 - HH2   TRP   27  10.20 +/- 3.61   5.963% *  0.0333% (0.18  1.00   0.02   1.54) =   0.007%
          QG2   THR   46 - HH2   TRP   27  12.93 +/- 3.41   1.208% *  0.1155% (0.61  1.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HH2   TRP   27   9.08 +/- 1.88   2.605% *  0.0529% (0.28  1.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HH2   TRP   27  15.48 +/- 3.31   0.495% *  0.0475% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.845, support = 1.59, residual support = 7.93:
        T QG1   VAL   43 - HZ3   TRP   27   6.89 +/- 4.15  20.202% * 81.1354% (0.92 10.00   1.34   3.03) =  77.064%  kept
          HG    LEU   31 - HZ3   TRP   27   3.91 +/- 1.27  28.036% * 10.9358% (0.65  1.00   2.57  26.15) =  14.415%  kept
          QD2   LEU   73 - HZ3   TRP   27   5.27 +/- 3.13  24.956% *  7.1282% (0.49  1.00   2.23  21.83) =   8.364%  kept
          QD2   LEU  104 - HZ3   TRP   27  10.35 +/- 3.34   3.077% *  0.4251% (0.18  1.00   0.37   1.54) =   0.062%
          QG1   VAL   41 - HZ3   TRP   27   7.02 +/- 2.28   6.565% *  0.1311% (1.00  1.00   0.02   0.02) =   0.040%
          QG2   VAL   18 - HZ3   TRP   27   9.15 +/- 2.99   8.817% *  0.0954% (0.73  1.00   0.02   0.02) =   0.040%
          QD1   ILE   19 - HZ3   TRP   27   7.55 +/- 1.91   6.959% *  0.0365% (0.28  1.00   0.02   0.02) =   0.012%
          QG2   THR   46 - HZ3   TRP   27  12.66 +/- 3.04   1.010% *  0.0797% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HZ3   TRP   27  15.27 +/- 2.62   0.378% *  0.0328% (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 = 0.855, support = 3.07, residual support = 17.8:
        T QD1   LEU   73 - HZ3   TRP   27   5.21 +/- 3.54  29.190% * 66.2193% (0.90 10.00   3.63  21.83) =  80.753%  kept
        T QD1   LEU   63 - HZ3   TRP   27   9.66 +/- 3.20  15.266% * 18.3608% (0.90 10.00   0.55   0.47) =  11.710%  kept
        T QD1   LEU  104 - HZ3   TRP   27  10.01 +/- 3.91  14.403% * 11.0347% (0.31 10.00   0.97   1.54) =   6.640%  kept
          QD2   LEU   80 - HZ3   TRP   27  12.86 +/- 6.92   4.655% *  2.7456% (0.53  1.00   1.41   3.83) =   0.534%  kept
          QD2   LEU   63 - HZ3   TRP   27   9.89 +/- 2.93   5.287% *  1.3684% (0.84  1.00   0.44   0.47) =   0.302%  kept
          QD1   LEU   80 - HZ3   TRP   27  13.92 +/- 7.19   4.808% *  0.1974% (0.15  1.00   0.35   3.83) =   0.040%
          QG2   VAL   41 - HZ3   TRP   27   6.69 +/- 3.45  20.394% *  0.0205% (0.28  1.00   0.02   0.02) =   0.017%
          QD2   LEU   98 - HZ3   TRP   27   8.61 +/- 2.80   5.025% *  0.0114% (0.15  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ3   TRP   27  14.04 +/- 2.88   0.971% *  0.0418% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 5.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 3.56, residual support = 26.1:
        T QD2   LEU   31 - HZ3   TRP   27   2.82 +/- 0.42  95.717% * 99.3388% (0.76 10.00   3.56  26.15) =  99.980%  kept
          QG2   VAL   83 - HZ3   TRP   27  13.58 +/- 5.18   3.238% *  0.5484% (1.00  1.00   0.08   0.02) =   0.019%
          QD1   ILE   89 - HZ3   TRP   27  15.40 +/- 3.71   1.045% *  0.1128% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.78 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 = 0.765, support = 3.57, residual support = 26.1:
          QD2   LEU   31 - HH2   TRP   27   3.19 +/- 0.24  88.614% * 96.4143% (0.76   3.58  26.15) =  99.670%  kept
          QG2   VAL   83 - HH2   TRP   27  13.14 +/- 5.63   9.038% *  2.9742% (1.00   0.08   0.02) =   0.314%  kept
          QD1   ILE   89 - HH2   TRP   27  15.04 +/- 4.31   2.348% *  0.6115% (0.87   0.02   0.02) =   0.017%
    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 = 0.939, support = 2.79, residual support = 16.8:
          QD1   LEU   73 - HH2   TRP   27   6.19 +/- 3.07  24.230% * 58.5619% (1.00   3.41  21.83) =  74.931%  kept
          QD1   LEU   63 - HH2   TRP   27  10.11 +/- 3.42  15.412% * 11.8067% (1.00   0.69   0.47) =   9.609%  kept
          QD1   LEU  104 - HH2   TRP   27  10.04 +/- 3.94  16.053% *  9.8896% (0.53   1.09   1.54) =   8.384%  kept
          QD2   LEU   80 - HH2   TRP   27  12.88 +/- 6.78   7.212% * 15.9439% (0.76   1.21   3.83) =   6.072%  kept
          QD2   LEU   63 - HH2   TRP   27  10.58 +/- 3.09   4.781% *  3.2579% (0.61   0.31   0.47) =   0.823%  kept
          QG1   VAL   83 - HH2   TRP   27  13.17 +/- 6.27   9.679% *  0.2173% (0.15   0.08   0.02) =   0.111%  kept
          QG2   VAL   41 - HH2   TRP   27   7.08 +/- 3.52  21.368% *  0.0466% (0.14   0.02   0.02) =   0.053%
          QD2   LEU  115 - HH2   TRP   27  14.33 +/- 3.53   1.265% *  0.2760% (0.80   0.02   0.02) =   0.018%
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.32, residual support = 107.2:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.32 107.21) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 2.54, residual support = 50.6:
          HD21  ASN   28 - HZ2   TRP   27   4.66 +/- 0.74  60.409% * 98.1446% (0.87   2.55  50.86) =  99.504%  kept
          HZ2   TRP   87 - HZ2   TRP   27  16.11 +/- 8.19  29.687% *  0.8695% (0.98   0.02   0.02) =   0.433%  kept
          QE    PHE   60 - HZ2   TRP   27  12.93 +/- 3.37   4.189% *  0.6093% (0.69   0.02   0.02) =   0.043%
          HN    LEU   63 - HZ2   TRP   27  15.67 +/- 3.64   4.773% *  0.2212% (0.25   0.02   0.47) =   0.018%
          HN    ILE   56 - HZ2   TRP   27  21.26 +/- 3.43   0.942% *  0.1554% (0.18   0.02   0.02) =   0.002%
    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 = 1.84, residual support = 107.2:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.84 107.21) = 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 = 0.02, residual support = 0.02:
          HE1   TRP   87 - HZ2   TRP   27  15.99 +/- 8.07 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 5.06 A violated in 16 structures by 11.25 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.601, support = 3.25, residual support = 19.7:
        T QD2   LEU   31 - HZ2   TRP   27   3.34 +/- 0.61  60.753% * 62.6175% (0.49 10.00   4.25  26.15) =  72.168%  kept
        T QG2   VAL   43 - HZ2   TRP   27   7.96 +/- 5.42  39.247% * 37.3825% (0.90 10.00   0.65   3.03) =  27.832%  kept
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.903, support = 2.2, residual support = 10.9:
        T QD1   ILE   89 - QD    PHE   45   4.77 +/- 2.36  50.684% * 91.8569% (0.90 10.00   2.24  11.48) =  93.829%  kept
          QG2   VAL   83 - QD    PHE   45   5.74 +/- 2.69  37.846% *  8.0688% (1.00  1.00   1.58   1.97) =   6.154%  kept
          QD2   LEU   31 - QD    PHE   45  11.80 +/- 3.38  11.470% *  0.0744% (0.73  1.00   0.02   0.02) =   0.017%
    Distance limit 4.40 A violated in 2 structures by 0.49 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 2.67, residual support = 8.84:
          QD1   ILE   89 - QE    PHE   45   5.02 +/- 2.88  45.829% * 69.4766% (0.97   3.18  11.48) =  72.268%  kept
          QG2   VAL   83 - QE    PHE   45   5.27 +/- 3.14  40.267% * 30.2487% (0.98   1.36   1.97) =  27.646%  kept
          QD2   LEU   31 - QE    PHE   45  11.07 +/- 3.58  13.904% *  0.2747% (0.61   0.02   0.02) =   0.087%
    Distance limit 4.31 A violated in 2 structures by 0.64 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.09, residual support = 17.4:
        T QG1   VAL   75 - QD    PHE   45   3.24 +/- 1.95  79.818% * 99.9034% (1.00 10.00   3.09  17.43) =  99.976%  kept
          QD1   LEU  115 - QD    PHE   45   8.77 +/- 1.53  20.182% *  0.0966% (0.97  1.00   0.02   0.02) =   0.024%
    Distance limit 4.62 A violated in 1 structures by 0.36 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 2.05, residual support = 17.4:
        T HB    VAL   75 - QD    PHE   45   5.36 +/- 2.36  48.969% * 98.5420% (0.99 10.00   2.06  17.43) =  99.780%  kept
          HG3   LYS+  74 - QD    PHE   45  10.38 +/- 1.33   6.914% *  1.2377% (0.38  1.00   0.66   0.02) =   0.177%  kept
          QG2   ILE  103 - QD    PHE   45   9.30 +/- 0.83  12.413% *  0.0484% (0.49  1.00   0.02   0.02) =   0.012%
          QD2   LEU   40 - QD    PHE   45  11.00 +/- 1.25   8.960% *  0.0643% (0.65  1.00   0.02   0.02) =   0.012%
          QD1   LEU   67 - QD    PHE   45  10.23 +/- 1.45   9.371% *  0.0603% (0.61  1.00   0.02   0.02) =   0.012%
          QD1   ILE  119 - QD    PHE   45  11.14 +/- 1.63   8.905% *  0.0339% (0.34  1.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - QD    PHE   45  13.29 +/- 1.89   4.467% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.79 A violated in 4 structures by 0.92 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.615, support = 3.22, residual support = 10.9:
        T QG2   THR   77 - QD    PHE   45   3.35 +/- 1.84  55.348% * 72.2775% (0.65 10.00   3.14  10.46) =  90.574%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.84 +/- 0.29  16.082% * 22.1108% (0.20 10.00   4.49  17.68) =   8.051%  kept
          QB    ALA   88 - QD    PHE   45   9.07 +/- 2.27  11.502% *  5.2095% (0.97  1.00   0.97   0.45) =   1.357%  kept
          HB3   LEU   80 - QD    PHE   45   8.63 +/- 3.62  11.656% *  0.0419% (0.38  1.00   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - QD    PHE   45  12.26 +/- 2.35   2.184% *  0.0678% (0.61  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD    PHE   45  10.92 +/- 2.61   2.012% *  0.0311% (0.28  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.87 +/- 1.22   0.389% *  0.0969% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   45  15.84 +/- 3.86   0.592% *  0.0588% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  20.13 +/- 0.88   0.236% *  0.1057% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.76, support = 1.19, residual support = 26.7:
          QG2   THR   94 - QD    PHE   45   3.60 +/- 0.55  59.926% * 75.4860% (0.80   1.22  28.22) =  91.302%  kept
          HG12  ILE   89 - QD    PHE   45   7.09 +/- 2.56  20.529% * 19.6923% (0.31   0.83  11.48) =   8.160%  kept
          HD2   LYS+ 112 - QD    PHE   45  12.45 +/- 3.56  12.908% *  1.5401% (1.00   0.02   0.02) =   0.401%  kept
          HB3   LYS+ 112 - QD    PHE   45  12.73 +/- 2.11   2.531% *  1.1770% (0.76   0.02   0.02) =   0.060%
          HB3   LEU   71 - QD    PHE   45  13.43 +/- 1.97   1.528% *  1.5265% (0.99   0.02   0.02) =   0.047%
          HG3   LYS+ 111 - QD    PHE   45  12.43 +/- 2.41   2.578% *  0.5780% (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 = 2.47, residual support = 17.4:
        T QG1   VAL   75 - QE    PHE   45   3.78 +/- 1.73  79.338% * 99.9191% (0.90 10.00   2.47  17.43) =  99.979%  kept
          QD1   LEU  115 - QE    PHE   45   9.81 +/- 1.83  20.662% *  0.0809% (0.73  1.00   0.02   0.02) =   0.021%
    Distance limit 5.01 A violated in 2 structures by 0.34 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.597, support = 0.723, residual support = 11.1:
          HB    ILE   89 - QE    PHE   45   7.37 +/- 3.23  28.795% * 94.4406% (0.61   0.75  11.48) =  96.298%  kept
          HB    VAL   43 - QE    PHE   45   3.52 +/- 1.95  61.598% *  1.5584% (0.38   0.02   0.02) =   3.399%  kept
          QG1   ILE   56 - QE    PHE   45  10.47 +/- 2.30   5.166% *  0.6407% (0.15   0.02   0.02) =   0.117%  kept
          QD    LYS+  81 - QE    PHE   45  11.06 +/- 2.30   2.580% *  1.2816% (0.31   0.02   0.02) =   0.117%  kept
          HB2   LYS+  99 - QE    PHE   45  13.82 +/- 1.90   0.988% *  1.1545% (0.28   0.02   0.02) =   0.040%
          HB3   LYS+  99 - QE    PHE   45  14.43 +/- 2.03   0.873% *  0.9244% (0.22   0.02   0.02) =   0.029%
    Distance limit 5.09 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 = 1.96, residual support = 7.57:
          HB3   MET   96 - QE    PHE   45   4.35 +/- 2.30  69.578% * 93.5527% (0.45   1.98   7.63) =  99.240%  kept
          HB3   ARG+  54 - QE    PHE   45  15.38 +/- 3.84  16.498% *  1.9486% (0.92   0.02   0.02) =   0.490%  kept
          HB2   LEU   40 - QE    PHE   45  13.23 +/- 1.61   4.015% *  1.7632% (0.84   0.02   0.02) =   0.108%  kept
          HB    VAL   18 - QE    PHE   45  16.02 +/- 6.65   4.272% *  1.4500% (0.69   0.02   0.02) =   0.094%
          HB2   LEU   67 - QE    PHE   45  13.29 +/- 2.13   4.575% *  0.8678% (0.41   0.02   0.02) =   0.061%
          HB3   GLU-  14 - QE    PHE   45  21.62 +/- 4.73   1.061% *  0.4177% (0.20   0.02   0.02) =   0.007%
    Distance limit 5.16 A violated in 1 structures by 0.21 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.267, support = 1.7, residual support = 7.07:
        T HB2   MET   96 - QE    PHE   45   4.55 +/- 1.78  49.714% * 74.8163% (0.22 10.00   1.78   7.63) =  92.146%  kept
          HB3   ASP-  76 - QE    PHE   45   9.00 +/- 2.17  11.845% * 15.9317% (0.73  1.00   1.16   0.69) =   4.675%  kept
          HG3   MET   92 - QE    PHE   45   8.46 +/- 2.41  19.982% *  5.6057% (0.97  1.00   0.31   0.18) =   2.775%  kept
          QG    GLN   90 - QE    PHE   45   9.72 +/- 1.78   6.505% *  1.8043% (0.22  1.00   0.43   0.02) =   0.291%  kept
        T HB3   PHE   72 - QE    PHE   45  10.49 +/- 1.08   3.870% *  0.6611% (0.18 10.00   0.02   0.02) =   0.063%
          HB2   ASP- 105 - QE    PHE   45  11.44 +/- 1.16   2.526% *  0.3485% (0.92  1.00   0.02   0.02) =   0.022%
          HG12  ILE  119 - QE    PHE   45  13.20 +/- 2.19   2.634% *  0.1986% (0.53  1.00   0.02   0.02) =   0.013%
          HB2   GLU-  29 - QE    PHE   45  17.56 +/- 3.60   1.056% *  0.3386% (0.90  1.00   0.02   0.02) =   0.009%
          HG2   GLU- 100 - QE    PHE   45  16.98 +/- 2.05   0.794% *  0.2442% (0.65  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   45  19.73 +/- 4.11   1.075% *  0.0511% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 79.7:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  97.869% * 99.8696% (0.53  10.0 10.00   1.00  79.67) =  99.997%  kept
          HZ3   TRP   27 - QE    PHE   45  10.77 +/- 3.80   2.131% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.003%
    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 = 3.6, residual support = 79.7:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.021% * 99.6976% (0.65  10.0   3.60  79.67) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  14.30 +/- 2.89   0.522% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  17.31 +/- 1.77   0.247% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  20.80 +/- 4.95   0.209% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 1.96, residual support = 7.6:
          HB3   MET   96 - QD    PHE   45   5.50 +/- 1.60  62.007% * 96.4445% (0.80   1.96   7.63) =  99.600%  kept
          HB3   ARG+  54 - QD    PHE   45  13.60 +/- 3.16  16.391% *  0.7443% (0.61   0.02   0.02) =   0.203%  kept
          HB2   LEU   40 - QD    PHE   45  13.75 +/- 1.04   5.281% *  1.2271% (1.00   0.02   0.02) =   0.108%  kept
          HB    VAL   18 - QD    PHE   45  15.87 +/- 6.82   6.819% *  0.4186% (0.34   0.02   0.02) =   0.048%
          HB2   LEU   67 - QD    PHE   45  12.74 +/- 1.93   7.449% *  0.1893% (0.15   0.02   0.02) =   0.023%
          HB3   GLU-  14 - QD    PHE   45  21.85 +/- 4.42   1.234% *  0.5973% (0.49   0.02   0.02) =   0.012%
          HG3   MET   11 - QD    PHE   45  26.58 +/- 5.22   0.819% *  0.3788% (0.31   0.02   0.02) =   0.005%
    Distance limit 5.37 A violated in 3 structures by 0.47 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.829, support = 1.85, residual support = 5.24:
          HB2   MET   96 - QD    PHE   45   5.72 +/- 1.03  40.610% * 45.6623% (0.87   2.00   7.63) =  66.313%  kept
          HB3   ASP-  76 - QD    PHE   45   8.53 +/- 2.31  15.533% * 43.1473% (0.92   1.78   0.69) =  23.968%  kept
          HG3   MET   92 - QD    PHE   45   7.19 +/- 1.80  27.890% *  9.5889% (0.34   1.07   0.18) =   9.564%  kept
          HB2   ASP- 105 - QD    PHE   45  11.73 +/- 1.00   4.331% *  0.3823% (0.73   0.02   0.02) =   0.059%
          HB    VAL   70 - QD    PHE   45  12.20 +/- 1.48   4.887% *  0.2360% (0.45   0.02   0.02) =   0.041%
          HG2   GLU- 100 - QD    PHE   45  18.08 +/- 1.50   1.221% *  0.5080% (0.97   0.02   0.02) =   0.022%
          QG    GLN   17 - QD    PHE   45  17.16 +/- 5.10   2.752% *  0.1976% (0.38   0.02   0.02) =   0.019%
          HB2   GLU-  25 - QD    PHE   45  18.82 +/- 3.83   1.374% *  0.1464% (0.28   0.02   0.02) =   0.007%
          HB2   GLU-  29 - QD    PHE   45  18.44 +/- 3.39   1.401% *  0.1313% (0.25   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.04, residual support = 79.7:
