- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0
        0 quality=0.2 violation=1.5
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 3.34, residual support = 47.6:
      O   HA    MET   11 - HN    MET   11   2.77 +/- 0.21  82.384% * 91.9907% (0.95  10.0   3.36  48.10) =  98.544%  kept
          HA    ALA   12 - HN    MET   11   5.07 +/- 0.40  15.039% *  7.4383% (0.73   1.0   2.11  11.87) =   1.455%  kept
          HA    GLU-  14 - HN    MET   11  11.04 +/- 1.05   1.479% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    MET   11  20.82 +/- 4.71   0.324% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  28.90 +/- 4.76   0.099% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  30.48 +/- 6.00   0.117% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  32.48 +/- 5.72   0.074% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  30.68 +/- 6.51   0.130% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  36.39 +/- 8.32   0.062% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  37.79 +/- 7.27   0.048% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  37.09 +/- 8.51   0.149% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.43 +/- 5.74   0.096% *  0.0242% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.577, support = 2.77, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.74 +/- 0.23  44.500% * 68.6590% (0.71  10.0   2.38  12.48) =  64.890%  kept
      O   HA    MET   11 - HN    ALA   12   2.60 +/- 0.27  53.225% * 31.0568% (0.32  10.0   3.51  11.87) =  35.107%  kept
          HA    GLU-  14 - HN    ALA   12   8.04 +/- 0.70   1.892% *  0.0691% (0.72   1.0   0.02   0.02) =   0.003%
          HA    LEU  104 - HN    ALA   12  30.08 +/- 6.18   0.094% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  34.43 +/- 7.45   0.038% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.13 +/- 6.17   0.125% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.40 +/- 4.07   0.063% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  30.26 +/- 4.58   0.038% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  35.67 +/- 6.18   0.027% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.137, support = 1.72, residual support = 5.2:
      O   HA    ALA   12 - HN    SER   13   2.57 +/- 0.24  85.294% * 87.3889% (0.14  10.0   1.72   5.17) =  97.929%  kept
          HA    GLU-  14 - HN    SER   13   4.91 +/- 0.51  14.357% * 10.9708% (0.20   1.0   1.48   6.64) =   2.069%  kept
          HA    LEU  104 - HN    SER   13  28.29 +/- 5.39   0.122% *  0.3947% (0.53   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    SER   13  32.18 +/- 6.38   0.064% *  0.7353% (0.98   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    SER   13  25.97 +/- 2.90   0.105% *  0.3947% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  32.82 +/- 6.91   0.058% *  0.1157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.18:
      O   QB    SER   13 - HN    SER   13   2.84 +/- 0.37  97.132% * 99.5044% (0.87  10.0   2.06   6.18) =  99.997%  kept
          HB3   SER   37 - HN    SER   13  13.74 +/- 3.75   1.633% *  0.1124% (0.98   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    SER   13  15.50 +/- 3.61   0.934% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    SER   13  32.40 +/- 4.64   0.090% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  30.45 +/- 3.35   0.092% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  31.06 +/- 7.09   0.119% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.46, residual support = 49.7:
      O   HA    GLN   17 - HN    VAL   18   2.56 +/- 0.14  89.360% * 99.5491% (0.81  10.0   5.46  49.74) =  99.994%  kept
          HA    VAL   42 - HN    VAL   18  12.38 +/- 4.57   2.175% *  0.1100% (0.89   1.0   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    VAL   18   7.29 +/- 0.21   4.017% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    VAL   18  15.00 +/- 4.25   1.949% *  0.0265% (0.21   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  15.04 +/- 1.98   0.518% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  16.86 +/- 4.10   0.468% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  11.95 +/- 1.65   1.143% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.74 +/- 2.96   0.189% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  22.88 +/- 5.14   0.181% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 5.53, residual support = 76.1:
      O   HA    VAL   18 - HN    VAL   18   2.86 +/- 0.04  84.291% * 86.2579% (0.36  10.0   5.57  77.03) =  98.775%  kept