      O T HB3   PHE   45 - QD    PHE   45   2.45 +/- 0.17  91.134% * 99.5701% (0.80  10.0 10.00   5.04  79.67) =  99.992%  kept
          QE    LYS+ 112 - QD    PHE   45  11.06 +/- 2.95   3.262% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  86 - QD    PHE   45   9.94 +/- 2.38   1.907% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - QD    PHE   45   8.30 +/- 0.81   2.636% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - QD    PHE   45  13.74 +/- 2.12   0.816% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  19.60 +/- 3.90   0.244% *  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 = 4.33, residual support = 79.7:
      O T HB2   PHE   45 - QD    PHE   45   2.62 +/- 0.14  96.485% * 99.8423% (0.97  10.0 10.00   4.33  79.67) =  99.997%  kept
          QE    LYS+ 111 - QD    PHE   45  11.86 +/- 2.28   2.034% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - QD    PHE   45  13.33 +/- 4.26   1.481% *  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 = 0.685, support = 3.62, residual support = 28.1:
          HB    THR   94 - QD    PHE   45   3.07 +/- 0.55  77.262% * 91.5821% (0.69   3.63  28.22) =  99.671%  kept
          HA    ALA   88 - QD    PHE   45  10.16 +/- 2.16   3.880% *  3.6774% (0.15   0.65   0.45) =   0.201%  kept
          QB    SER   85 - QD    PHE   45  10.18 +/- 1.68   3.457% *  0.6953% (0.95   0.02   0.02) =   0.034%
          QB    SER   48 - QD    PHE   45   9.65 +/- 0.83   3.379% *  0.5886% (0.80   0.02   0.02) =   0.028%
          HA    LYS+  65 - QD    PHE   45  13.59 +/- 2.40   2.201% *  0.6592% (0.90   0.02   0.02) =   0.020%
          HD2   PRO   52 - QD    PHE   45  11.67 +/- 2.11   3.734% *  0.2269% (0.31   0.02   0.02) =   0.012%
          HA2   GLY   51 - QD    PHE   45  13.89 +/- 2.08   1.993% *  0.3867% (0.53   0.02   0.02) =   0.011%
          HA2   GLY   16 - QD    PHE   45  20.64 +/- 6.48   0.915% *  0.6953% (0.95   0.02   0.02) =   0.009%
          HA    ALA  120 - QD    PHE   45  17.35 +/- 1.87   0.524% *  0.7094% (0.97   0.02   0.02) =   0.005%
          QB    SER  117 - QD    PHE   45  12.96 +/- 1.16   1.492% *  0.2044% (0.28   0.02   0.02) =   0.004%
          HA    LYS+ 121 - QD    PHE   45  17.10 +/- 2.39   0.613% *  0.4458% (0.61   0.02   0.02) =   0.004%
          HA    GLN   32 - QD    PHE   45  19.03 +/- 3.36   0.550% *  0.1287% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.336, support = 4.17, residual support = 17.1:
          HA    ASP-  44 - QD    PHE   45   3.24 +/- 0.78  55.634% * 81.5312% (0.34   4.45  17.68) =  92.280%  kept
          HB    THR   77 - QD    PHE   45   5.02 +/- 2.53  28.801% * 12.8454% (0.28   0.86  10.46) =   7.526%  kept
          HA    TRP   87 - QD    PHE   45   9.84 +/- 2.85   6.011% *  0.6507% (0.15   0.08   0.02) =   0.080%
          HA    ASP-  86 - QD    PHE   45  11.21 +/- 2.17   2.262% *  1.0529% (0.98   0.02   0.02) =   0.048%
          HA    LEU  104 - QD    PHE   45  13.97 +/- 1.80   1.325% *  0.8972% (0.84   0.02   0.02) =   0.024%
          HA    SER   85 - QD    PHE   45  10.37 +/- 2.00   3.830% *  0.2986% (0.28   0.02   0.02) =   0.023%
          HA    ILE  103 - QD    PHE   45  12.31 +/- 1.35   1.484% *  0.2126% (0.20   0.02   0.02) =   0.006%
          HA    GLU-  14 - QD    PHE   45  22.14 +/- 4.12   0.288% *  1.0718% (1.00   0.02   0.02) =   0.006%
          HA    ALA   12 - QD    PHE   45  24.67 +/- 4.50   0.194% *  1.0366% (0.97   0.02   0.02) =   0.004%
          HA    MET   11 - QD    PHE   45  25.91 +/- 4.94   0.173% *  0.4031% (0.38   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.91, residual support = 76.6:
          HA    PHE   45 - QD    PHE   45   2.70 +/- 0.49  86.294% * 75.5766% (0.25   5.04  79.67) =  96.200%  kept
          HA    MET   92 - QD    PHE   45   6.62 +/- 1.38  11.472% * 22.2587% (0.25   1.49   0.18) =   3.767%  kept
          HA    VAL   41 - QD    PHE   45  10.54 +/- 0.83   1.709% *  0.9626% (0.80   0.02   0.02) =   0.024%
          HA    HIS  122 - QD    PHE   45  16.97 +/- 2.95   0.525% *  1.2021% (1.00   0.02   0.02) =   0.009%
    Distance limit 5.38 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 = 5.39, residual support = 70.7:
          HN    PHE   45 - QD    PHE   45   2.22 +/- 0.67  75.052% * 55.9960% (0.45   5.58  79.67) =  85.597%  kept
          HN    ASP-  44 - QD    PHE   45   4.31 +/- 0.68  16.204% * 43.4783% (0.45   4.33  17.68) =  14.349%  kept
          HN    ALA  110 - QD    PHE   45   9.00 +/- 1.81   8.214% *  0.3077% (0.69   0.02   0.02) =   0.051%
          HN    GLU-  25 - QD    PHE   45  16.82 +/- 4.05   0.530% *  0.2180% (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 = 79.7:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.605% * 99.7606% (0.98  10.0   1.00  79.67) =  99.998%  kept
          QD    PHE   72 - HZ    PHE   45  10.45 +/- 1.36   1.111% *  0.1766% (0.87   1.0   0.02   0.02) =   0.002%
          HD22  ASN   69 - HZ    PHE   45  19.51 +/- 2.80   0.284% *  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 = 0.622, support = 4.39, residual support = 52.8:
          HN    TRP   49 - HD1   TRP   49   2.51 +/- 0.79  73.513% * 33.8883% (0.38   4.90  85.66) =  59.139%  kept
          HN    CYS   50 - HD1   TRP   49   4.14 +/- 1.07  26.123% * 65.8880% (0.98   3.65   5.13) =  40.859%  kept
          HN    VAL   83 - HD1   TRP   49  16.25 +/- 2.74   0.363% *  0.2237% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.31, residual support = 85.7:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.31  85.66) = 100.000%  kept
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 85.7:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.129% * 99.8040% (0.41  10.0   1.00  85.66) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  16.49 +/- 3.35   0.641% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.56 +/- 5.70   0.230% *  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 = 85.7:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.66) = 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 = 85.7:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.783% * 99.8708% (1.00  10.0   1.00  85.66) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  21.97 +/- 3.15   0.217% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    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 = 0.907, support = 1.45, residual support = 7.09:
          QD1   ILE   89 - HZ    PHE   45   6.47 +/- 3.39  42.476% * 54.0157% (0.84   1.68  11.48) =  53.907%  kept
          QG2   VAL   83 - HZ    PHE   45   6.39 +/- 3.56  43.045% * 45.3682% (0.99   1.19   1.97) =  45.883%  kept
          QD2   LEU   31 - HZ    PHE   45  12.46 +/- 4.05  14.479% *  0.6161% (0.80   0.02   0.02) =   0.210%  kept
    Distance limit 5.22 A violated in 3 structures by 0.59 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.74, residual support = 85.7:
      O T HB2   TRP   49 - HD1   TRP   49   3.88 +/- 0.07  84.736% * 99.5547% (0.65  10.0 10.00   4.74  85.66) =  99.988%  kept
          HA    VAL   75 - HD1   TRP   49  14.43 +/- 4.55   4.610% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   84 - HD1   TRP   49  13.65 +/- 3.21   3.242% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - HD1   TRP   49  16.04 +/- 4.06   4.028% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.39 +/- 3.11   2.190% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  21.52 +/- 3.38   0.708% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  22.64 +/- 2.31   0.485% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.75, residual support = 85.7:
      O T HB3   TRP   49 - HD1   TRP   49   2.92 +/- 0.19  99.012% * 99.9191% (0.90  10.0 10.00   4.75  85.66) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  16.54 +/- 3.15   0.988% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.87, residual support = 16.0:
          QB    ALA   47 - HD1   TRP   49   3.22 +/- 1.06  76.388% * 99.0521% (0.84   3.88  15.99) =  99.909%  kept
          QB    ALA   64 - HD1   TRP   49  12.89 +/- 4.51  18.757% *  0.2742% (0.45   0.02   0.02) =   0.068%
          QG1   VAL   42 - HD1   TRP   49  14.57 +/- 2.46   3.127% *  0.4441% (0.73   0.02   0.02) =   0.018%
          HG2   LYS+ 112 - HD1   TRP   49  16.43 +/- 3.89   1.727% *  0.2295% (0.38   0.02   0.02) =   0.005%
    Distance limit 5.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.856, support = 0.718, residual support = 2.89:
          HB3   PRO   52 - HZ2   TRP   49   8.46 +/- 4.24  29.194% * 69.1350% (0.87  1.00   0.75   3.03) =  95.557%  kept
        T HG    LEU  123 - HZ2   TRP   49  23.13 +/- 4.51   1.046% * 18.4360% (0.87 10.00   0.02   0.02) =   0.913%  kept
          HG3   PRO   68 - HZ2   TRP   49  20.34 +/- 7.90  10.351% *  1.6243% (0.76  1.00   0.02   0.02) =   0.796%  kept
          HB    ILE  103 - HZ2   TRP   49  22.03 +/- 5.00   8.778% *  1.5433% (0.73  1.00   0.02   0.02) =   0.641%  kept
          HB3   GLN   90 - HZ2   TRP   49  13.06 +/- 6.45  13.586% *  0.9529% (0.45  1.00   0.02   0.02) =   0.613%  kept
          QB    LYS+  66 - HZ2   TRP   49  16.32 +/- 6.66  19.320% *  0.5909% (0.28  1.00   0.02   0.02) =   0.541%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.30 +/- 1.34   5.625% *  1.4599% (0.69  1.00   0.02   0.02) =   0.389%  kept
          QB    LYS+ 106 - HZ2   TRP   49  15.81 +/- 3.90   4.159% *  0.7250% (0.34  1.00   0.02   0.02) =   0.143%  kept
          HG12  ILE  103 - HZ2   TRP   49  21.34 +/- 4.45   2.180% *  1.2891% (0.61  1.00   0.02   0.02) =   0.133%  kept
          QB    LYS+  81 - HZ2   TRP   49  15.39 +/- 3.36   2.328% *  0.7977% (0.38  1.00   0.02   0.02) =   0.088%
          HB3   ASP- 105 - HZ2   TRP   49  20.43 +/- 4.01   1.148% *  1.3749% (0.65  1.00   0.02   0.02) =   0.075%
          QB    LYS+  33 - HZ2   TRP   49  24.80 +/- 5.52   1.125% *  1.1182% (0.53  1.00   0.02   0.02) =   0.060%
          HB    VAL   41 - HZ2   TRP   49  20.29 +/- 3.97   1.160% *  0.9529% (0.45  1.00   0.02   0.02) =   0.052%
    Distance limit 5.01 A violated in 1 structures by 0.53 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.0, residual support = 15.9:
          QB    ALA   47 - HZ2   TRP   49   4.86 +/- 2.08  60.551% * 97.9872% (0.69   2.02  15.99) =  99.452%  kept
          QB    ALA   64 - HZ2   TRP   49  12.03 +/- 5.38  34.882% *  0.8585% (0.61   0.02   0.02) =   0.502%  kept
          QG1   VAL   42 - HZ2   TRP   49  13.48 +/- 2.94   2.478% *  0.8014% (0.57   0.02   0.02) =   0.033%
          HG2   LYS+ 112 - HZ2   TRP   49  14.46 +/- 3.50   2.089% *  0.3529% (0.25   0.02   0.02) =   0.012%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.36, support = 0.707, residual support = 2.85:
          HG2   PRO   52 - HH2   TRP   49   7.10 +/- 5.02  37.221% * 73.0242% (0.34   0.75   3.03) =  94.178%  kept
          HG2   MET   92 - HH2   TRP   49  12.98 +/- 5.34  10.076% *  4.9520% (0.87   0.02   0.02) =   1.729%  kept
          HB2   GLU-  79 - HH2   TRP   49  17.45 +/- 3.49   6.947% *  4.1454% (0.73   0.02   0.02) =   0.998%  kept
          QG    GLU- 114 - HH2   TRP   49  15.38 +/- 3.47   5.742% *  4.5712% (0.80   0.02   0.02) =   0.910%  kept
          HB2   ASP-  44 - HH2   TRP   49  13.99 +/- 2.44  19.626% *  0.9998% (0.18   0.02   0.02) =   0.680%  kept
          QB    MET   11 - HH2   TRP   49  29.76 +/- 7.88   3.949% *  3.9214% (0.69   0.02   0.02) =   0.537%  kept
          QG    GLU-  15 - HH2   TRP   49  26.70 +/- 6.35   7.733% *  1.4235% (0.25   0.02   0.02) =   0.381%  kept
          HG3   GLU-  36 - HH2   TRP   49  31.84 +/- 6.15   2.081% *  4.9520% (0.87   0.02   0.02) =   0.357%  kept
          HG3   GLU-  25 - HH2   TRP   49  28.57 +/- 6.29   3.341% *  1.1298% (0.20   0.02   0.02) =   0.131%  kept
          QG    GLU-  14 - HH2   TRP   49  27.59 +/- 5.66   3.283% *  0.8808% (0.15   0.02   0.02) =   0.100%  kept
    Distance limit 5.33 A violated in 7 structures by 1.62 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.859, support = 1.91, residual support = 2.87:
          HB3   PRO   52 - HH2   TRP   49   7.76 +/- 5.10  37.364% * 81.5369% (0.87   2.00   3.03) =  94.833%  kept
          HG3   PRO   68 - HH2   TRP   49  20.24 +/- 8.50  11.194% * 12.8691% (0.76   0.36   0.02) =   4.484%  kept
          HB    ILE  103 - HH2   TRP   49  23.18 +/- 5.46  10.525% *  0.6826% (0.73   0.02   0.02) =   0.224%  kept
          QB    LYS+  66 - HH2   TRP   49  16.02 +/- 7.29  23.391% *  0.2614% (0.28   0.02   0.02) =   0.190%  kept
          HB3   GLN   90 - HH2   TRP   49  14.61 +/- 6.50   7.836% *  0.4214% (0.45   0.02   0.02) =   0.103%  kept
          HG2   ARG+  54 - HH2   TRP   49  10.48 +/- 1.80   3.695% *  0.6457% (0.69   0.02   0.02) =   0.074%
          HG12  ILE  103 - HH2   TRP   49  22.51 +/- 4.92   1.407% *  0.5701% (0.61   0.02   0.02) =   0.025%
          HG    LEU  123 - HH2   TRP   49  22.74 +/- 4.49   0.756% *  0.8154% (0.87   0.02   0.02) =   0.019%
          QB    LYS+ 106 - HH2   TRP   49  16.77 +/- 4.22   1.286% *  0.3206% (0.34   0.02   0.02) =   0.013%
          QB    LYS+  81 - HH2   TRP   49  16.59 +/- 3.59   1.054% *  0.3528% (0.38   0.02   0.02) =   0.012%
          HB3   ASP- 105 - HH2   TRP   49  21.10 +/- 4.39   0.484% *  0.6081% (0.65   0.02   0.02) =   0.009%
          QB    LYS+  33 - HH2   TRP   49  25.54 +/- 5.74   0.524% *  0.4945% (0.53   0.02   0.02) =   0.008%
          HB    VAL   41 - HH2   TRP   49  21.39 +/- 4.14   0.483% *  0.4214% (0.45   0.02   0.02) =   0.006%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.255, support = 2.38, residual support = 20.4:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.02  89.052% * 72.3023% (0.25  10.0   2.37  20.70) =  98.478%  kept
          HD2   ARG+  54 - QD    PHE   55   6.82 +/- 0.93   3.561% * 25.3973% (0.61   1.0   2.89   4.05) =   1.383%  kept
          HB3   CYS   53 - QD    PHE   55   7.19 +/- 1.16   4.161% *  2.1120% (0.53   1.0   0.28   0.02) =   0.134%  kept
          HD3   PRO   93 - QD    PHE   55   9.02 +/- 3.02   3.025% *  0.0989% (0.34   1.0   0.02   0.02) =   0.005%
          HD3   PRO   68 - QD    PHE   55  17.37 +/- 2.28   0.202% *  0.0895% (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 = 0.852, support = 2.01, residual support = 18.5:
          HA    PHE   55 - QD    PHE   55   3.14 +/- 0.36  76.303% * 60.0576% (0.84   2.12  20.70) =  89.185%  kept
          HA    ALA  110 - QD    PHE   55   7.77 +/- 2.81  14.286% * 38.7335% (1.00   1.14   0.61) =  10.769%  kept
          HA    VAL  107 - QD    PHE   55  12.32 +/- 2.61   6.276% *  0.2319% (0.34   0.02   0.02) =   0.028%
          HA    GLN   90 - QD    PHE   55  15.40 +/- 2.54   0.855% *  0.6561% (0.97   0.02   0.02) =   0.011%
          HA    ALA   91 - QD    PHE   55  13.31 +/- 2.40   1.705% *  0.1514% (0.22   0.02   0.02) =   0.005%
          HA    VAL   42 - QD    PHE   55  16.77 +/- 1.22   0.574% *  0.1695% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.84 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 = 0.708, support = 0.994, residual support = 0.916:
          QB    ALA  110 - QD    PHE   55   6.41 +/- 2.67  33.475% * 34.3099% (0.80  1.00   0.82   0.61) =  55.556%  kept
          HB3   LEU  115 - QD    PHE   55   8.37 +/- 1.81  15.897% * 31.7318% (0.31  1.00   1.97   2.36) =  24.400%  kept
          QB    ALA   61 - QD    PHE   55   8.41 +/- 1.77  22.063% * 16.4850% (0.97  1.00   0.33   0.02) =  17.593%  kept
        T QG    LYS+  66 - QD    PHE   55  14.49 +/- 1.66   3.038% *  9.8826% (0.95 10.00   0.02   0.02) =   1.453%  kept
        T HG    LEU   67 - QD    PHE   55  17.74 +/- 2.66   3.071% *  2.3259% (0.22 10.00   0.02   0.02) =   0.345%  kept
          HG    LEU   73 - QD    PHE   55  17.50 +/- 4.81   6.799% *  0.8365% (0.80  1.00   0.02   0.02) =   0.275%  kept
          HB3   LEU   67 - QD    PHE   55  16.87 +/- 2.06   2.348% *  1.0447% (1.00  1.00   0.02   0.02) =   0.119%  kept
          HG    LEU   80 - QD    PHE   55  19.58 +/- 3.04   1.497% *  0.8726% (0.84  1.00   0.02   0.02) =   0.063%
          HG12  ILE   19 - QD    PHE   55  22.16 +/- 3.48   1.510% *  0.7586% (0.73  1.00   0.02   0.02) =   0.055%
          HD3   LYS+ 121 - QD    PHE   55  17.28 +/- 2.33   3.534% *  0.2067% (0.20  1.00   0.02   0.02) =   0.035%
          HG2   LYS+ 102 - QD    PHE   55  25.92 +/- 3.07   0.983% *  0.7176% (0.69  1.00   0.02   0.02) =   0.034%