          HA1   GLY   16 - HN    VAL   18   6.63 +/- 0.21   6.897% * 12.8638% (0.43   1.0   2.50   0.02) =   1.205%  kept
          HA    VAL   70 - HN    VAL   18   9.71 +/- 3.80   4.323% *  0.1994% (0.84   1.0   0.02   0.02) =   0.012%
          HB2   SER   37 - HN    VAL   18  12.74 +/- 2.44   1.450% *  0.1840% (0.77   1.0   0.02   0.02) =   0.004%
          HA    GLU-  29 - HN    VAL   18  15.37 +/- 3.40   1.461% *  0.0945% (0.40   1.0   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    VAL   18  14.70 +/- 2.21   0.968% *  0.1301% (0.55   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   18  19.92 +/- 3.54   0.404% *  0.1994% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  24.13 +/- 5.78   0.206% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 6.54:
      O   HA    SER   13 - HN    GLU-  14   2.62 +/- 0.37  79.339% * 90.1476% (0.67  10.0   2.10   6.64) =  98.146%  kept
          HA    GLU-  15 - HN    GLU-  14   4.98 +/- 0.59  14.294% *  9.4218% (0.67   1.0   2.09   1.56) =   1.848%  kept
          HA    GLN   17 - HN    GLU-  14   9.10 +/- 0.97   2.720% *  0.0678% (0.51   1.0   0.02   0.02) =   0.003%
          HA    SER   37 - HN    GLU-  14  13.01 +/- 3.29   1.615% *  0.0678% (0.51   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    GLU-  14  16.37 +/- 3.39   0.985% *  0.0780% (0.58   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  14  23.19 +/- 4.62   0.343% *  0.0884% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.24 +/- 3.69   0.118% *  0.0748% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.93 +/- 3.45   0.341% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  27.90 +/- 5.56   0.109% *  0.0208% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  27.64 +/- 4.20   0.135% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.6, residual support = 17.2:
          HN    GLN   17 - HN    GLY   16   2.41 +/- 0.12  94.599% * 86.7529% (0.13   3.60  17.24) =  99.902%  kept
          HE3   TRP   87 - HN    GLY   16  23.54 +/- 7.34   1.029% *  3.2868% (0.90   0.02   0.02) =   0.041%
          HN    THR   39 - HN    GLY   16   9.96 +/- 3.83   3.457% *  0.5494% (0.15   0.02   0.18) =   0.023%
          HN    ALA   61 - HN    GLY   16  17.11 +/- 3.14   0.376% *  3.5290% (0.97   0.02   0.02) =   0.016%
          HN    TRP   27 - HN    GLY   16  14.71 +/- 1.45   0.448% *  2.4458% (0.67   0.02   0.02) =   0.013%
          HN    ALA   91 - HN    GLY   16  26.82 +/- 4.56   0.091% *  3.4362% (0.94   0.02   0.02) =   0.004%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 17.2:
        T HN    GLY   16 - HN    GLN   17   2.41 +/- 0.12  99.767% * 99.8536% (1.00 10.00   3.60  17.24) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  24.71 +/- 3.31   0.108% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  25.19 +/- 5.64   0.125% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.498, support = 2.1, residual support = 6.13:
      O   HA    GLU-  15 - HN    GLY   16   2.59 +/- 0.29  70.920% * 75.7462% (0.47  10.0   2.05   5.56) =  95.165%  kept
          HA    GLN   17 - HN    GLY   16   4.93 +/- 0.10  11.501% * 23.6249% (0.97   1.0   3.06  17.24) =   4.813%  kept
          HA    LEU   40 - HN    GLY   16  11.59 +/- 4.11  11.925% *  0.0480% (0.30   1.0   0.02   0.13) =   0.010%
          HA    SER   37 - HN    GLY   16  10.92 +/- 3.54   2.190% *  0.1542% (0.97   1.0   0.02   0.02) =   0.006%
          HA    SER   13 - HN    GLY   16   8.96 +/- 0.90   2.164% *  0.0757% (0.47   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    GLY   16  14.09 +/- 4.36   0.812% *  0.1069% (0.67   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    GLY   16  21.59 +/- 3.66   0.154% *  0.1502% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  19.48 +/- 3.54   0.258% *  0.0698% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  26.54 +/- 2.76   0.075% *  0.0240% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.68 +/- 0.21  39.840% * 12.6997% (0.90   0.02   0.02) =  48.780%  kept
          HA    VAL   70 - HN    GLY   16  10.27 +/- 4.54  23.188% *  6.1679% (0.44   0.02   0.02) =  13.789%  kept
          HA    LYS+  33 - HN    GLY   16  11.61 +/- 2.68  10.805% * 10.5138% (0.75   0.02   0.02) =  10.953%  kept
          HA    GLN   32 - HN    GLY   16  13.83 +/- 3.14  11.596% *  9.4500% (0.67   0.02   0.02) =  10.565%  kept
          HA    GLU-  29 - HN    GLY   16  14.38 +/- 3.05   8.358% * 12.3380% (0.87   0.02   0.02) =   9.942%  kept