          HB2   LEU   80 - QD    PHE   55  18.81 +/- 2.93   1.680% *  0.3225% (0.31  1.00   0.02   0.02) =   0.026%
          HB3   LYS+  74 - QD    PHE   55  16.61 +/- 2.51   2.814% *  0.1830% (0.18  1.00   0.02   0.02) =   0.025%
          HG    LEU   40 - QD    PHE   55  19.92 +/- 1.57   1.291% *  0.3225% (0.31  1.00   0.02   0.02) =   0.020%
    Distance limit 4.73 A violated in 6 structures by 0.83 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.3, residual support = 2.28:
          QD2   LEU  115 - QD    PHE   55   7.05 +/- 2.42  40.045% * 83.3360% (0.87  1.00   1.35   2.36) =  96.668%  kept
        T QD2   LEU   80 - QD    PHE   55  16.56 +/- 2.27   4.406% * 11.9181% (0.84 10.00   0.02   0.02) =   1.521%  kept
          QD1   LEU   73 - QD    PHE   55  14.90 +/- 4.39  17.770% *  1.4237% (1.00  1.00   0.02   0.02) =   0.733%  kept
          QD1   LEU   63 - QD    PHE   55  10.71 +/- 2.19  16.869% *  1.4237% (1.00  1.00   0.02   0.02) =   0.696%  kept
          QD2   LEU   63 - QD    PHE   55  11.85 +/- 1.86  10.782% *  0.7507% (0.53  1.00   0.02   0.02) =   0.234%  kept
          QD1   LEU  104 - QD    PHE   55  17.56 +/- 2.27   3.854% *  0.8654% (0.61  1.00   0.02   0.02) =   0.097%
          QG1   VAL   83 - QD    PHE   55  15.92 +/- 3.19   6.274% *  0.2824% (0.20  1.00   0.02   0.02) =   0.051%
    Distance limit 4.93 A violated in 7 structures by 1.29 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.967, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.12 +/- 2.29  90.321% * 72.5341% (0.99   0.02   0.02) =  96.100%  kept
          HB3   TRP   49 - QE    PHE   95  14.26 +/- 1.42   9.679% * 27.4659% (0.38   0.02   0.02) =   3.900%  kept
    Distance limit 4.87 A violated in 7 structures by 1.12 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 = 0.646, support = 1.4, residual support = 7.41:
        T QE    LYS+ 112 - QE    PHE   95   5.53 +/- 2.44  34.409% * 82.0757% (0.69 10.00   1.28   4.03) =  88.420%  kept
          HB    VAL  107 - QE    PHE   95   4.46 +/- 0.71  39.122% *  7.4105% (0.28  1.00   2.86  41.84) =   9.077%  kept
        T HB3   ASP-  62 - QE    PHE   95   9.01 +/- 2.07   8.771% *  5.9101% (0.57 10.00   0.11   0.02) =   1.623%  kept
          HB3   PHE   45 - QE    PHE   95   7.23 +/- 1.10  12.581% *  1.3989% (0.69  1.00   0.22   1.89) =   0.551%  kept
          HG3   MET   96 - QE    PHE   95   9.81 +/- 0.33   3.596% *  2.8420% (0.20  1.00   1.54  11.94) =   0.320%  kept
          HB3   ASP-  86 - QE    PHE   95  16.29 +/- 2.17   1.032% *  0.1766% (0.95  1.00   0.02   0.02) =   0.006%
          HG2   GLU-  29 - QE    PHE   95  20.86 +/- 2.62   0.489% *  0.1862% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 5.46 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 = 0.712, support = 0.472, residual support = 0.298:
          QG1   ILE   56 - QE    PHE   95   4.09 +/- 1.62  39.054% * 16.1484% (0.53   0.46   0.37) =  41.180%  kept
          HB2   LEU   73 - QE    PHE   95  10.29 +/- 4.35  19.003% * 24.1801% (0.92   0.39   0.41) =  30.004%  kept
          HD2   LYS+ 111 - QE    PHE   95   8.49 +/- 1.47  10.027% * 31.1959% (0.69   0.68   0.11) =  20.426%  kept
          QD    LYS+ 106 - QE    PHE   95   9.52 +/- 1.46   4.545% * 24.1765% (1.00   0.36   0.02) =   7.175%  kept
          HG3   PRO   93 - QE    PHE   95   6.03 +/- 1.48  16.406% *  0.5009% (0.38   0.02   0.02) =   0.537%  kept
          HB3   MET   92 - QE    PHE   95   8.01 +/- 1.39   6.688% *  1.0688% (0.80   0.02   0.02) =   0.467%  kept
          QD    LYS+  99 - QE    PHE   95  14.44 +/- 1.20   1.355% *  1.3348% (1.00   0.02   0.02) =   0.118%  kept
          HB2   LEU  123 - QE    PHE   95  13.44 +/- 1.55   1.287% *  0.5487% (0.41   0.02   0.02) =   0.046%
          HB3   LYS+  99 - QE    PHE   95  15.45 +/- 0.66   0.911% *  0.5487% (0.41   0.02   0.02) =   0.033%
          QD    LYS+ 102 - QE    PHE   95  16.49 +/- 1.08   0.724% *  0.2972% (0.22   0.02   0.02) =   0.014%
    Distance limit 5.29 A violated in 0 structures by 0.01 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 = 0.632, support = 2.36, residual support = 36.2:
          QG2   VAL  107 - QE    PHE   95   3.27 +/- 0.79  60.512% * 51.6774% (0.69  1.00   2.48  41.84) =  82.685%  kept
          QG2   THR   94 - QE    PHE   95   5.57 +/- 0.47  16.949% * 19.1503% (0.34  1.00   1.85  14.87) =   8.582%  kept
          HB3   LYS+ 112 - QE    PHE   95   6.34 +/- 1.22  15.400% * 20.3672% (0.38  1.00   1.79   4.03) =   8.293%  kept
          HG13  ILE  103 - QE    PHE   95  12.78 +/- 1.41   1.672% *  7.5981% (1.00  1.00   0.25   0.02) =   0.336%  kept
        T QB    ALA   20 - QE    PHE   95  13.46 +/- 2.90   3.678% *  0.9353% (0.15 10.00   0.02   0.02) =   0.091%
          HG2   LYS+ 121 - QE    PHE   95  12.00 +/- 1.84   1.790% *  0.2718% (0.45  1.00   0.02   0.02) =   0.013%
    Distance limit 5.34 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 = 0.905, support = 2.55, residual support = 5.4:
          QD2   LEU  115 - QE    PHE   95   3.75 +/- 0.80  37.243% * 48.1903% (0.87  1.00   3.34   7.60) =  62.730%  kept
          QD1   LEU   63 - QE    PHE   95   6.15 +/- 3.29  29.888% * 20.2164% (1.00  1.00   1.22   2.47) =  21.119%  kept
          QD1   LEU   73 - QE    PHE   95   9.44 +/- 3.51  17.725% * 22.1575% (1.00  1.00   1.33   0.41) =  13.727%  kept
          QD2   LEU   63 - QE    PHE   95   7.45 +/- 2.75  10.115% *  6.3857% (0.53  1.00   0.73   2.47) =   2.258%  kept
        T QD2   LEU   80 - QE    PHE   95  13.04 +/- 2.34   1.562% *  2.7821% (0.84 10.00   0.02   0.02) =   0.152%  kept
          QD1   LEU  104 - QE    PHE   95  11.72 +/- 1.08   1.585% *  0.2020% (0.61  1.00   0.02   0.02) =   0.011%
          QG1   VAL   83 - QE    PHE   95  12.22 +/- 2.41   1.883% *  0.0659% (0.20  1.00   0.02   0.02) =   0.004%
    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 = 0.348, support = 1.48, residual support = 7.4:
        T QD1   LEU  115 - QE    PHE   95   2.85 +/- 0.84  67.942% * 91.3130% (0.34 10.00   1.50   7.60) =  97.049%  kept
          QB    ALA   64 - QE    PHE   95   6.76 +/- 1.76  21.810% *  8.6164% (0.57  1.00   0.85   1.13) =   2.940%  kept
          QG1   VAL   75 - QE    PHE   95   6.95 +/- 1.77  10.248% *  0.0706% (0.20  1.00   0.02   0.02) =   0.011%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.833, support = 1.1, residual support = 72.0:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  90.635% * 95.5685% (0.84  10.0   1.10  72.27) =  99.594%  kept
          HN    LEU   63 - QD    PHE   60   5.02 +/- 0.42   8.599% *  4.0927% (0.15   1.0   2.54  10.14) =   0.405%  kept
          HD21  ASN   28 - QD    PHE   60  15.85 +/- 3.43   0.444% *  0.1516% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   60  15.79 +/- 2.38   0.323% *  0.1872% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.23 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 = 3.72, residual support = 72.3:
      O T HB3   PHE   60 - QD    PHE   60   2.45 +/- 0.16  91.898% * 99.7227% (0.73  10.0 10.00   3.72  72.27) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   60  12.82 +/- 2.42   1.426% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - QD    PHE   60   8.69 +/- 1.62   3.064% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    PHE   60  11.12 +/- 2.43   1.864% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.95 +/- 3.04   0.542% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.64 +/- 2.41   0.209% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  13.03 +/- 3.08   0.997% *  0.0186% (0.14   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 = 0.882, support = 2.0, residual support = 3.38:
          QD2   LEU   73 - QD    PHE   60   6.98 +/- 2.90  30.861% * 52.3352% (0.84  1.00   2.76   2.78) =  49.292%  kept
          QD1   ILE   56 - QD    PHE   60   4.79 +/- 2.09  51.006% * 30.0677% (0.99  1.00   1.34   4.30) =  46.806%  kept
        T QG1   VAL   41 - QD    PHE   60  11.30 +/- 1.52   7.335% * 16.9737% (0.18 10.00   0.43   0.02) =   3.800%  kept
          HG3   LYS+ 121 - QD    PHE   60  13.01 +/- 2.42   7.497% *  0.3117% (0.69  1.00   0.02   0.02) =   0.071%
          HG    LEU   31 - QD    PHE   60  14.57 +/- 2.32   3.301% *  0.3117% (0.69  1.00   0.02   0.02) =   0.031%
    Distance limit 4.44 A violated in 6 structures by 0.63 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.82, residual support = 2.68:
          QB    ALA   64 - QD    PHE   60   3.80 +/- 1.62 100.000% *100.0000% (0.95   1.82   2.68) = 100.000%  kept
    Distance limit 4.37 A violated in 3 structures by 0.47 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 62.2:
          HN    PHE   97 - QD    PHE   97   3.00 +/- 0.85  92.737% * 99.3230% (0.97   4.07  62.25) =  99.971%  kept
          HN    LEU  115 - QD    PHE   97   9.57 +/- 1.07   5.005% *  0.4883% (0.97   0.02   0.02) =   0.027%
          HN    ASP- 113 - QD    PHE   97  12.75 +/- 1.01   1.848% *  0.1001% (0.20   0.02   0.02) =   0.002%
          HN    ALA   12 - QD    PHE   97  22.84 +/- 3.28   0.409% *  0.0886% (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 = 0.681, support = 1.32, residual support = 1.66:
          HA    THR  118 - QD    PHE   97   6.58 +/- 3.45  37.623% * 37.6839% (0.61   1.18   2.07) =  51.501%  kept
          HA    ILE  119 - QD    PHE   97   8.31 +/- 3.59  21.981% * 59.9125% (0.76   1.49   1.24) =  47.839%  kept
          HA    VAL   75 - QD    PHE   97  12.46 +/- 1.55  10.275% *  0.5531% (0.53   0.02   0.02) =   0.206%  kept
          HB2   TRP   49 - QD    PHE   97  19.78 +/- 3.19   5.634% *  0.7221% (0.69   0.02   0.02) =   0.148%  kept
          HA2   GLY  109 - QD    PHE   97  12.48 +/- 0.72  11.772% *  0.3245% (0.31   0.02   0.02) =   0.139%  kept
          HD3   PRO   58 - QD    PHE   97  13.52 +/- 2.33   8.782% *  0.2923% (0.28   0.02   0.02) =   0.093%
          HA    ALA   84 - QD    PHE   97  17.29 +/- 2.34   3.933% *  0.5117% (0.49   0.02   0.02) =   0.073%
    Distance limit 4.75 A violated in 5 structures by 1.26 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.898, support = 2.43, residual support = 61.3:
      O T HB2   PHE   97 - QD    PHE   97   2.52 +/- 0.18  70.036% * 89.8603% (0.90  10.0 10.00   2.44  62.25) =  98.116%  kept
          QE    LYS+ 106 - QD    PHE   97   6.29 +/- 1.37  12.029% *  9.9527% (0.95   1.0  1.00   2.10  10.99) =   1.866%  kept
          HB3   TRP   27 - QD    PHE   97  12.46 +/- 3.73   9.737% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.013%
          HB3   PHE   60 - QD    PHE   97  10.09 +/- 2.01   2.093% *  0.0802% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  99 - QD    PHE   97   6.93 +/- 1.30   6.105% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.002%
    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 = 62.2:
      O T HB3   PHE   97 - QD    PHE   97   2.41 +/- 0.15  96.745% * 99.7112% (1.00  10.0 10.00   2.74  62.25) =  99.997%  kept
          HB2   GLN  116 - QD    PHE   97  11.45 +/- 1.54   1.042% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - QD    PHE   97  11.10 +/- 1.18   1.106% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - QD    PHE   97  14.27 +/- 2.80   0.746% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  16.52 +/- 1.96   0.360% *  0.0308% (0.31   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.778, support = 1.77, residual support = 4.95:
          QG1   VAL  107 - QD    PHE   97   4.02 +/- 0.96  65.807% * 62.1994% (0.84   1.74   5.54) =  86.342%  kept
          HG13  ILE  119 - QD    PHE   97   9.32 +/- 2.96  17.787% * 35.7185% (0.41   2.03   1.24) =  13.402%  kept
          QG1   VAL   24 - QD    PHE   97  14.15 +/- 3.48  10.247% *  0.8573% (1.00   0.02   0.02) =   0.185%  kept
          HD3   LYS+ 112 - QD    PHE   97  13.64 +/- 2.15   2.198% *  0.8404% (0.98   0.02   0.02) =   0.039%
          HB3   LEU   31 - QD    PHE   97  11.67 +/- 2.93   3.962% *  0.3844% (0.45   0.02   0.02) =   0.032%
    Distance limit 4.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.718, support = 2.95, residual support = 12.7:
          HB2   LEU  104 - QD    PHE   97   4.14 +/- 1.24  61.310% * 55.5981% (0.69   3.30  15.22) =  82.087%  kept
          QD1   ILE  119 - QD    PHE   97   8.66 +/- 2.28  16.892% * 35.0854% (0.95   1.51   1.24) =  14.272%  kept
          QG2   VAL  108 - QD    PHE   97   7.55 +/- 0.75  16.595% *  9.0188% (0.53   0.70   0.02) =   3.604%  kept
          HB    VAL   75 - QD    PHE   97  10.58 +/- 1.67   5.203% *  0.2977% (0.61   0.02   0.02) =   0.037%
    Distance limit 4.64 A violated in 0 structures by 0.13 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.54, residual support = 2.05:
          QG2   THR  118 - QD    PHE   97   4.53 +/- 2.74  65.270% * 97.8359% (0.20   1.56   2.07) =  98.837%  kept
          QG2   VAL   70 - QD    PHE   97   6.31 +/- 1.63  34.730% *  2.1641% (0.34   0.02   0.02) =   1.163%  kept
    Distance limit 4.80 A violated in 1 structures by 0.34 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.952, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.97 +/- 1.48  73.940% * 85.0969% (1.00   0.02   0.02) =  94.186%  kept
          QB    ALA   47 - QD    PHE   97  13.56 +/- 2.13  26.060% * 14.9031% (0.18   0.02   0.02) =   5.814%  kept
    Distance limit 5.17 A violated in 19 structures by 3.61 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 2.89, residual support = 28.0:
          HN    LEU  115 - QD    PHE   59   5.08 +/- 0.88  63.007% * 99.0500% (0.97   2.89  28.10) =  99.829%  kept
          HN    PHE   97 - QD    PHE   59  10.64 +/- 2.05  10.225% *  0.6852% (0.97   0.02   0.02) =   0.112%  kept
          HN    ASP- 113 - QD    PHE   59   7.46 +/- 1.12  23.123% *  0.1405% (0.20   0.02   0.02) =   0.052%
          HN    ALA   12 - QD    PHE   59  22.62 +/- 4.97   3.644% *  0.1243% (0.18   0.02   0.02) =   0.007%
    Distance limit 5.39 A violated in 1 structures by 0.27 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 2.88, residual support = 55.9:
          HA    PHE   59 - QD    PHE   59   2.69 +/- 0.56  69.157% * 77.9509% (0.61   3.01  58.13) =  94.236%  kept
          HA    ILE   56 - QD    PHE   59   5.76 +/- 1.04  16.409% * 19.4146% (0.61   0.75  20.17) =   5.569%  kept
          HA    ASP- 113 - QD    PHE   59   7.19 +/- 1.44  11.528% *  0.8517% (1.00   0.02   0.02) =   0.172%  kept
          HA    LEU  123 - QD    PHE   59   9.86 +/- 0.87   1.704% *  0.4155% (0.49   0.02   0.02) =   0.012%
          HA    LYS+  99 - QD    PHE   59  15.32 +/- 2.05   0.531% *  0.6835% (0.80   0.02   0.02) =   0.006%
          HA    ASN   35 - QD    PHE   59  18.96 +/- 3.03   0.362% *  0.5522% (0.65   0.02   0.02) =   0.003%
          HA    TRP   87 - QD    PHE   59  19.41 +/- 2.49   0.309% *  0.1317% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.987, support = 2.37, residual support = 21.6:
        T HA    ILE  119 - QD    PHE   59   4.03 +/- 0.59  69.738% * 51.2610% (1.00 10.00   2.35  24.05) =  79.366%  kept
        T HA    THR  118 - QD    PHE   59   6.65 +/- 0.62  19.116% * 48.5987% (0.95 10.00   2.43  12.35) =  20.626%  kept
          HA2   GLY  109 - QD    PHE   59  11.20 +/- 2.00   5.075% *  0.0353% (0.69  1.00   0.02   0.02) =   0.004%
          HB2   TRP   49 - QD    PHE   59  16.02 +/- 2.03   2.037% *  0.0504% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD    PHE   59  17.32 +/- 2.51   1.223% *  0.0446% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  12.33 +/- 1.17   2.811% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.71, residual support = 58.1:
      O   HB2   PHE   59 - QD    PHE   59   2.58 +/- 0.19  89.649% * 99.6982% (0.97  10.0   2.71  58.13) =  99.992%  kept
          QB    PHE   55 - QD    PHE   59   8.25 +/- 1.04   3.412% *  0.0789% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - QD    PHE   59  10.09 +/- 2.22   2.522% *  0.0710% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - QD    PHE   59  10.91 +/- 1.81   1.566% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - QD    PHE   59   9.88 +/- 1.19   1.858% *  0.0463% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  12.27 +/- 1.50   0.992% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    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 = 58.1:
      O   HB3   PHE   59 - QD    PHE   59   2.44 +/- 0.16  99.602% * 99.9680% (0.97  10.0   3.14  58.13) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.61 +/- 2.15   0.398% *  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 = 0.87, support = 2.6, residual support = 26.0:
          HB2   PRO   58 - QD    PHE   59   6.07 +/- 1.18  36.291% * 69.3878% (0.99   2.96  39.78) =  64.878%  kept
          HB2   GLN  116 - QD    PHE   59   5.47 +/- 1.37  45.407% * 29.8796% (0.65   1.95   0.50) =  34.955%  kept
          HB3   PHE   97 - QD    PHE   59  10.19 +/- 2.64  16.283% *  0.3786% (0.80   0.02   0.02) =   0.159%  kept
          HB2   GLU- 100 - QD    PHE   59  19.45 +/- 2.12   0.904% *  0.2488% (0.53   0.02   0.02) =   0.006%
          HG3   GLU-  25 - QD    PHE   59  22.34 +/- 4.30   1.114% *  0.1053% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 1.97, residual support = 20.1:
        T QG1   ILE   56 - QD    PHE   59   3.37 +/- 0.79  72.723% * 99.3186% (0.97 10.00   1.97  20.17) =  99.893%  kept
          QD    LYS+ 106 - QD    PHE   59  11.75 +/- 3.01  16.926% *  0.4334% (0.34  1.00   0.24   0.02) =   0.101%  kept
          HB3   LYS+  99 - QD    PHE   59  15.29 +/- 2.30   1.495% *  0.1043% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - QD    PHE   59  11.92 +/- 3.26   6.036% *  0.0207% (0.20  1.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QD    PHE   59  16.36 +/- 2.23   0.936% *  0.0837% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  13.92 +/- 2.11   1.884% *  0.0392% (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 = 0.534, support = 2.41, residual support = 26.9:
          HB3   LEU  115 - QD    PHE   59   3.27 +/- 1.58  33.524% * 61.3878% (0.65   2.34  28.10) =  74.343%  kept
          HG    LEU  115 - QD    PHE   59   3.22 +/- 0.92  31.621% * 18.8174% (0.15   3.01  28.10) =  21.494%  kept
          QB    ALA   61 - QD    PHE   59   5.86 +/- 0.75   8.909% *  6.5341% (0.69   0.23   0.89) =   2.103%  kept
          QB    ALA  120 - QD    PHE   59   6.91 +/- 0.69   5.221% *  8.1964% (0.15   1.31   0.02) =   1.546%  kept
          HG    LEU   73 - QD    PHE   59  11.67 +/- 4.34  11.929% *  0.8089% (1.00   0.02   0.02) =   0.349%  kept
          QG    LYS+  66 - QD    PHE   59   8.70 +/- 2.10   1.722% *  0.7824% (0.97   0.02   0.02) =   0.049%
          HB3   LEU   67 - QD    PHE   59   9.75 +/- 2.07   1.216% *  0.6772% (0.84   0.02   0.02) =   0.030%
          QB    ALA  110 - QD    PHE   59   7.82 +/- 1.51   2.158% *  0.3635% (0.45   0.02   0.02) =   0.028%
          HG    LEU   67 - QD    PHE   59  10.54 +/- 1.92   1.777% *  0.4265% (0.53   0.02   0.02) =   0.027%
          HG    LEU   40 - QD    PHE   59  11.59 +/- 2.18   0.914% *  0.5245% (0.65   0.02   0.02) =   0.017%
          HG12  ILE   19 - QD    PHE   59  15.32 +/- 3.33   0.672% *  0.3043% (0.38   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - QD    PHE   59  19.58 +/- 2.40   0.133% *  0.7824% (0.97   0.02   0.02) =   0.004%
          HG    LEU   80 - QD    PHE   59  18.03 +/- 3.70   0.205% *  0.3946% (0.49   0.02   0.02) =   0.003%
    Distance limit 5.45 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 = 0.454, support = 3.33, residual support = 21.7:
        T HG13  ILE  119 - QD    PHE   59   2.79 +/- 0.69  67.276% * 73.0141% (0.41 10.00   3.68  24.05) =  89.730%  kept
        T QG1   VAL  107 - QD    PHE   59   5.70 +/- 1.66  21.099% * 26.5546% (0.84 10.00   0.36   1.09) =  10.235%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.32 +/- 1.53   8.715% *  0.1741% (0.98  1.00   0.02   0.02) =   0.028%
          QG1   VAL   24 - QD    PHE   59  15.44 +/- 3.85   2.134% *  0.1776% (1.00  1.00   0.02   0.02) =   0.007%
          HB3   LEU   31 - QD    PHE   59  16.50 +/- 3.06   0.776% *  0.0796% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.839, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.79 +/- 1.13  54.837% * 60.0043% (0.98   0.02   0.02) =  77.533%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.65 +/- 0.56  31.028% * 22.9752% (0.38   0.02   0.02) =  16.798%  kept
          HB3   LEU  104 - QD    PHE   59  13.82 +/- 2.57  14.135% * 17.0205% (0.28   0.02   0.02) =   5.669%  kept
    Distance limit 5.18 A violated in 17 structures by 2.15 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 4.19, residual support = 24.5:
          QD2   LEU  115 - QD    PHE   59   2.76 +/- 1.02  42.578% * 77.1988% (0.98   4.70  28.10) =  87.111%  kept
          QD1   LEU   63 - QD    PHE   59   3.85 +/- 1.77  27.015% * 13.3645% (0.92   0.86   0.12) =   9.568%  kept
          QD1   LEU   73 - QD    PHE   59  10.22 +/- 3.71  14.229% *  7.3281% (0.92   0.47   0.02) =   2.763%  kept
          QD2   LEU   63 - QD    PHE   59   4.89 +/- 1.56  14.749% *  1.4027% (0.34   0.25   0.12) =   0.548%  kept
          QD1   LEU  104 - QD    PHE   59  11.55 +/- 2.22   0.753% *  0.2683% (0.80   0.02   0.02) =   0.005%
          QD2   LEU   80 - QD    PHE   59  15.20 +/- 2.49   0.332% *  0.3233% (0.97   0.02   0.02) =   0.003%
          QG1   VAL   83 - QD    PHE   59  14.81 +/- 2.75   0.344% *  0.1143% (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 = 0.834, support = 4.43, residual support = 28.1:
        T QD1   LEU  115 - QD    PHE   59   2.95 +/- 0.76  82.570% * 99.3401% (0.84 10.00   4.44  28.10) =  99.905%  kept
          QB    ALA   64 - QD    PHE   59   6.58 +/- 0.62  12.812% *  0.5830% (0.15  1.00   0.64   0.02) =   0.091%
          QG1   VAL   75 - QD    PHE   59   9.36 +/- 1.38   4.618% *  0.0769% (0.65  1.00   0.02   0.02) =   0.004%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.728, support = 1.49, residual support = 27.8:
        T HA    LEU  115 - QE    PHE   59   2.84 +/- 1.07  68.120% * 91.5031% (0.73 10.00   1.50  28.10) =  99.107%  kept
          HA    GLU- 114 - QE    PHE   59   6.77 +/- 0.85   6.714% *  7.5746% (1.00  1.00   0.90   0.02) =   0.809%  kept
        T HA    ARG+  54 - QE    PHE   59  11.21 +/- 2.31  12.773% *  0.3325% (0.20 10.00   0.02   0.02) =   0.068%
          HA    ASN   28 - QE    PHE   59  16.82 +/- 3.43   5.089% *  0.1154% (0.69  1.00   0.02   0.02) =   0.009%
          HA    THR   26 - QE    PHE   59  18.92 +/- 3.18   1.109% *  0.1345% (0.80  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QE    PHE   59  10.14 +/- 1.62   4.828% *  0.0294% (0.18  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QE    PHE   59  16.08 +/- 2.41   0.922% *  0.1457% (0.87  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - QE    PHE   59  18.23 +/- 2.69   0.447% *  0.1647% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.8, residual support = 12.4:
        T HB    THR  118 - QE    PHE   59   2.91 +/- 0.78  93.782% * 99.7362% (0.95 10.00   1.80  12.35) =  99.996%  kept
          HA    ILE   89 - QE    PHE   59  16.85 +/- 2.72   1.724% *  0.0712% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QE    PHE   59  18.54 +/- 3.62   2.154% *  0.0482% (0.41  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QE    PHE   59  15.98 +/- 2.57   1.087% *  0.0526% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QE    PHE   59  17.74 +/- 2.57   0.664% *  0.0712% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QE    PHE   59  20.24 +/- 3.56   0.590% *  0.0206% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.772, support = 0.467, residual support = 1.38:
          HB    VAL  107 - QE    PHE   59   5.47 +/- 2.33  41.601% * 53.8298% (0.80   0.51   1.09) =  72.602%  kept
          QE    LYS+ 112 - QE    PHE   59   6.79 +/- 2.07  31.703% * 15.9089% (1.00   0.12   0.02) =  16.351%  kept
          HB3   ASP-  62 - QE    PHE   59   6.73 +/- 1.28  19.640% * 14.8464% (0.14   0.83   6.17) =   9.453%  kept
          HB3   PHE   45 - QE    PHE   59  11.14 +/- 1.87   3.809% * 11.9511% (1.00   0.09   0.02) =   1.476%  kept
          HG2   GLU-  29 - QE    PHE   59  19.96 +/- 3.42   1.167% *  1.6108% (0.61   0.02   0.02) =   0.061%
          QG    GLN   32 - QE    PHE   59  17.96 +/- 2.79   1.388% *  0.6622% (0.25   0.02   0.02) =   0.030%
          HB3   ASP-  86 - QE    PHE   59  19.31 +/- 3.29   0.692% *  1.1907% (0.45   0.02   0.02) =   0.027%
    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 = 0.736, support = 4.2, residual support = 23.2:
          HG12  ILE  119 - QE    PHE   59   2.50 +/- 0.56  81.946% * 67.5982% (0.73   4.33  24.05) =  96.423%  kept
          HB2   ASP-  44 - QE    PHE   59   8.09 +/- 1.97   5.658% * 19.4022% (0.99   0.91   0.02) =   1.911%  kept
          HB3   PHE   72 - QE    PHE   59   8.85 +/- 3.12   8.408% * 11.2617% (1.00   0.52   0.02) =   1.648%  kept
          QB    MET   11 - QE    PHE   59  20.75 +/- 4.97   1.084% *  0.2263% (0.53   0.02   0.02) =   0.004%
          QG    GLU-  14 - QE    PHE   59  17.73 +/- 2.60   0.478% *  0.4291% (1.00   0.02   0.02) =   0.004%
          QG    GLU-  15 - QE    PHE   59  16.21 +/- 1.98   0.470% *  0.4068% (0.95   0.02   0.02) =   0.003%
          QG    GLN   90 - QE    PHE   59  17.10 +/- 1.75   0.429% *  0.4216% (0.98   0.02   0.02) =   0.003%
          HG3   MET   92 - QE    PHE   59  12.91 +/- 1.48   0.951% *  0.1072% (0.25   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   59  18.90 +/- 3.29   0.576% *  0.1467% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 0.688, support = 3.64, residual support = 18.7:
          HG13  ILE  119 - QE    PHE   59   3.31 +/- 0.60  43.679% * 66.5256% (0.73   4.17  24.05) =  76.784%  kept
          QG1   VAL  107 - QE    PHE   59   4.30 +/- 1.99  34.740% * 23.1167% (0.53   2.00   1.09) =  21.221%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.22 +/- 1.81   7.400% *  9.5312% (0.95   0.46   0.02) =   1.864%  kept
          QG1   VAL   24 - QE    PHE   59  15.19 +/- 4.23  11.724% *  0.3811% (0.87   0.02   0.02) =   0.118%  kept
          HB3   LEU   31 - QE    PHE   59  15.69 +/- 3.31   0.949% *  0.3358% (0.76   0.02   0.02) =   0.008%
          QB    ALA   20 - QE    PHE   59  13.38 +/- 2.81   1.509% *  0.1096% (0.25   0.02   0.02) =   0.004%
    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 = 0.804, support = 2.43, residual support = 22.9:
        T QD2   LEU  115 - QE    PHE   59   3.01 +/- 0.82  41.380% * 77.2673% (0.87 10.00   2.84  28.10) =  81.366%  kept
        T QD1   LEU   63 - QE    PHE   59   4.06 +/- 2.08  39.904% * 16.2100% (0.53 10.00   0.69   0.12) =  16.461%  kept
        T QD1   LEU   73 - QE    PHE   59   9.88 +/- 4.07  15.335% *  5.4704% (0.53 10.00   0.23   0.02) =   2.135%  kept
        T QD1   LEU  104 - QE    PHE   59  10.29 +/- 2.45   1.592% *  0.8888% (1.00 10.00   0.02   0.02) =   0.036%
          QG1   VAL   83 - QE    PHE   59  14.61 +/- 3.04   0.578% *  0.0681% (0.76  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   59  15.13 +/- 2.72   0.410% *  0.0799% (0.90  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  12.69 +/- 2.17   0.802% *  0.0156% (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 = 2.88, residual support = 27.2:
          QD1   LEU  115 - QE    PHE   59   3.28 +/- 0.83  83.027% * 79.9922% (0.45   2.96  28.10) =  96.717%  kept
          QB    ALA   64 - QE    PHE   59   6.97 +/- 0.99  11.366% * 19.6723% (0.45   0.73   0.02) =   3.256%  kept
          QG1   VAL   75 - QE    PHE   59   9.26 +/- 1.20   5.607% *  0.3355% (0.28   0.02   0.02) =   0.027%
    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 = 4.19, residual support = 12.4:
          QG2   THR  118 - QE    PHE   59   2.69 +/- 1.03 100.000% *100.0000% (0.80   4.19  12.35) = 100.000%  kept
    Distance limit 5.00 A violated in 1 structures by 0.08 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.989, support = 1.09, residual support = 72.1:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  81.663% * 98.4187% (0.99  10.0   1.10  72.27) =  99.752%  kept
          QE    PHE   59 - QE    PHE   60   6.78 +/- 2.60  14.988% *  1.3043% (0.28   1.0   0.52  20.32) =   0.243%  kept
          HN    LYS+  66 - QE    PHE   60   8.65 +/- 1.25   1.736% *  0.1385% (0.76   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - QE    PHE   60  15.57 +/- 3.96   1.613% *  0.1385% (0.76   1.0   0.02   0.02) =   0.003%
    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 = 0.853, support = 2.05, residual support = 6.02:
          HB3   PHE   72 - QE    PHE   60   7.21 +/- 3.44  25.053% * 68.2171% (0.87   2.71   8.23) =  67.983%  kept
          HB2   ASP-  44 - QE    PHE   60   5.46 +/- 2.73  35.258% * 16.1068% (0.76   0.73   1.86) =  22.589%  kept
          HG12  ILE  119 - QE    PHE   60   8.61 +/- 2.72  17.388% * 13.3185% (0.98   0.47   0.02) =   9.212%  kept
          HB2   ASP- 105 - QE    PHE   60  12.46 +/- 3.44  10.921% *  0.1290% (0.22   0.02   0.02) =   0.056%
          HG3   MET   92 - QE    PHE   60  12.53 +/- 3.40   4.163% *  0.3280% (0.57   0.02   0.02) =   0.054%
          QG    GLN   90 - QE    PHE   60  14.71 +/- 2.99   1.789% *  0.5349% (0.92   0.02   0.02) =   0.038%
          HB2   GLU-  29 - QE    PHE   60  17.70 +/- 4.48   1.268% *  0.3980% (0.69   0.02   0.02) =   0.020%
          QG    GLU-  15 - QE    PHE   60  15.97 +/- 4.42   1.296% *  0.3748% (0.65   0.02   0.02) =   0.019%
          QG    GLU-  14 - QE    PHE   60  17.19 +/- 3.73   1.000% *  0.4640% (0.80   0.02   0.02) =   0.018%
          QB    MET   11 - QE    PHE   60  20.32 +/- 5.45   1.863% *  0.1290% (0.22   0.02   0.02) =   0.010%
    Distance limit 5.39 A violated in 1 structures by 0.31 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 1.43, residual support = 3.67:
          HB    VAL   42 - QE    PHE   60   8.06 +/- 3.04  15.209% * 54.1149% (1.00  1.00   1.78   4.67) =  61.184%  kept
          HB3   LEU   73 - QE    PHE   60   8.42 +/- 3.41  11.987% * 32.7235% (0.98  1.00   1.09   2.78) =  29.160%  kept
          HG3   LYS+  65 - QE    PHE   60   9.04 +/- 2.55  11.736% *  6.0287% (1.00  1.00   0.20   0.02) =   5.260%  kept
          HB3   LYS+  74 - QE    PHE   60   7.66 +/- 3.30  17.129% *  2.1647% (0.25  1.00   0.28   0.02) =   2.756%  kept
        T QB    ALA   84 - QE    PHE   60  12.50 +/- 3.40   7.390% *  1.5217% (0.25 10.00   0.02   0.02) =   0.836%  kept
          HG3   LYS+ 106 - QE    PHE   60  12.93 +/- 2.66   5.139% *  0.5097% (0.84  1.00   0.02   0.02) =   0.195%  kept
          HB3   PRO   93 - QE    PHE   60   7.94 +/- 3.47  15.320% *  0.1697% (0.28  1.00   0.02   0.02) =   0.193%  kept
          HB2   LYS+ 112 - QE    PHE   60  11.17 +/- 3.13   3.066% *  0.5633% (0.92  1.00   0.02   0.02) =   0.128%  kept
          QB    LEU   98 - QE    PHE   60  11.97 +/- 2.24   3.745% *  0.2970% (0.49  1.00   0.02   0.02) =   0.083%
          HG3   LYS+ 102 - QE    PHE   60  19.26 +/- 2.91   1.592% *  0.5889% (0.97  1.00   0.02   0.02) =   0.070%
          HG3   LYS+  33 - QE    PHE   60  16.86 +/- 3.82   1.046% *  0.6089% (1.00  1.00   0.02   0.02) =   0.047%
          QB    ALA   12 - QE    PHE   60  18.29 +/- 4.27   1.056% *  0.4664% (0.76  1.00   0.02   0.02) =   0.037%
          HD3   LYS+ 121 - QE    PHE   60  13.53 +/- 3.57   3.042% *  0.1359% (0.22  1.00   0.02   0.02) =   0.031%
          HG    LEU   98 - QE    PHE   60  13.90 +/- 3.11   2.546% *  0.1069% (0.18  1.00   0.02   0.02) =   0.020%
    Distance limit 5.41 A violated in 1 structures by 0.23 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.201, support = 1.33, residual support = 4.28:
        T QD1   ILE   56 - QE    PHE   60   6.18 +/- 2.35  57.284% * 98.7688% (0.20 10.00   1.34   4.30) =  99.533%  kept
          QD2   LEU  123 - QE    PHE   60  11.80 +/- 2.77  23.236% *  0.6891% (0.92  1.00   0.02   0.02) =   0.282%  kept
          HG3   LYS+ 121 - QE    PHE   60  13.69 +/- 3.71  19.479% *  0.5421% (0.73  1.00   0.02   0.02) =   0.186%  kept
    Distance limit 5.50 A violated in 4 structures by 0.79 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.661, support = 1.49, residual support = 3.37:
          QB    ALA   64 - QE    PHE   60   4.48 +/- 2.02  43.720% * 59.6856% (0.84   1.23   2.68) =  64.708%  kept
          QG1   VAL   42 - QE    PHE   60   5.48 +/- 2.50  35.493% * 39.7914% (0.34   2.00   4.67) =  35.022%  kept
          QB    ALA   47 - QE    PHE   60   8.72 +/- 2.87  20.788% *  0.5230% (0.45   0.02   0.02) =   0.270%  kept
    Distance limit 5.19 A violated in 1 structures by 0.18 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.787, support = 2.33, residual support = 4.97:
          HB3   PHE   72 - QD    PHE   60   7.03 +/- 3.20  28.049% * 55.4601% (0.76   3.04   8.23) =  50.322%  kept
          HB2   ASP-  44 - QD    PHE   60   4.75 +/- 2.50  38.761% * 35.3506% (0.87   1.70   1.86) =  44.326%  kept
          HG12  ILE  119 - QD    PHE   60   7.13 +/- 2.08  21.854% *  7.4129% (0.34   0.91   0.02) =   5.241%  kept
          QG    GLU-  15 - QD    PHE   60  15.93 +/- 3.71   2.397% *  0.4523% (0.95   0.02   0.02) =   0.035%
          QG    GLU-  14 - QD    PHE   60  17.16 +/- 3.12   2.027% *  0.3994% (0.84   0.02   0.02) =   0.026%
          QB    MET   11 - QD    PHE   60  20.22 +/- 5.12   1.552% *  0.4288% (0.90   0.02   0.02) =   0.022%
          QG    GLN   90 - QD    PHE   60  14.75 +/- 2.40   1.738% *  0.3284% (0.69   0.02   0.02) =   0.018%
          HG2   MET   92 - QD    PHE   60  11.88 +/- 2.92   3.095% *  0.0837% (0.18   0.02   0.02) =   0.008%
          HG3   GLU-  36 - QD    PHE   60  21.09 +/- 2.40   0.528% *  0.0837% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.46 A violated in 1 structures by 0.20 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.28, residual support = 90.6:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.290% * 99.8968% (0.87  10.0   3.28  90.59) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  11.29 +/- 2.33   1.034% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.43 +/- 1.82   0.676% *  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 = 0.714, support = 3.36, residual support = 7.42:
          QD    PHE   60 - QD    PHE   72   5.17 +/- 2.42  47.087% * 82.3445% (0.76   3.60   8.23) =  90.064%  kept
          HE3   TRP   27 - QD    PHE   72   7.68 +/- 2.33  29.149% * 10.0472% (0.25   1.34   0.02) =   6.803%  kept
          HN    LYS+  66 - QD    PHE   72   7.05 +/- 0.92  19.334% *  6.8956% (0.28   0.83   0.19) =   3.097%  kept
          HN    LYS+  81 - QD    PHE   72  15.86 +/- 2.34   2.249% *  0.5941% (0.99   0.02   0.02) =   0.031%
          QD    PHE   55 - QD    PHE   72  14.20 +/- 1.98   2.181% *  0.1186% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.64 A violated in 1 structures by 0.26 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.491, support = 1.62, residual support = 11.4:
          QE    PHE   60 - QD    PHE   72   5.34 +/- 2.67  43.468% * 33.4455% (0.18   2.56   8.23) =  49.881%  kept
          HN    LEU   63 - QD    PHE   72   6.65 +/- 1.38  27.959% * 45.7492% (0.80   0.77  16.63) =  43.887%  kept
          HD21  ASN   28 - QD    PHE   72  11.98 +/- 2.48  10.051% * 12.9874% (0.90   0.19   0.02) =   4.479%  kept
          HZ2   TRP   87 - QD    PHE   72  15.63 +/- 3.58   7.477% *  5.8726% (0.73   0.11   0.02) =   1.506%  kept
          HN    ILE   56 - QD    PHE   72  13.23 +/- 2.47   3.747% *  1.0246% (0.69   0.02   0.02) =   0.132%  kept
          HN    ALA   84 - QD    PHE   72  15.98 +/- 2.04   3.698% *  0.4604% (0.31   0.02   0.02) =   0.058%
          HN    LYS+ 111 - QD    PHE   72  15.03 +/- 1.70   3.600% *  0.4604% (0.31   0.02   0.02) =   0.057%
    Distance limit 5.35 A violated in 4 structures by 0.49 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.62, residual support = 90.6:
          HN    PHE   72 - QD    PHE   72   2.46 +/- 0.64  98.079% * 99.8237% (0.98   5.62  90.59) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  11.76 +/- 1.21   1.921% *  0.1763% (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 = 2.09, residual support = 90.6:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  51.065% * 52.6465% (0.76  10.0 10.00   1.09  90.59) =  54.255%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.902% * 47.3200% (0.69  10.0 10.00   3.28  90.59) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   8.69 +/- 1.42   1.033% *  0.0335% (0.49   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 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.676, support = 1.17, residual support = 6.79:
          QD    PHE   60 - QE    PHE   72   4.59 +/- 1.92  46.864% * 70.9527% (0.76   1.26   8.23) =  82.129%  kept
          HN    LYS+  66 - QE    PHE   72   5.56 +/- 0.83  34.635% * 16.3569% (0.28   0.80   0.19) =  13.993%  kept
          HE3   TRP   27 - QE    PHE   72   9.30 +/- 1.98  14.003% * 10.9415% (0.25   0.60   0.02) =   3.784%  kept
          HN    LYS+  81 - QE    PHE   72  15.62 +/- 2.43   2.123% *  1.4578% (0.99   0.02   0.02) =   0.076%
          QD    PHE   55 - QE    PHE   72  13.46 +/- 1.59   2.375% *  0.2911% (0.20   0.02   0.02) =   0.017%
    Distance limit 4.85 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 = 1.09, residual support = 90.6:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.114% * 99.8396% (1.00  10.0   1.09  90.59) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  13.56 +/- 2.35   0.557% *  0.1038% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  15.37 +/- 2.28   0.330% *  0.0566% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.62, residual support = 90.6:
          HA    PHE   72 - QD    PHE   72   3.54 +/- 0.31  93.183% * 99.8358% (0.90   4.62  90.59) =  99.988%  kept
          HA    MET   96 - QD    PHE   72   9.39 +/- 1.07   6.817% *  0.1642% (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 = 0.557, support = 0.02, residual support = 0.02:
          HA    ASP-  78 - QD    PHE   72  14.33 +/- 0.98  12.725% * 41.1037% (0.92   0.02   0.02) =  30.925%  kept
          HA    THR   23 - QD    PHE   72  13.50 +/- 2.44  15.985% * 28.8048% (0.65   0.02   0.02) =  27.224%  kept
          HA    PHE   45 - QD    PHE   72   8.91 +/- 1.43  46.287% *  9.9133% (0.22   0.02   0.02) =  27.131%  kept
          HA    LEU   80 - QD    PHE   72  14.69 +/- 2.31  11.780% * 12.3802% (0.28   0.02   0.02) =   8.623%  kept
          HB    THR   23 - QD    PHE   72  14.43 +/- 2.73  13.223% *  7.7981% (0.18   0.02   0.02) =   6.097%  kept
    Distance limit 5.31 A violated in 18 structures by 3.04 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 3.95, residual support = 62.3:
        T HA    ALA   64 - QD    PHE   72   3.74 +/- 0.79  27.591% * 82.1338% (0.92   1.0 10.00   3.60  46.86) =  64.660%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.43 +/- 0.15  70.324% * 17.6079% (0.20  10.0 10.00   4.58  90.59) =  35.331%  kept
          QE    LYS+  66 - QD    PHE   72   9.76 +/- 1.44   1.479% *  0.2114% (0.25   1.0  1.00   0.19   0.19) =   0.009%
          HB3   ASN   35 - QD    PHE   72  13.86 +/- 1.85   0.606% *  0.0468% (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 = 4.87, residual support = 90.4:
      O T HB3   PHE   72 - QD    PHE   72   2.47 +/- 0.14  72.047% * 96.4357% (0.98  10.0 10.00   4.87  90.59) =  99.815%  kept
          HG12  ILE  119 - QD    PHE   72   9.65 +/- 2.78   3.502% *  3.0783% (0.87   1.0  1.00   0.72   0.24) =   0.155%  kept
          HB2   ASP-  44 - QD    PHE   72   5.27 +/- 1.77  19.832% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.026%
          QG    GLU-  15 - QD    PHE   72  11.87 +/- 4.65   1.526% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QD    PHE   72  13.33 +/- 2.97   1.328% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72  13.64 +/- 3.22   0.620% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   72  16.91 +/- 2.04   0.313% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.11 +/- 3.32   0.448% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  15.53 +/- 2.07   0.383% *  0.0369% (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 = 0.762, support = 1.8, residual support = 12.0:
        T HB    VAL   42 - QD    PHE   72   4.07 +/- 0.78  35.434% * 56.6838% (0.80 10.00   0.92   5.05) =  70.843%  kept
          HB3   LEU   73 - QD    PHE   72   5.30 +/- 0.76  19.780% * 26.0328% (0.73  1.00   4.66  44.90) =  18.162%  kept
          HB3   LYS+  74 - QD    PHE   72   5.60 +/- 1.81  23.870% * 12.3979% (0.57  1.00   2.85   2.33) =  10.438%  kept
          HG3   LYS+  65 - QD    PHE   72   8.75 +/- 1.13   4.129% *  3.2184% (0.80  1.00   0.52   0.02) =   0.469%  kept
        T HB2   LYS+ 112 - QD    PHE   72  14.73 +/- 3.31   0.773% *  0.9333% (0.61 10.00   0.02   0.02) =   0.025%
          QB    LEU   98 - QD    PHE   72   8.92 +/- 1.11   4.336% *  0.1285% (0.84  1.00   0.02   0.02) =   0.020%
          HG3   LYS+  33 - QD    PHE   72  11.35 +/- 2.81   3.890% *  0.1335% (0.87  1.00   0.02   0.02) =   0.018%
          QB    ALA   12 - QD    PHE   72  15.14 +/- 3.24   1.373% *  0.1525% (0.99  1.00   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - QD    PHE   72  12.55 +/- 2.97   2.128% *  0.0810% (0.53  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - QD    PHE   72  12.39 +/- 1.76   1.526% *  0.0749% (0.49  1.00   0.02   0.02) =   0.004%
          HB2   LEU   80 - QD    PHE   72  13.62 +/- 2.95   1.824% *  0.0578% (0.38  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QD    PHE   72  16.16 +/- 2.35   0.937% *  0.1057% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 4.79 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 = 0.494, support = 1.42, residual support = 21.1:
        T QD1   LEU   67 - QD    PHE   72   3.66 +/- 0.76  36.780% * 55.0274% (0.41 10.00   1.50  27.81) =  74.990%  kept
          HB    VAL   75 - QD    PHE   72   4.95 +/- 1.13  22.111% * 15.4480% (0.98  1.00   1.77   1.65) =  12.656%  kept
        T QD1   ILE  119 - QD    PHE   72   8.48 +/- 2.61  11.308% * 27.1786% (0.53 10.00   0.58   0.24) =  11.388%  kept
          HG3   LYS+  74 - QD    PHE   72   6.84 +/- 1.60  11.585% *  2.1389% (0.22  1.00   1.08   2.33) =   0.918%  kept
          QD2   LEU   40 - QD    PHE   72   5.40 +/- 1.12  14.335% *  0.0800% (0.45  1.00   0.02   0.02) =   0.042%
          QG2   ILE  103 - QD    PHE   72  10.17 +/- 1.36   1.660% *  0.0551% (0.31  1.00   0.02   0.02) =   0.003%
          HB2   LEU  104 - QD    PHE   72  11.94 +/- 1.55   1.173% *  0.0445% (0.25  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD    PHE   72  12.42 +/- 1.34   1.048% *  0.0275% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 5.31 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 = 0.939, support = 6.56, residual support = 44.5:
          QD2   LEU   73 - QD    PHE   72   3.47 +/- 0.83  56.573% * 96.6741% (0.95   6.61  44.90) =  99.157%  kept
          QG1   VAL   43 - QD    PHE   72   6.06 +/- 1.40  22.043% *  1.5266% (0.15   0.64   0.02) =   0.610%  kept
          QG1   VAL   41 - QD    PHE   72   7.15 +/- 0.94   8.851% *  1.0723% (0.28   0.25   0.02) =   0.172%  kept
          QD1   ILE   56 - QD    PHE   72   9.67 +/- 2.26   6.096% *  0.3063% (0.99   0.02   0.02) =   0.034%
          HG    LEU   31 - QD    PHE   72   9.54 +/- 1.91   4.880% *  0.2581% (0.84   0.02   0.02) =   0.023%
          HG3   LYS+ 121 - QD    PHE   72  12.72 +/- 2.56   1.558% *  0.1626% (0.53   0.02   0.02) =   0.005%
    Distance limit 5.34 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 = 5.86, residual support = 46.9:
        T QB    ALA   64 - QD    PHE   72   3.13 +/- 0.95  91.882% * 99.9781% (0.80 10.00   5.86  46.86) =  99.998%  kept
          QD1   LEU  115 - QD    PHE   72   9.25 +/- 2.33   8.118% *  0.0219% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 4.58 A violated in 0 structures by 0.10 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.74, residual support = 48.3:
        T QG2   VAL   70 - QD    PHE   72   2.09 +/- 0.47 100.000% *100.0000% (0.65 10.00   3.74  48.31) = 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 = 0.38, support = 4.06, residual support = 46.3:
        T HA    ALA   64 - QE    PHE   72   2.62 +/- 0.61  89.097% * 90.5286% (0.38 10.00   4.09  46.86) =  98.859%  kept
          QE    LYS+  66 - QE    PHE   72   8.46 +/- 1.46  10.066% *  9.2324% (0.80  1.00   0.96   0.19) =   1.139%  kept
          HB3   ASN   35 - QE    PHE   72  15.30 +/- 1.91   0.837% *  0.2391% (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 = 4.18, residual support = 46.6:
        T HB    VAL   70 - QE    PHE   72   2.65 +/- 0.97  71.035% * 86.1028% (0.99 10.00   4.33  48.31) =  96.371%  kept
        T QG    GLN   17 - QE    PHE   72  10.66 +/- 5.76  16.814% * 13.6605% (0.97 10.00   0.33   0.02) =   3.619%  kept
          HB2   MET   96 - QE    PHE   72   8.60 +/- 1.85   6.194% *  0.0726% (0.84  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  76 - QE    PHE   72   9.66 +/- 1.02   2.200% *  0.0268% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   72  14.79 +/- 2.45   1.559% *  0.0326% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  16.81 +/- 2.21   0.441% *  0.0779% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   72  12.55 +/- 2.05   1.218% *  0.0134% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.17 +/- 1.68   0.540% *  0.0134% (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 = 0.461, support = 3.12, residual support = 26.7:
        T HB2   LEU   67 - QE    PHE   72   3.04 +/- 0.98  52.212% * 85.6663% (0.45 10.00   3.19  27.81) =  95.966%  kept
          HG2   PRO   68 - QE    PHE   72   7.39 +/- 1.39  15.050% * 12.0709% (0.80  1.00   1.58   0.59) =   3.898%  kept
          HB    ILE   19 - QE    PHE   72  10.49 +/- 4.37   2.804% *  1.6454% (0.73  1.00   0.24   0.02) =   0.099%
          HB    VAL   18 - QE    PHE   72   9.53 +/- 7.51  19.092% *  0.0425% (0.22  1.00   0.02   1.32) =   0.017%
          HB2   LEU  115 - QE    PHE   72  11.27 +/- 1.75   2.290% *  0.1596% (0.84  1.00   0.02   0.02) =   0.008%
          HG3   PRO   58 - QE    PHE   72  12.45 +/- 1.22   1.168% *  0.1657% (0.87  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QE    PHE   72  13.23 +/- 1.53   1.022% *  0.1236% (0.65  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QE    PHE   72  11.95 +/- 6.08   3.410% *  0.0335% (0.18  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QE    PHE   72  12.50 +/- 4.84   2.580% *  0.0335% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QE    PHE   72  17.08 +/- 2.18   0.371% *  0.0590% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.06 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.593, support = 2.51, residual support = 15.9:
          HB3   LEU   67 - QE    PHE   72   3.15 +/- 0.97  45.653% * 34.4546% (0.38   3.17  27.81) =  53.767%  kept
          HB3   LYS+  74 - QE    PHE   72   5.85 +/- 2.30  25.779% * 47.6092% (0.90   1.83   2.33) =  41.953%  kept
          QG    LYS+  66 - QE    PHE   72   6.95 +/- 1.30  10.228% *  8.0348% (0.22   1.25   0.19) =   2.809%  kept
          QB    ALA   61 - QE    PHE   72   6.51 +/- 0.92   7.463% *  3.0488% (0.53   0.20   0.02) =   0.778%  kept
          HG12  ILE   19 - QE    PHE   72  10.93 +/- 4.59   4.094% *  4.2874% (0.84   0.18   0.02) =   0.600%  kept
          QB    LEU   98 - QE    PHE   72   9.67 +/- 1.60   2.337% *  0.3749% (0.65   0.02   0.02) =   0.030%
          HD3   LYS+ 121 - QE    PHE   72  12.76 +/- 2.55   1.089% *  0.5349% (0.92   0.02   0.02) =   0.020%
          HB2   LEU   80 - QE    PHE   72  13.43 +/- 2.71   0.663% *  0.5743% (0.99   0.02   0.02) =   0.013%
          QB    ALA  110 - QE    PHE   72  12.67 +/- 1.32   0.700% *  0.4429% (0.76   0.02   0.02) =   0.011%
          HG    LEU   80 - QE    PHE   72  14.04 +/- 3.53   0.684% *  0.4208% (0.73   0.02   0.02) =   0.010%
          QB    ALA   12 - QE    PHE   72  15.64 +/- 3.57   1.310% *  0.2175% (0.38   0.02   0.02) =   0.010%
    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 = 0.445, support = 3.69, residual support = 24.7:
        T QD1   LEU   67 - QE    PHE   72   2.47 +/- 0.59  54.924% * 48.8964% (0.41 10.00   3.99  27.81) =  88.416%  kept
        T QD1   ILE  119 - QE    PHE   72   8.04 +/- 2.06   4.481% * 41.7832% (0.53 10.00   1.34   0.24) =   6.164%  kept
          HB    VAL   75 - QE    PHE   72   4.76 +/- 1.11  18.168% *  8.2771% (0.98  1.00   1.42   1.65) =   4.951%  kept
          HG3   LYS+  74 - QE    PHE   72   6.36 +/- 2.40  15.419% *  0.9052% (0.22  1.00   0.68   2.33) =   0.460%  kept
          QD2   LEU   40 - QE    PHE   72   6.37 +/- 1.09   4.499% *  0.0533% (0.45  1.00   0.02   0.02) =   0.008%
          QG2   ILE  103 - QE    PHE   72  10.72 +/- 1.86   1.163% *  0.0367% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  12.57 +/- 2.45   0.736% *  0.0297% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.45 +/- 1.83   0.611% *  0.0184% (0.15  1.00   0.02   0.02) =   0.000%
    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 = 0.619, support = 4.37, residual support = 22.3:
          HB3   LEU   63 - QE    PHE   72   3.94 +/- 1.56  33.515% * 77.7304% (0.73   4.35  16.63) =  80.348%  kept