          HA    SER   48 - HN    GLY   16  23.02 +/- 4.31   1.471% * 12.6997% (0.90   0.02   0.02) =   1.801%  kept
          HB2   SER   82 - HN    GLY   16  26.65 +/- 6.63   1.119% * 13.2768% (0.94   0.02   0.02) =   1.432%  kept
          HA    ALA   88 - HN    GLY   16  28.00 +/- 5.76   1.425% *  9.9899% (0.71   0.02   0.02) =   1.372%  kept
          HD2   PRO   52 - HN    GLY   16  25.90 +/- 4.12   1.130% *  6.6964% (0.47   0.02   0.02) =   0.730%  kept
          HA    GLN  116 - HN    GLY   16  24.02 +/- 3.23   1.069% *  6.1679% (0.44   0.02   0.02) =   0.636%  kept
    Distance limit 3.52 A violated in 18 structures by 2.62 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.975, support = 5.16, residual support = 81.7:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.02  51.961% * 95.6048% (0.99  10.0   5.27  84.39) =  96.865%  kept
          HA    GLU-  15 - HN    GLN   17   3.17 +/- 0.16  40.039% *  4.0054% (0.49   1.0   1.71   0.02) =   3.127%  kept
          HA    LEU   40 - HN    GLN   17  12.02 +/- 3.68   3.376% *  0.0298% (0.31   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    GLN   17   9.07 +/- 0.98   1.996% *  0.0470% (0.49   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    GLN   17  12.28 +/- 2.57   0.952% *  0.0956% (0.99   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLN   17  13.61 +/- 4.21   0.923% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLN   17  18.04 +/- 3.81   0.467% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  20.14 +/- 3.63   0.191% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  25.04 +/- 2.86   0.094% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.4:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  97.662% * 99.1229% (0.70  10.0 10.00   1.00  84.39) =  99.988%  kept
        T HE21  GLN   17 - HE22  GLN   32  20.00 +/- 6.01   2.012% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.012%
          HN    ALA  124 - HE22  GLN   17  24.84 +/- 6.00   0.089% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  23.57 +/- 4.42   0.056% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.62 +/- 7.63   0.065% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.88 +/- 6.35   0.041% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  24.12 +/- 3.93   0.047% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  30.28 +/- 4.66   0.026% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.4:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  97.837% * 99.4952% (0.63  10.0   1.00  84.39) =  99.998%  kept
          HE22  GLN   32 - HE21  GLN   17  20.00 +/- 6.01   2.016% *  0.1080% (0.34   1.0   0.02   0.02) =   0.002%
          HD2   HIS  122 - HE21  GLN   17  21.35 +/- 3.63   0.067% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  25.61 +/- 5.01   0.047% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  29.85 +/- 6.69   0.034% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.279, support = 3.33, residual support = 21.6:
      O   HA1   GLY   16 - HN    GLN   17   3.25 +/- 0.08  67.723% * 63.2148% (0.22  10.0   3.26  17.24) =  86.611%  kept
          HA    VAL   18 - HN    GLN   17   5.02 +/- 0.22  18.605% * 35.4131% (0.65   1.0   3.86  49.74) =  13.329%  kept
          HA    VAL   70 - HN    GLN   17   9.95 +/- 3.90   4.467% *  0.2833% (1.00   1.0   0.02   0.02) =   0.026%
          HB2   SER   37 - HN    GLN   17  10.28 +/- 3.09   3.756% *  0.1494% (0.53   1.0   0.02   0.02) =   0.011%
          HA    GLU-  29 - HN    GLN   17  14.54 +/- 3.34   2.636% *  0.1950% (0.69   1.0   0.02   0.02) =   0.010%
          HA    LYS+  33 - HN    GLN   17  12.51 +/- 2.52   1.986% *  0.2372% (0.84   1.0   0.02   0.02) =   0.010%
          HA    GLN  116 - HN    GLN   17  22.84 +/- 3.33   0.247% *  0.2833% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   17  25.87 +/- 6.05   0.207% *  0.1608% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   17  21.53 +/- 4.30   0.374% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.41, residual support = 4.96:
          HA    LEU   73 - HN    ILE   19   4.72 +/- 5.08 100.000% *100.0000% (0.87   2.41   4.96) = 100.000%  kept
    Distance limit 3.71 A violated in 4 structures by 1.96 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 22.7:
      O   HA    VAL   18 - HN    ILE   19   2.22 +/- 0.04  92.774% * 91.9821% (0.65  10.0   4.86  22.73) =  99.841%  kept
          HA    VAL   70 - HN    ILE   19  10.11 +/- 3.14   1.772% *  7.4410% (1.00   1.0   1.05   0.11) =   0.154%  kept