          QG1   VAL   70 - QE    PHE   72   3.52 +/- 0.51  29.509% * 20.3609% (0.18   4.72  48.31) =  18.531%  kept
          QG1   VAL   18 - QE    PHE   72   7.38 +/- 6.18  27.294% *  1.2684% (0.25   0.21   1.32) =   1.068%  kept
          QD1   LEU   40 - QE    PHE   72   5.24 +/- 1.08   8.973% *  0.1520% (0.31   0.02   0.02) =   0.042%
          QG1   VAL  108 - QE    PHE   72  13.26 +/- 1.61   0.709% *  0.4882% (0.99   0.02   0.02) =   0.011%
    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 = 22.7:
          QD2   LEU   63 - QE    PHE   72   3.85 +/- 1.45  39.561% * 29.0534% (0.69   3.87  16.63) =  43.555%  kept
          QD1   LEU   63 - QE    PHE   72   4.53 +/- 1.20  25.020% * 36.6044% (0.98   3.41  16.63) =  34.705%  kept
          QD1   LEU   73 - QE    PHE   72   6.53 +/- 1.44  16.908% * 33.7620% (0.98   3.15  44.90) =  21.631%  kept
          QD2   LEU  115 - QE    PHE   72   8.83 +/- 1.72   8.228% *  0.1588% (0.73   0.02   0.02) =   0.050%
          QG2   VAL   41 - QE    PHE   72   7.48 +/- 1.16   5.906% *  0.1731% (0.18   0.09   0.02) =   0.039%
          QD2   LEU   80 - QE    PHE   72  11.46 +/- 2.58   1.952% *  0.1502% (0.69   0.02   0.02) =   0.011%
          QD1   LEU  104 - QE    PHE   72  10.63 +/- 2.27   2.426% *  0.0981% (0.45   0.02   0.02) =   0.009%
    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 = 5.07, residual support = 46.4:
          QB    ALA   64 - QE    PHE   72   2.59 +/- 0.67  64.814% * 97.3685% (0.69   5.13  46.86) =  98.858%  kept
          QG1   VAL   42 - QE    PHE   72   4.05 +/- 1.24  33.115% *  2.1867% (0.49   0.16   5.05) =   1.134%  kept
          QB    ALA   47 - QE    PHE   72  11.25 +/- 1.75   1.290% *  0.3354% (0.61   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - QE    PHE   72  13.53 +/- 2.85   0.782% *  0.1094% (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 = 5.25, residual support = 48.3:
        T QG2   VAL   70 - QE    PHE   72   2.86 +/- 0.42 100.000% *100.0000% (0.90 10.00   5.25  48.31) = 100.000%  kept
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.646, support = 2.93, residual support = 46.6:
        T HA    ALA   64 - HZ    PHE   72   2.89 +/- 0.78  85.327% * 96.7623% (0.65 10.00   2.94  46.86) =  99.468%  kept
          QE    LYS+  66 - HZ    PHE   72   9.17 +/- 1.56  14.158% *  3.1128% (0.53  1.00   0.79   0.19) =   0.531%  kept
          HB3   ASN   35 - HZ    PHE   72  18.17 +/- 2.12   0.515% *  0.1249% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.28, residual support = 48.1:
        T HB    VAL   70 - HZ    PHE   72   4.66 +/- 1.10  61.079% * 98.2503% (0.92 10.00   3.30  48.31) =  99.533%  kept
        T QG    GLN   17 - HZ    PHE   72  12.46 +/- 6.61  18.140% *  1.0272% (0.97 10.00   0.02   0.02) =   0.309%  kept
        T HB2   MET   96 - HZ    PHE   72  10.25 +/- 2.50  16.683% *  0.5600% (0.53 10.00   0.02   0.02) =   0.155%  kept
          HB2   GLU-  25 - HZ    PHE   72  19.76 +/- 2.48   0.880% *  0.1062% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.85 +/- 2.05   1.223% *  0.0399% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  17.51 +/- 2.75   1.995% *  0.0164% (0.15  1.00   0.02   0.02) =   0.001%
    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 = 0.459, support = 3.02, residual support = 26.8:
        T HB2   LEU   67 - HZ    PHE   72   3.95 +/- 0.93  49.198% * 85.0791% (0.45 10.00   3.08  27.81) =  96.276%  kept
          HG2   PRO   68 - HZ    PHE   72   8.72 +/- 1.82  12.608% * 11.9668% (0.80  1.00   1.58   0.59) =   3.470%  kept
          HB    VAL   18 - HZ    PHE   72  11.15 +/- 8.61  24.415% *  0.1753% (0.22  1.00   0.08   1.32) =   0.098%
          HB    ILE   19 - HZ    PHE   72  12.66 +/- 4.93   2.434% *  1.6341% (0.73  1.00   0.24   0.02) =   0.091%
          HB2   GLN   17 - HZ    PHE   72  14.07 +/- 6.90   3.045% *  0.6071% (0.18  1.00   0.37   0.02) =   0.043%
          HB2   LEU  115 - HZ    PHE   72  12.56 +/- 2.05   2.647% *  0.1585% (0.84  1.00   0.02   0.02) =   0.010%
          HG3   PRO   58 - HZ    PHE   72  13.59 +/- 1.46   1.289% *  0.1646% (0.87  1.00   0.02   0.02) =   0.005%
          QB    GLU- 114 - HZ    PHE   72  14.86 +/- 2.02   1.388% *  0.1228% (0.65  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - HZ    PHE   72  14.69 +/- 5.52   2.572% *  0.0332% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  20.09 +/- 2.40   0.404% *  0.0586% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 5.01 A violated in 0 structures by 0.05 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.571, support = 2.42, residual support = 17.1:
          HB3   LEU   67 - HZ    PHE   72   3.99 +/- 0.77  42.632% * 35.9792% (0.38   2.98  27.81) =  58.303%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.56 +/- 2.84  19.740% * 50.4114% (0.90   1.75   2.33) =  37.824%  kept
          QG    LYS+  66 - HZ    PHE   72   7.49 +/- 1.33  13.600% *  5.6645% (0.22   0.79   0.19) =   2.928%  kept
          HG12  ILE   19 - HZ    PHE   72  13.12 +/- 5.16   3.538% *  4.7591% (0.84   0.18   0.02) =   0.640%  kept
          QB    ALA   61 - HZ    PHE   72   7.12 +/- 0.92  10.337% *  0.3384% (0.53   0.02   0.02) =   0.133%  kept
          QB    LEU   98 - HZ    PHE   72  11.51 +/- 2.08   3.862% *  0.4161% (0.65   0.02   0.02) =   0.061%
          HD3   LYS+ 121 - HZ    PHE   72  14.66 +/- 2.86   1.427% *  0.5938% (0.92   0.02   0.02) =   0.032%
          QB    ALA  110 - HZ    PHE   72  14.29 +/- 1.82   1.293% *  0.4916% (0.76   0.02   0.02) =   0.024%
          HB2   LEU   80 - HZ    PHE   72  15.57 +/- 2.93   0.925% *  0.6375% (0.99   0.02   0.02) =   0.022%
          HG    LEU   80 - HZ    PHE   72  16.23 +/- 3.76   0.953% *  0.4671% (0.73   0.02   0.02) =   0.017%
          QB    ALA   12 - HZ    PHE   72  17.99 +/- 4.19   1.694% *  0.2414% (0.38   0.02   0.02) =   0.016%
    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 = 0.533, support = 2.94, residual support = 21.2:
        T QD1   LEU   67 - HZ    PHE   72   3.24 +/- 0.50  54.396% * 33.6096% (0.41 10.00   3.51  27.81) =  74.925%  kept
        T HB    VAL   75 - HZ    PHE   72   6.68 +/- 0.89   9.270% * 54.7215% (0.98 10.00   1.37   1.65) =  20.789%  kept
        T QD1   ILE  119 - HZ    PHE   72   8.88 +/- 2.25   8.498% * 10.9825% (0.53 10.00   0.51   0.24) =   3.825%  kept
          HG3   LYS+  74 - HZ    PHE   72   7.79 +/- 3.14  18.552% *  0.5916% (0.22  1.00   0.65   2.33) =   0.450%  kept
          QD2   LEU   40 - HZ    PHE   72   8.12 +/- 1.29   5.207% *  0.0367% (0.45  1.00   0.02   0.02) =   0.008%
          QG2   ILE  103 - HZ    PHE   72  12.47 +/- 2.51   1.704% *  0.0252% (0.31  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HZ    PHE   72  14.69 +/- 3.23   1.272% *  0.0204% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  14.16 +/- 2.50   1.101% *  0.0126% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 0.821, support = 3.07, residual support = 23.3:
        T HB3   LEU   63 - HZ    PHE   72   4.32 +/- 2.06  40.819% * 69.2665% (0.95 10.00   3.20  16.63) =  78.105%  kept
        T QG1   VAL   70 - HZ    PHE   72   5.02 +/- 0.89  27.885% * 27.4816% (0.38 10.00   2.65  48.31) =  21.169%  kept
          QG1   VAL   18 - HZ    PHE   72   8.89 +/- 6.90  24.500% *  0.6715% (0.49  1.00   0.38   1.32) =   0.454%  kept
          QD1   LEU   71 - HZ    PHE   72   8.91 +/- 0.79   3.886% *  2.5047% (0.20  1.00   3.46  20.08) =   0.269%  kept
          QG1   VAL  108 - HZ    PHE   72  15.06 +/- 2.23   0.885% *  0.0612% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HZ    PHE   72  11.37 +/- 2.53   2.025% *  0.0145% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.854, support = 2.59, residual support = 23.2:
          QD2   LEU   63 - HZ    PHE   72   4.42 +/- 1.77  39.463% * 28.6258% (0.69   2.84  16.63) =  42.716%  kept
          QD1   LEU   63 - HZ    PHE   72   5.04 +/- 1.78  27.528% * 32.6206% (0.98   2.27  16.63) =  33.956%  kept
          QD1   LEU   73 - HZ    PHE   72   8.30 +/- 1.40  16.153% * 37.9746% (0.98   2.64  44.90) =  23.194%  kept
          QG2   VAL   41 - HZ    PHE   72   9.03 +/- 1.34   6.303% *  0.2324% (0.18   0.09   0.02) =   0.055%
          QD2   LEU  115 - HZ    PHE   72   9.82 +/- 1.86   6.179% *  0.2132% (0.73   0.02   0.02) =   0.050%
          QD2   LEU   80 - HZ    PHE   72  13.29 +/- 2.68   2.425% *  0.2017% (0.69   0.02   0.02) =   0.018%
          QD1   LEU  104 - HZ    PHE   72  12.54 +/- 2.79   1.949% *  0.1317% (0.45   0.02   0.02) =   0.010%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.64, residual support = 48.3:
        T QG2   VAL   70 - HZ    PHE   72   4.44 +/- 0.39 100.000% *100.0000% (0.90 10.00   4.64  48.31) = 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  74.38) = 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  99.525% * 99.9913% (0.98  10.0   1.00  74.38) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.16 +/- 3.19   0.475% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.01, residual support = 74.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  98.964% * 99.8601% (0.98  10.0 10.00   1.01  74.38) =  99.999%  kept
          QD    PHE   97 - HE3   TRP   87  16.14 +/- 4.18   0.760% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HE3   TRP   87  20.70 +/- 3.59   0.277% *  0.0382% (0.38   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 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  97.676% * 99.5607% (0.99  10.0   1.00  74.38) =  99.996%  kept
          HD21  ASN   28 - HH2   TRP   87  20.32 +/- 7.60   1.376% *  0.1969% (0.98   1.0   0.02   0.02) =   0.003%
          QE    PHE   60 - HH2   TRP   87  16.59 +/- 2.89   0.461% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  21.27 +/- 3.47   0.269% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.07 +/- 3.53   0.219% *  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  92.905% * 99.7330% (0.90  10.0   1.00  74.38) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  24.11 +/- 5.19   0.160% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   6.53 +/- 0.75   6.130% *  0.0027% (0.01   1.0   0.02  20.17) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  20.79 +/- 3.69   0.229% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.51 +/- 1.52   0.368% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.07 +/- 3.53   0.208% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.785, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HZ2   TRP   87  16.11 +/- 8.19  32.397% * 81.3674% (0.87   0.02   0.02) =  88.812%  kept
          HZ    PHE   72 - HZ2   TRP   87  17.76 +/- 3.80  18.052% * 14.4733% (0.15   0.02   0.02) =   8.802%  kept
          HZ2   TRP   27 - HN    ILE   56  21.26 +/- 3.43  13.671% *  3.5312% (0.04   0.02   0.02) =   1.626%  kept
          HZ    PHE   72 - HN    ILE   56  13.72 +/- 1.89  35.880% *  0.6281% (0.01   0.02   0.02) =   0.759%  kept
    Distance limit 4.76 A violated in 16 structures by 5.66 A, eliminated.
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.734, support = 0.02, residual support = 0.02:
          HD1   TRP   49 - HZ3   TRP   87  19.98 +/- 2.84  14.769% * 22.0041% (0.99   0.02   0.02) =  24.310%  kept
          QE    PHE   95 - HZ3   TRP   87  15.39 +/- 2.76  27.437% * 10.8062% (0.49   0.02   0.02) =  22.179%  kept
          HN    LEU   67 - HZ3   TRP   87  23.13 +/- 5.25  11.689% * 19.9101% (0.90   0.02   0.02) =  17.410%  kept
          HD2   HIS   22 - HZ3   TRP   87  24.72 +/- 4.60   9.036% * 20.4937% (0.92   0.02   0.02) =  13.853%  kept
          HN    THR   23 - HZ3   TRP   87  23.36 +/- 5.15  10.854% * 11.6802% (0.53   0.02   0.02) =   9.484%  kept
          HD21  ASN   35 - HZ3   TRP   87  26.55 +/- 7.57   9.792% * 11.6802% (0.53   0.02   0.02) =   8.556%  kept
          QD    PHE   55 - HZ3   TRP   87  19.65 +/- 4.15  16.423% *  3.4254% (0.15   0.02   0.02) =   4.208%  kept
    Distance limit 4.15 A violated in 19 structures by 8.51 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 +/- 0.30  96.614% * 97.7118% (0.38   3.72  22.70) =  99.973%  kept
          HN    GLU-  29 - HD1   TRP   87  23.11 +/- 6.77   1.274% *  1.1203% (0.80   0.02   0.02) =   0.015%
          HN    VAL   18 - HD1   TRP   87  24.86 +/- 7.49   0.809% *  0.7361% (0.53   0.02   0.02) =   0.006%
          HN    GLN   30 - HD1   TRP   87  22.51 +/- 6.19   1.304% *  0.4318% (0.31   0.02   0.02) =   0.006%
    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 = 0.02, residual support = 0.02:
          QD1   LEU   31 - HH2   TRP   87  15.77 +/- 6.64 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 5.43 A violated in 16 structures by 10.43 A, eliminated.
    Peak unassigned.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 0.02:
        T QD2   LEU  115 - HH2   TRP   87  17.00 +/- 3.46   8.594% * 31.4935% (0.18 10.00   0.02   0.02) =  24.296%  kept
          QG2   VAL   41 - HH2   TRP   87  13.45 +/- 5.64  15.366% * 13.0582% (0.73  1.00   0.02   0.02) =  18.012%  kept
          QD2   LEU   98 - HH2   TRP   87  13.09 +/- 6.89  19.675% *  9.4612% (0.53  1.00   0.02   0.02) =  16.710%  kept
          QD1   LEU   80 - HH2   TRP   87  10.57 +/- 1.60  19.631% *  9.4612% (0.53  1.00   0.02   0.02) =  16.672%  kept
          QD2   LEU   63 - HH2   TRP   87  17.71 +/- 3.98   6.273% * 17.6268% (0.98  1.00   0.02   0.02) =   9.926%  kept
          QD1   LEU   73 - HH2   TRP   87  15.45 +/- 4.09   7.828% *  8.0623% (0.45  1.00   0.02   0.02) =   5.665%  kept
          QD1   LEU   63 - HH2   TRP   87  17.06 +/- 3.56   6.495% *  8.0623% (0.45  1.00   0.02   0.02) =   4.700%  kept
          QD2   LEU   80 - HH2   TRP   87  11.22 +/- 2.17  16.137% *  2.7747% (0.15  1.00   0.02   0.02) =   4.019%  kept
    Distance limit 5.26 A violated in 15 structures by 2.77 A, eliminated.
    Peak unassigned.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.645, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - HH2   TRP   87  13.15 +/- 6.80  32.302% * 30.8031% (0.76   0.02   0.02) =  46.479%  kept
          QD2   LEU  104 - HH2   TRP   87  15.99 +/- 6.39  17.931% * 29.2682% (0.73   0.02   0.02) =  24.515%  kept
          QD1   ILE   19 - HH2   TRP   87  19.68 +/- 5.86  12.516% * 22.8195% (0.57   0.02   0.02) =  13.342%  kept
          QG2   THR   46 - HH2   TRP   87  14.32 +/- 1.66  24.193% * 10.0504% (0.25   0.02   0.02) =  11.358%  kept
          QG2   VAL   18 - HH2   TRP   87  19.88 +/- 5.98  13.058% *  7.0588% (0.18   0.02   0.02) =   4.306%  kept
    Distance limit 4.78 A violated in 16 structures by 5.22 A, eliminated.
    Peak unassigned.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.52, residual support = 74.4:
        T HA    TRP   87 - HE3   TRP   87   3.52 +/- 0.17  98.097% * 99.8092% (0.80 10.00   3.52  74.38) =  99.999%  kept
          HA    PHE   59 - HE3   TRP   87  22.12 +/- 2.97   0.518% *  0.1203% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HE3   TRP   87  22.74 +/- 3.46   0.490% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  21.40 +/- 6.02   0.895% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.21, residual support = 74.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.39 +/- 0.04  99.724% * 99.0099% (1.00  10.0 10.00   3.21  74.38) =  99.997%  kept
        T HB2   PHE   60 - HE3   TRP   87  18.70 +/- 2.53   0.276% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.003%
    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 = 0.915, support = 0.02, residual support = 0.02:
        T QD1   ILE  103 - HE3   TRP   87  12.86 +/- 6.24  29.119% * 76.5748% (0.95 10.00   0.02   0.02) =  90.054%  kept
          QG2   ILE  119 - HE3   TRP   87  20.79 +/- 3.14   8.517% *  8.0949% (1.00  1.00   0.02   0.02) =   2.785%  kept
          QD2   LEU   71 - HE3   TRP   87  18.76 +/- 4.57   9.307% *  7.0218% (0.87  1.00   0.02   0.02) =   2.639%  kept
          QG2   ILE  103 - HE3   TRP   87  13.71 +/- 5.25  18.974% *  2.2507% (0.28  1.00   0.02   0.02) =   1.725%  kept
          HG3   LYS+  74 - HE3   TRP   87  19.69 +/- 3.06  11.397% *  3.0381% (0.38  1.00   0.02   0.02) =   1.398%  kept
          QD1   LEU   67 - HE3   TRP   87  18.41 +/- 4.44  13.383% *  1.6020% (0.20  1.00   0.02   0.02) =   0.866%  kept
          QD2   LEU   40 - HE3   TRP   87  17.80 +/- 4.38   9.303% *  1.4177% (0.18  1.00   0.02   0.02) =   0.533%  kept
    Distance limit 5.35 A violated in 15 structures by 4.94 A, eliminated.
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.27, residual support = 74.4:
          HA    TRP   87 - HD1   TRP   87   4.17 +/- 0.21  97.044% * 99.1118% (0.80   4.27  74.38) =  99.991%  kept
          HA    PHE   59 - HD1   TRP   87  21.06 +/- 3.12   0.983% *  0.5601% (0.97   0.02   0.02) =   0.006%
          HA    ASP- 113 - HD1   TRP   87  22.62 +/- 3.03   0.722% *  0.2386% (0.41   0.02   0.02) =   0.002%
          HA    LYS+  99 - HD1   TRP   87  21.63 +/- 4.64   1.251% *  0.0895% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.27 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 = 4.29, residual support = 17.1:
        T HA    VAL   83 - HD1   TRP   87   3.64 +/- 0.36  95.736% * 95.9068% (0.41 10.00   4.30  17.07) =  99.963%  kept
        T HA    VAL   24 - HD1   TRP   87  19.06 +/- 6.61   2.180% *  0.8755% (0.38 10.00   0.02   0.02) =   0.021%
        T HA    LYS+  38 - HD1   TRP   87  25.49 +/- 4.40   0.410% *  2.0922% (0.90 10.00   0.02   0.02) =   0.009%
        T HA    GLU- 100 - HD1   TRP   87  23.86 +/- 5.03   0.536% *  1.0459% (0.45 10.00   0.02   0.02) =   0.006%
          HD2   PRO   58 - HD1   TRP   87  20.44 +/- 4.43   1.139% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.94 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 +/- 0.02  98.505% * 99.0099% (1.00  10.0  1.00   3.94  74.38) =  99.985%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.11 +/- 2.61   1.495% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.015%
    Distance limit 5.18 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   2.94 +/- 0.48  93.547% * 98.2033% (1.00 10.00   3.60  22.70) =  99.991%  kept
        T HB2   ASN   28 - HD1   TRP   87  22.63 +/- 7.47   0.519% *  0.8221% (0.84 10.00   0.02   0.02) =   0.005%
          QE    LYS+  65 - HD1   TRP   87  20.67 +/- 5.09   2.262% *  0.0931% (0.95  1.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HD1   TRP   87  27.21 +/- 5.42   0.167% *  0.7881% (0.80 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD1   TRP   87  11.57 +/- 2.27   3.274% *  0.0219% (0.22  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD1   TRP   87  24.61 +/- 5.00   0.231% *  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 +/- 0.06  96.629% * 99.2543% (0.25  10.0   3.81  74.38) =  99.993%  kept
          HG3   MET   96 - HD1   TRP   87  13.50 +/- 4.31   2.570% *  0.2254% (0.57   1.0   0.02   0.02) =   0.006%
          HG2   GLU-  36 - HD1   TRP   87  29.62 +/- 4.77   0.128% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  22.22 +/- 3.77   0.472% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  23.69 +/- 2.90   0.202% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 3.68, residual support = 17.1:
        T QG2   VAL   83 - HD1   TRP   87   2.43 +/- 0.57  67.878% * 87.6947% (0.90 10.00   3.66  17.07) =  94.267%  kept
          QD1   ILE   89 - HD1   TRP   87   4.00 +/- 1.12  29.667% * 12.1995% (0.65  1.00   3.86  17.50) =   5.732%  kept
          QD2   LEU   31 - HD1   TRP   87  16.88 +/- 5.42   0.482% *  0.0925% (0.95  1.00   0.02   0.02) =   0.001%
          QG2   VAL   43 - HD1   TRP   87   9.64 +/- 3.15   1.973% *  0.0132% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.921, support = 1.1, residual support = 17.5:
        T QG2   ILE   89 - HD1   TRP   87   4.32 +/- 0.39  45.860% * 90.1039% (0.95 10.00   1.05  17.50) =  88.798%  kept
          QG1   VAL   83 - HD1   TRP   87   4.07 +/- 0.87  52.938% *  9.8459% (0.73  1.00   1.50  17.07) =  11.201%  kept
          QD1   LEU  104 - HD1   TRP   87  18.64 +/- 4.33   1.202% *  0.0503% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 5.33 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 = 0.533, support = 0.307, residual support = 0.02:
          QD1   LEU   80 - HZ2   TRP   87   8.57 +/- 1.56  10.390% * 61.7067% (0.53   0.36   0.02) =  69.718%  kept
          QG2   VAL   41 - HZ2   TRP   87  13.08 +/- 5.02   8.535% * 17.5673% (0.73   0.08   0.02) =  16.305%  kept
          QD2   LEU  115 - HN    ILE   56   7.48 +/- 1.97  20.737% *  2.0612% (0.01   0.84   0.02) =   4.648%  kept
          QD2   LEU   98 - HZ2   TRP   87  12.95 +/- 6.51  11.738% *  3.3888% (0.53   0.02   0.02) =   4.326%  kept
          QD2   LEU   63 - HZ2   TRP   87  17.08 +/- 3.81   2.199% *  6.3136% (0.98   0.02   0.02) =   1.509%  kept
          QD1   LEU   73 - HZ2   TRP   87  14.41 +/- 3.83   3.302% *  2.8878% (0.45   0.02   0.02) =   1.037%  kept
          QD2   LEU   80 - HZ2   TRP   87   9.24 +/- 2.08   9.365% *  0.9938% (0.15   0.02   0.02) =   1.012%  kept
          QD1   LEU   63 - HZ2   TRP   87  16.47 +/- 3.45   2.147% *  2.8878% (0.45   0.02   0.02) =   0.674%  kept
          QD2   LEU  115 - HZ2   TRP   87  16.68 +/- 3.23   2.303% *  1.1280% (0.18   0.02   0.02) =   0.283%  kept
          QD2   LEU   63 - HN    ILE   56  11.29 +/- 1.50   5.394% *  0.2740% (0.04   0.02   0.02) =   0.161%  kept
          QD1   LEU   73 - HN    ILE   56  14.41 +/- 4.88  10.201% *  0.1253% (0.02   0.02   0.02) =   0.139%  kept
          QD1   LEU   63 - HN    ILE   56  10.15 +/- 1.82   7.687% *  0.1253% (0.02   0.02   0.02) =   0.105%  kept
          QG2   VAL   41 - HN    ILE   56  17.22 +/- 1.48   1.284% *  0.2030% (0.03   0.02   0.02) =   0.028%
          QD1   LEU   80 - HN    ILE   56  16.84 +/- 2.72   1.633% *  0.1471% (0.02   0.02   0.02) =   0.026%
          QD2   LEU   98 - HN    ILE   56  18.22 +/- 1.94   1.382% *  0.1471% (0.02   0.02   0.02) =   0.022%
          QD2   LEU   80 - HN    ILE   56  16.68 +/- 2.18   1.702% *  0.0431% (0.01   0.02   0.02) =   0.008%
    Distance limit 5.50 A violated in 2 structures by 0.44 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.391, support = 0.02, residual support = 0.02:
          QG2   VAL   43 - HZ2   TRP   87   9.68 +/- 4.38  41.145% * 71.3019% (0.45   0.02   0.02) =  81.715%  kept
          QD1   LEU   31 - HZ2   TRP   87  15.00 +/- 6.78  23.226% * 24.5388% (0.15   0.02   0.02) =  15.875%  kept
          QG2   VAL   43 - HN    ILE   56  13.65 +/- 1.72  23.946% *  3.0944% (0.02   0.02   0.02) =   2.064%  kept
          QD1   LEU   31 - HN    ILE   56  19.17 +/- 2.61  11.683% *  1.0649% (0.01   0.02   0.02) =   0.347%  kept
    Distance limit 5.23 A violated in 14 structures by 3.39 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 2.73, residual support = 54.7:
          HA    TRP   49 - HE3   TRP   49   4.36 +/- 0.50  48.406% * 48.6568% (0.69   3.19  85.66) =  61.201%  kept
          HA    CYS   50 - HE3   TRP   49   5.52 +/- 1.39  33.700% * 40.8014% (0.87   2.12   5.13) =  35.728%  kept
          HA    ALA   47 - HE3   TRP   49   7.79 +/- 1.20  12.158% *  9.5792% (0.76   0.56  15.99) =   3.026%  kept
          HA1   GLY  109 - HE3   TRP   49  17.30 +/- 4.84   2.873% *  0.3711% (0.84   0.02   0.02) =   0.028%
          HA    VAL  108 - HE3   TRP   49  16.92 +/- 3.86   1.667% *  0.2874% (0.65   0.02   0.02) =   0.012%
          HA    CYS   21 - HE3   TRP   49  23.81 +/- 5.55   0.666% *  0.2162% (0.49   0.02   0.02) =   0.004%
          HA    LYS+ 102 - HE3   TRP   49  28.41 +/- 4.82   0.531% *  0.0879% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 3.56, residual support = 85.6:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  83.397% * 98.2245% (1.00   3.56  85.66) =  99.928%  kept
          HN    LEU   67 - HE3   TRP   49  18.66 +/- 6.31   7.284% *  0.4423% (0.80   0.02   0.02) =   0.039%
          QE    PHE   95 - HE3   TRP   49  13.30 +/- 1.42   5.509% *  0.2073% (0.38   0.02   0.02) =   0.014%
          HD2   HIS   22 - HE3   TRP   49  24.35 +/- 6.79   1.877% *  0.5414% (0.98   0.02   0.02) =   0.012%
          HN    THR   23 - HE3   TRP   49  23.82 +/- 5.72   1.414% *  0.2271% (0.41   0.02   0.02) =   0.004%
          HD21  ASN   35 - HE3   TRP   49  31.89 +/- 5.67   0.519% *  0.3573% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 0 structures by 0.46 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.829, support = 0.02, residual support = 40.7:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  43.062% * 16.7579% (0.84   0.02  85.66) =  47.483%  kept
          HN    LEU   67 - HH2   TRP   49  17.19 +/- 7.72  22.819% * 20.0629% (1.00   0.02   0.02) =  30.124%  kept
          QE    PHE   95 - HH2   TRP   49  11.84 +/- 1.77   9.900% * 15.3326% (0.76   0.02   0.02) =   9.988%  kept
          QD    PHE   55 - HH2   TRP   49  10.66 +/- 2.89  18.597% *  6.8436% (0.34   0.02   0.02) =   8.374%  kept
          HD2   HIS   22 - HH2   TRP   49  23.96 +/- 6.62   1.774% * 13.7814% (0.69   0.02   0.02) =   1.608%  kept
          HN    THR   23 - HH2   TRP   49  23.25 +/- 5.74   1.463% * 16.0651% (0.80   0.02   0.02) =   1.547%  kept
          HE3   TRP   27 - HH2   TRP   49  21.94 +/- 5.09   1.659% *  5.5782% (0.28   0.02   0.02) =   0.609%  kept
          HD21  ASN   35 - HH2   TRP   49  29.90 +/- 6.69   0.726% *  5.5782% (0.28   0.02   0.02) =   0.267%  kept
    Distance limit 4.52 A violated in 15 structures by 1.58 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.74, support = 4.16, residual support = 56.8:
          HA    TRP   49 - HD1   TRP   49   4.05 +/- 0.57  42.763% * 44.9552% (0.69   5.02  85.66) =  62.113%  kept
          HA    CYS   50 - HD1   TRP   49   5.85 +/- 0.91  17.081% * 41.8554% (0.87   3.70   5.13) =  23.100%  kept
          HA    ALA   47 - HD1   TRP   49   4.67 +/- 1.11  36.204% * 12.6249% (0.76   1.27  15.99) =  14.768%  kept
          HA1   GLY  109 - HD1   TRP   49  16.76 +/- 3.69   1.196% *  0.2176% (0.84   0.02   0.02) =   0.008%
          HA    VAL  108 - HD1   TRP   49  15.68 +/- 3.24   1.487% *  0.1685% (0.65   0.02   0.02) =   0.008%
          HA    CYS   21 - HD1   TRP   49  22.27 +/- 5.73   0.572% *  0.1268% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD1   TRP   49  26.39 +/- 4.31   0.698% *  0.0516% (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 = 0.728, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - HZ3   TRP   87  20.75 +/- 5.32  32.387% * 68.8547% (0.99   0.02   0.02) =  51.432%  kept
          QD1   LEU   98 - HZ3   TRP   87  13.80 +/- 6.43  67.613% * 31.1453% (0.45   0.02   0.02) =  48.568%  kept
    Distance limit 5.50 A violated in 17 structures by 7.45 A, eliminated.
    Peak unassigned.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.786, support = 0.02, residual support = 0.02:
          QD1   ILE  103 - HZ3   TRP   87  12.32 +/- 7.07  26.755% * 11.2532% (0.65   0.02   0.02) =  24.435%  kept
          QG2   ILE  103 - HZ3   TRP   87  13.22 +/- 6.09  16.013% * 16.4554% (0.95   0.02   0.02) =  21.384%  kept
          QD1   LEU   67 - HZ3   TRP   87  18.24 +/- 5.01  11.552% * 15.0893% (0.87   0.02   0.02) =  14.146%  kept
          HG3   LYS+  74 - HZ3   TRP   87  20.09 +/- 3.50   9.087% * 17.2415% (0.99   0.02   0.02) =  12.715%  kept
          QD2   LEU   40 - HZ3   TRP   87  17.21 +/- 5.01   7.974% * 14.5299% (0.84   0.02   0.02) =   9.403%  kept
          QD2   LEU   71 - HZ3   TRP   87  18.34 +/- 5.05   8.009% * 13.2941% (0.76   0.02   0.02) =   8.641%  kept
          HB    VAL   75 - HZ3   TRP   87  15.46 +/- 3.83  13.415% *  4.3376% (0.25   0.02   0.02) =   4.722%  kept
          QG2   ILE  119 - HZ3   TRP   87  20.75 +/- 3.60   7.195% *  7.7989% (0.45   0.02   0.02) =   4.554%  kept
    Distance limit 5.50 A violated in 15 structures by 4.26 A, eliminated.
    Peak unassigned.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02:
          HG2   PRO   93 - HZ3   TRP   87  15.63 +/- 3.02  17.611% * 14.0274% (0.95   0.02   0.02) =  22.693%  kept
          HG12  ILE  103 - HZ3   TRP   87  15.81 +/- 7.99  19.689% * 11.3326% (0.76   0.02   0.02) =  20.497%  kept
          HB    VAL   41 - HZ3   TRP   87  17.52 +/- 6.46  11.434% * 13.2989% (0.90   0.02   0.02) =  13.968%  kept
          QB    LYS+ 102 - HZ3   TRP   87  17.41 +/- 6.98  11.021% * 11.3326% (0.76   0.02   0.02) =  11.473%  kept
          QB    LYS+  66 - HZ3   TRP   87  22.32 +/- 4.59   8.292% * 14.6976% (0.99   0.02   0.02) =  11.196%  kept
          QB    LYS+  65 - HZ3   TRP   87  21.67 +/- 4.21   6.839% *  9.5928% (0.65   0.02   0.02) =   6.026%  kept
          HB2   LEU   71 - HZ3   TRP   87  21.52 +/- 6.60   6.567% *  8.9941% (0.61   0.02   0.02) =   5.426%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.93 +/- 4.30   8.160% *  7.2180% (0.49   0.02   0.02) =   5.411%  kept
          HB3   GLN   17 - HZ3   TRP   87  27.44 +/- 7.92   7.896% *  2.2880% (0.15   0.02   0.02) =   1.660%  kept
          HG    LEU  123 - HZ3   TRP   87  27.58 +/- 4.64   2.490% *  7.2180% (0.49   0.02   0.02) =   1.651%  kept
    Distance limit 5.50 A violated in 15 structures by 4.65 A, eliminated.
    Peak unassigned.
 
    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   2.83 +/- 0.61 100.000% *100.0000% (0.61   3.86  73.48) = 100.000%  kept
    Distance limit 5.07 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   2.61 +/- 0.48 100.000% *100.0000% (0.98 10.00   3.44  73.48) = 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 = 0.894, support = 1.99, residual support = 4.36:
          HA    ASP-  44 - QD    PHE   95   3.70 +/- 1.75  64.130% * 93.1915% (0.90   2.00   4.37) =  99.659%  kept
          HA    ILE  103 - QD    PHE   95  11.15 +/- 0.42   6.936% *  0.7546% (0.73   0.02   0.02) =   0.087%
          HB    THR   77 - QD    PHE   95  10.48 +/- 2.04   5.094% *  0.8679% (0.84   0.02   0.02) =   0.074%
          HA    SER   85 - QD    PHE   95  16.44 +/- 1.66   3.583% *  0.8679% (0.84   0.02   0.02) =   0.052%
          HA    LEU  104 - QD    PHE   95  11.68 +/- 1.02   6.862% *  0.2889% (0.28   0.02   0.02) =   0.033%
          HA    ASP-  86 - QD    PHE   95  16.93 +/- 1.92   2.140% *  0.7546% (0.73   0.02   0.02) =   0.027%
          HA1   GLY   51 - QD    PHE   95  14.44 +/- 1.17   4.216% *  0.2056% (0.20   0.02   0.02) =   0.014%
          HA    THR   39 - QD    PHE   95  15.17 +/- 1.09   2.906% *  0.2889% (0.28   0.02   0.02) =   0.014%
          HA    GLU-  14 - QD    PHE   95  20.82 +/- 2.66   1.137% *  0.6722% (0.65   0.02   0.02) =   0.013%
          HA    GLU-  79 - QD    PHE   95  14.90 +/- 1.44   1.962% *  0.3545% (0.34   0.02   0.02) =   0.012%
          HA    ALA   12 - QD    PHE   95  23.71 +/- 3.28   0.575% *  0.7941% (0.76   0.02   0.02) =   0.008%
          HA    MET   11 - QD    PHE   95  24.88 +/- 4.03   0.459% *  0.9592% (0.92   0.02   0.02) =   0.007%
    Distance limit 5.05 A violated in 2 structures by 0.34 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   2.40 +/- 0.12 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.48) = 100.000%  kept
    Distance limit 4.57 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   2.58 +/- 0.19  96.768% * 96.3284% (0.99  10.0 10.00   3.31  73.48) =  99.885%  kept
          HG2   GLN  116 - QD    PHE   95   8.77 +/- 1.02   2.950% *  3.6446% (1.00   1.0  1.00   0.75   0.02) =   0.115%  kept
          HG2   GLU-  25 - QD    PHE   95  20.32 +/- 2.71   0.282% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.919, support = 3.5, residual support = 41.5:
        T HB    VAL  107 - QD    PHE   95   2.57 +/- 0.75  71.329% * 94.7418% (0.92 10.00   3.53  41.84) =  99.021%  kept
          QE    LYS+ 112 - QD    PHE   95   7.11 +/- 2.36  19.422% *  2.2389% (0.53  1.00   0.83   4.03) =   0.637%  kept
          HB3   PHE   45 - QD    PHE   95   6.89 +/- 1.00   8.079% *  2.8796% (0.53  1.00   1.07   1.89) =   0.341%  kept
          QG    GLU-  79 - QD    PHE   95  13.70 +/- 1.64   0.801% *  0.0540% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  17.87 +/- 1.62   0.369% *  0.0857% (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 = 0.709, support = 0.717, residual support = 2.95:
          HB3   ASP-  44 - QD    PHE   95   4.30 +/- 2.41  31.201% * 23.8192% (0.76   0.75   4.37) =  52.415%  kept
          HB2   LEU   63 - QD    PHE   95   7.31 +/- 2.61  13.814% * 24.0630% (0.65   0.90   2.47) =  23.445%  kept
          HB3   PRO   93 - QD    PHE   95   5.33 +/- 0.94  12.797% *  9.8561% (1.00   0.24   0.02) =   8.896%  kept
          HB    VAL   42 - QD    PHE   95   7.47 +/- 1.31   8.941% *  9.6198% (0.31   0.75   0.93) =   6.066%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.98 +/- 1.12   4.833% * 16.6888% (0.61   0.66   0.02) =   5.689%  kept
          HB3   LEU   73 - QD    PHE   95   9.64 +/- 3.49   5.939% *  5.6090% (0.38   0.36   0.41) =   2.349%  kept
          HG    LEU   98 - QD    PHE   95  11.54 +/- 1.32   1.330% *  4.9492% (0.97   0.12   0.02) =   0.464%  kept
          HG2   LYS+ 111 - QD    PHE   95   8.24 +/- 1.46  11.526% *  0.2565% (0.31   0.02   0.11) =   0.209%  kept
          HG3   LYS+  65 - QD    PHE   95  12.24 +/- 2.05   1.442% *  1.8610% (0.31   0.15   0.02) =   0.189%  kept
          HB2   LYS+ 112 - QD    PHE   95   8.25 +/- 1.14   3.882% *  0.4046% (0.49   0.02   4.03) =   0.111%  kept
          QB    ALA   84 - QD    PHE   95  11.86 +/- 1.41   1.242% *  0.8293% (1.00   0.02   0.02) =   0.073%
          QB    ALA  124 - QD    PHE   95  14.64 +/- 2.14   0.733% *  0.7454% (0.90   0.02   0.02) =   0.039%
          HB3   LEU   80 - QD    PHE   95  14.44 +/- 3.35   0.909% *  0.4373% (0.53   0.02   0.02) =   0.028%
          HB2   LEU   31 - QD    PHE   95  15.85 +/- 2.33   0.562% *  0.3119% (0.38   0.02   0.02) =   0.012%
          HG3   LYS+ 102 - QD    PHE   95  16.10 +/- 1.08   0.449% *  0.3417% (0.41   0.02   0.02) =   0.011%
          HG3   LYS+  33 - QD    PHE   95  17.31 +/- 1.42   0.400% *  0.2072% (0.25   0.02   0.02) =   0.006%
    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 = 3.78, residual support = 41.8:
        T QG2   VAL  107 - QD    PHE   95   2.47 +/- 0.65  90.755% * 98.8616% (0.99 10.00   3.78  41.84) =  99.970%  kept
          HG13  ILE  103 - QD    PHE   95  10.68 +/- 1.35   2.196% *  1.0033% (0.80  1.00   0.25   0.02) =   0.025%
          HG2   LYS+ 121 - QD    PHE   95  10.97 +/- 2.59   2.880% *  0.0865% (0.87  1.00   0.02   0.02) =   0.003%
          QB    ALA   20 - QD    PHE   95  13.10 +/- 2.54   4.169% *  0.0486% (0.49  1.00   0.02   0.02) =   0.002%
    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 = 0.968, support = 1.5, residual support = 6.66:
        T QD2   LEU  115 - QD    PHE   95   4.46 +/- 1.10  30.363% * 80.2392% (0.99 10.00   1.38   7.60) =  82.786%  kept
          QD1   LEU   63 - QD    PHE   95   5.78 +/- 3.23  31.430% * 12.7482% (0.90  1.00   2.42   2.47) =  13.615%  kept
          QD1   LEU   73 - QD    PHE   95   8.76 +/- 3.19  17.469% *  4.1492% (0.90  1.00   0.79   0.41) =   2.463%  kept
          QD2   LEU   63 - QD    PHE   95   7.03 +/- 2.80  12.569% *  2.6058% (0.31  1.00   1.44   2.47) =   1.113%  kept
          QD2   LEU   80 - QD    PHE   95  12.65 +/- 2.82   2.315% *  0.1152% (0.98  1.00   0.02   0.02) =   0.009%
          QD1   LEU  104 - QD    PHE   95  10.07 +/- 1.06   2.658% *  0.0982% (0.84  1.00   0.02   0.02) =   0.009%
          QG1   VAL   83 - QD    PHE   95  11.69 +/- 2.80   3.196% *  0.0441% (0.38  1.00   0.02   0.02) =   0.005%
    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 = 0.643, support = 0.782, residual support = 0.906:
        T QG1   VAL   42 - QD    PHE   95   4.56 +/- 1.23  49.387% * 67.3328% (0.65 10.00   0.75   0.93) =  88.840%  kept
          QB    ALA   64 - QD    PHE   95   6.78 +/- 1.61  22.808% * 11.3204% (0.53  1.00   1.55   1.13) =   6.898%  kept
        T QB    ALA   47 - QD    PHE   95   9.26 +/- 0.87   7.421% * 21.2612% (0.76 10.00   0.20   0.02) =   4.215%  kept
          HG2   LYS+ 112 - QD    PHE   95   7.99 +/- 1.82  20.384% *  0.0857% (0.31  1.00   0.02   4.03) =   0.047%
    Distance limit 4.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.695, support = 4.63, residual support = 13.4:
          HA    ILE  119 - HD2   HIS  122   2.53 +/- 0.79  75.038% * 55.5846% (0.73   4.62  15.36) =  80.702%  kept
          HA    THR  118 - HD2   HIS  122   4.76 +/- 0.37  22.832% * 43.6708% (0.57   4.66   5.08) =  19.292%  kept
          HA    VAL   75 - HD2   HIS  122  16.37 +/- 2.14   0.568% *  0.1875% (0.57   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD2   HIS  122  12.30 +/- 1.86   0.806% *  0.1022% (0.31   0.02   0.02) =   0.002%
          HA    ALA   84 - HD2   HIS  122  23.52 +/- 3.16   0.234% *  0.1485% (0.45   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD2   HIS  122  17.37 +/- 2.15   0.373% *  0.0921% (0.28   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  23.67 +/- 3.10   0.149% *  0.2142% (0.65   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 = 3.99, residual support = 76.6:
      O T HB2   HIS  122 - HD2   HIS  122   3.83 +/- 0.35  93.545% * 99.7225% (0.49  10.0 10.00   3.99  76.58) =  99.992%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.24 +/- 1.09   3.321% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HB2   HIS   22 - HD2   HIS  122  21.20 +/- 5.47   1.648% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  16.85 +/- 2.66   1.487% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.95, support = 4.41, residual support = 75.4:
      O T HB3   HIS  122 - HD2   HIS  122   3.11 +/- 0.34  73.099% * 86.1373% (0.97  10.0 10.00   4.41  76.58) =  94.758%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.80 +/- 1.19  25.250% * 13.7923% (0.69   1.0  1.00   4.50  53.63) =   5.241%  kept
          HG2   GLN   30 - HD2   HIS  122  17.09 +/- 5.13   1.414% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  22.46 +/- 2.52   0.237% *  0.0505% (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 = 0.704, support = 0.0761, residual support = 0.02:
          HB3   GLN   30 - HD2   HIS  122  16.18 +/- 5.25   8.310% * 41.1797% (0.92   0.12   0.02) =  39.577%  kept
          HB3   ASP- 105 - HD2   HIS  122   9.83 +/- 4.59  19.263% * 10.9953% (0.34   0.09   0.02) =  24.497%  kept
          HB    ILE   56 - HD2   HIS  122  12.99 +/- 1.92   9.380% *  7.2688% (0.98   0.02   0.02) =   7.886%  kept
          HB3   LYS+  38 - HD2   HIS  122  17.62 +/- 6.39   7.940% *  7.3992% (1.00   0.02   0.02) =   6.795%  kept
          HB3   PRO   58 - HD2   HIS  122  11.74 +/- 2.23  12.781% *  4.4978% (0.61   0.02   0.02) =   6.649%  kept
          QB    LYS+ 106 - HD2   HIS  122  12.54 +/- 3.57   8.491% *  4.7972% (0.65   0.02   0.02) =   4.711%  kept
          HG3   PRO   68 - HD2   HIS  122  12.30 +/- 4.68  16.146% *  1.8491% (0.25   0.02   0.02) =   3.453%  kept
          QB    LYS+  33 - HD2   HIS  122  16.45 +/- 5.12   5.641% *  3.3247% (0.45   0.02   0.02) =   2.169%  kept
          HB    ILE  103 - HD2   HIS  122  15.43 +/- 5.08   5.918% *  2.0618% (0.28   0.02   0.02) =   1.411%  kept
          HB2   MET   92 - HD2   HIS  122  19.69 +/- 1.63   1.562% *  5.9380% (0.80   0.02   0.02) =   1.072%  kept
          QB    LYS+  81 - HD2   HIS  122  23.39 +/- 4.24   1.693% *  4.4978% (0.61   0.02   0.02) =   0.881%  kept
          HG2   ARG+  54 - HD2   HIS  122  19.27 +/- 2.07   2.145% *  2.2888% (0.31   0.02   0.02) =   0.568%  kept
          HB3   GLN   90 - HD2   HIS  122  25.72 +/- 2.10   0.732% *  3.9016% (0.53   0.02   0.02) =   0.330%  kept
    Distance limit 5.19 A violated in 9 structures by 1.43 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 = 0.879, support = 5.84, residual support = 52.0:
          HB2   LYS+ 121 - HD2   HIS  122   3.52 +/- 0.68  68.890% * 67.7907% (0.92   5.97  53.63) =  88.848%  kept
          HB2   LEU  123 - HD2   HIS  122   6.39 +/- 0.91  18.900% * 30.9156% (0.53   4.78  38.88) =  11.116%  kept
          QD    LYS+  38 - HD2   HIS  122  16.84 +/- 6.31   3.382% *  0.2454% (1.00   0.02   0.02) =   0.016%
          QD    LYS+  65 - HD2   HIS  122  13.42 +/- 1.77   1.601% *  0.2327% (0.95   0.02   0.02) =   0.007%
          QD    LYS+ 102 - HD2   HIS  122  17.16 +/- 4.73   1.029% *  0.1880% (0.76   0.02   0.02) =   0.004%
          HG3   PRO   93 - HD2   HIS  122  16.56 +/- 1.62   0.881% *  0.1392% (0.57   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  22.84 +/- 4.14   0.418% *  0.2411% (0.98   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  15.80 +/- 2.05   1.052% *  0.0923% (0.38   0.02   0.02) =   0.002%
          QB    ALA   57 - HD2   HIS  122  12.07 +/- 1.42   2.512% *  0.0379% (0.15   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HD2   HIS  122  16.86 +/- 1.31   0.760% *  0.0684% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  18.74 +/- 1.50   0.576% *  0.0487% (0.20   0.02   0.02) =   0.001%
    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 = 0.862, support = 4.94, residual support = 53.6:
          HB3   LYS+ 121 - HD2   HIS  122   3.93 +/- 0.90  49.060% * 71.3493% (1.00   4.83  53.63) =  79.381%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.76 +/- 1.22  33.149% * 27.3243% (0.34   5.41  53.63) =  20.541%  kept
          QD    LYS+  66 - HD2   HIS  122  11.40 +/- 3.74   8.087% *  0.2152% (0.73   0.02   0.02) =   0.039%
          HG    LEU  104 - HD2   HIS  122  12.64 +/- 4.86   2.382% *  0.2956% (1.00   0.02   0.02) =   0.016%
          HG2   LYS+  33 - HD2   HIS  122  17.32 +/- 5.44   3.030% *  0.1011% (0.34   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HD2   HIS  122  14.32 +/- 1.47   1.041% *  0.2859% (0.97   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HD2   HIS  122  16.39 +/- 2.28   0.645% *  0.2803% (0.95   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HD2   HIS  122  14.27 +/- 1.96   1.318% *  0.0824% (0.28   0.02   0.02) =   0.002%
          QG2   THR   26 - HD2   HIS  122  15.98 +/- 4.02   1.286% *  0.0660% (0.22   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 = 0.463, support = 2.78, residual support = 10.6:
          QG2   ILE  119 - HD2   HIS  122   4.25 +/- 0.70  41.625% * 39.8414% (0.18  1.00   3.92  15.36) =  64.498%  kept
          QD2   LEU   40 - HD2   HIS  122   8.80 +/- 4.72  19.394% * 43.5394% (1.00  1.00   0.75   2.26) =  32.840%  kept
          QD1   LEU   67 - HD2   HIS  122  10.01 +/- 2.46   6.134% *  7.0484% (1.00  1.00   0.12   0.02) =   1.681%  kept
          QD2   LEU   71 - HD2   HIS  122  10.15 +/- 4.82  21.171% *  0.4773% (0.41  1.00   0.02   0.02) =   0.393%  kept
        T HB    VAL   75 - HD2   HIS  122  14.44 +/- 2.35   1.145% *  6.5733% (0.57 10.00   0.02   0.02) =   0.293%  kept
          QG2   ILE  103 - HD2   HIS  122  11.39 +/- 3.94   4.157% *  1.1205% (0.97  1.00   0.02   0.02) =   0.181%  kept
          QD1   ILE  103 - HD2   HIS  122  12.68 +/- 4.60   5.443% *  0.3584% (0.31  1.00   0.02   0.02) =   0.076%
          HG3   LYS+  74 - HD2   HIS  122  16.05 +/- 2.70   0.932% *  1.0413% (0.90  1.00   0.02   0.02) =   0.038%
    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 = 0.486, support = 4.26, residual support = 37.0:
          QD1   LEU  123 - HD2   HIS  122   4.65 +/- 0.99  38.547% * 49.8226% (0.49   4.63  38.88) =  68.627%  kept
          QD2   LEU  123 - HD2   HIS  122   6.31 +/- 1.25  17.203% * 43.1844% (0.49   4.01  38.88) =  26.546%  kept
          QD1   LEU   71 - HD2   HIS  122  10.70 +/- 5.09  20.729% *  5.7910% (0.49   0.54   0.02) =   4.290%  kept
          QG1   VAL   70 - HD2   HIS  122   8.11 +/- 3.54  18.436% *  0.7448% (0.28   0.12   0.02) =   0.491%  kept
          HB3   LEU  104 - HD2   HIS  122  12.33 +/- 5.21   3.057% *  0.3696% (0.84   0.02   0.02) =   0.040%
          QG1   VAL   18 - HD2   HIS  122  12.30 +/- 2.68   2.029% *  0.0876% (0.20   0.02   0.02) =   0.006%
    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 = 1.34, residual support = 5.08:
        T QG2   THR  118 - HD2   HIS  122   3.39 +/- 0.28 100.000% *100.0000% (0.69 10.00   1.34   5.08) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.861, support = 1.25, residual support = 16.8:
          HB3   LEU   73 - HE3   TRP   27   6.86 +/- 4.96  26.390% * 43.1665% (0.94   1.35  21.83) =  76.612%  kept
          HB    VAL   42 - HE3   TRP   27   9.22 +/- 2.15   5.589% * 33.3369% (0.97   1.00   0.32) =  12.530%  kept
          HG3   LYS+  65 - HN    LEU   67   5.50 +/- 1.02  19.740% *  5.1088% (0.15   0.99   0.14) =   6.782%  kept
          HB3   LYS+  74 - HE3   TRP   27   9.71 +/- 2.67   3.442% *  8.4545% (0.31   0.81   0.02) =   1.957%  kept
          HB2   LEU   80 - HE3   TRP   27  15.66 +/- 7.67   4.926% *  4.4835% (0.17   0.76   3.83) =   1.485%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.40 +/- 0.95   4.422% *  0.6760% (0.99   0.02   0.02) =   0.201%  kept
          QB    LEU   98 - HE3   TRP   27  10.16 +/- 2.50   4.226% *  0.3836% (0.56   0.02   0.02) =   0.109%  kept
          QB    ALA   12 - HE3   TRP   27  15.18 +/- 3.26   1.232% *  0.5659% (0.83   0.02   0.02) =   0.047%
          HG3   LYS+  65 - HE3   TRP   27  15.92 +/- 3.16   0.993% *  0.6641% (0.97   0.02   0.02) =   0.044%
          HG3   LYS+ 106 - HE3   TRP   27  15.37 +/- 3.30   1.137% *  0.5178% (0.76   0.02   0.02) =   0.040%
          HG3   LYS+ 102 - HE3   TRP   27  17.02 +/- 3.44   0.719% *  0.6254% (0.91   0.02   0.02) =   0.030%
          HB3   PRO   93 - HE3   TRP   27  16.54 +/- 3.55   2.596% *  0.1508% (0.22   0.02   0.02) =   0.026%
          HB    VAL   42 - HN    LEU   67   9.29 +/- 1.59   3.772% *  0.1033% (0.15   0.02   0.02) =   0.026%
          HG    LEU   98 - HE3   TRP   27  11.88 +/- 3.16   2.860% *  0.0917% (0.13   0.02   0.02) =   0.018%
          HB2   LYS+ 112 - HE3   TRP   27  21.77 +/- 3.73   0.373% *  0.5877% (0.86   0.02   0.02) =   0.015%
          HD3   LYS+ 121 - HE3   TRP   27  17.21 +/- 5.35   0.931% *  0.1884% (0.28   0.02   0.02) =   0.012%
          QB    ALA   84 - HE3   TRP   27  16.35 +/- 4.85   1.122% *  0.1341% (0.20   0.02   0.02) =   0.010%
          HB3   LYS+  74 - HN    LEU   67  10.49 +/- 2.68   4.339% *  0.0325% (0.05   0.02   0.02) =   0.009%
          HB3   LEU   73 - HN    LEU   67  12.11 +/- 0.74   1.396% *  0.0997% (0.15   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    LEU   67  17.78 +/- 4.52   1.411% *  0.0881% (0.13   0.02   0.02) =   0.008%
          HG3   LYS+  33 - HN    LEU   67  16.66 +/- 3.46   1.116% *  0.1052% (0.15   0.02   0.02) =   0.008%
          QB    LEU   98 - HN    LEU   67  14.17 +/- 1.90   1.082% *  0.0597% (0.09   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   67  17.96 +/- 3.07   0.646% *  0.0806% (0.12   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    LEU   67  17.01 +/- 1.94   0.550% *  0.0914% (0.13   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    LEU   67  18.49 +/- 3.51   1.766% *  0.0209% (0.03   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   67  22.27 +/- 3.36   0.293% *  0.0973% (0.14   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    LEU   67  15.49 +/- 3.13   0.835% *  0.0293% (0.04   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LEU   67  14.89 +/- 2.35   0.865% *  0.0235% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  16.16 +/- 2.19   0.710% *  0.0143% (0.02   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  19.19 +/- 3.32   0.518% *  0.0185% (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        :     74
      with multiple volume contributions     :    130
      eliminated by violation filter         :     17
 
    Peaks:
      selected                               :    244
      without assignment                     :     31
      with assignment                        :    213
      with unique assignment                 :    101
      with multiple assignment               :    112
      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             :    181
 
    Atoms with eliminated volume contribution > 2.5:
    HZ3   TRP   87       4.0
    HZ2   TRP   87       2.9
    HH2   TRP   87       3.0