          HA    LYS+  33 - HN    ILE   19  12.15 +/- 1.67   1.009% *  0.1188% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   19  12.23 +/- 1.75   0.855% *  0.0977% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ILE   19  11.47 +/- 2.43   0.975% *  0.0748% (0.53   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.10 +/- 0.64   1.999% *  0.0317% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  20.14 +/- 3.22   0.196% *  0.1419% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  21.42 +/- 6.19   0.167% *  0.0805% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.70 +/- 3.63   0.251% *  0.0317% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.7, residual support = 171.2:
      O   HA    ILE   19 - HN    ILE   19   2.90 +/- 0.03  95.503% * 99.7071% (0.87  10.0   6.70 171.19) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  10.85 +/- 1.63   2.556% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLU-  25 - HN    ILE   19  13.93 +/- 1.08   0.941% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  18.77 +/- 2.15   0.414% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  23.50 +/- 3.44   0.269% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  22.27 +/- 5.76   0.316% *  0.0177% (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 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   2.26 +/- 0.07  95.393% * 99.7374% (0.97  10.0   5.04  25.64) =  99.998%  kept
          HA    THR   26 - HN    ALA   20   9.44 +/- 2.09   3.182% *  0.0388% (0.38   1.0   0.02   0.13) =   0.001%
          HA    GLU-  25 - HN    ALA   20  12.53 +/- 1.95   0.803% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ALA   20  19.14 +/- 3.23   0.253% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  21.91 +/- 4.92   0.141% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.07 +/- 4.56   0.229% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.04  95.038% * 99.9455% (0.97  10.0   3.14  15.22) =  99.997%  kept
          HA    LEU   71 - HN    ALA   20  10.02 +/- 3.21   4.962% *  0.0545% (0.53   1.0   0.02   0.02) =   0.003%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 4.15, residual support = 10.2:
        T HN    LYS+  74 - HN    CYS   21   4.89 +/- 3.87  55.097% * 99.2410% (0.76 10.00   4.15  10.26) =  99.927%  kept
        T HN    LYS+  74 - HN    ILE  119  18.24 +/- 3.13   7.828% *  0.3136% (0.24 10.00   0.02   0.02) =   0.045%
          HN    THR   46 - HN    CYS   21  12.35 +/- 2.72   4.235% *  0.1299% (1.00  1.00   0.02   0.02) =   0.010%
          HN    THR   46 - HN    ILE  119  15.22 +/- 1.82   7.008% *  0.0410% (0.32  1.00   0.02   0.02) =   0.005%
          HN    MET   92 - HN    CYS   21  19.30 +/- 2.69   1.245% *  0.1228% (0.95  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HN    ILE  119  10.43 +/- 0.62  14.563% *  0.0102% (0.08  1.00   0.02   0.02) =   0.003%
          HN    MET   92 - HN    ILE  119  17.11 +/- 3.08   3.524% *  0.0388% (0.30  1.00   0.02   0.02) =   0.003%
          HN    MET   11 - HN    CYS   21  20.97 +/- 4.82   2.349% *  0.0534% (0.41  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HN    CYS   21  22.08 +/- 5.40   3.599% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    ILE  119  34.72 +/- 4.74   0.552% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 3 structures by 1.47 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 16.4:
      O   HA    ALA   20 - HN    CYS   21   2.25 +/- 0.02  97.727% * 99.8901% (0.95  10.0   3.46  16.41) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  11.46 +/- 2.42   0.988% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.00 +/- 3.68   0.521% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.08 +/- 3.98   0.269% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  18.70 +/- 3.59   0.327% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  21.36 +/- 5.38   0.169% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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   2.73 +/- 0.05  98.599% * 99.8043% (0.83  10.0   3.83  41.00) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  14.34 +/- 0.92   0.723% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  18.43 +/- 3.17   0.485% *  0.1025% (0.85   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    ASP-  62  22.58 +/- 2.17   0.193% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 1.5, residual support = 6.39:
          HA    PHE   59 - HN    ASP-  62   3.85 +/- 0.38  84.453% * 92.4913% (0.52   1.50   6.41) =  99.742%  kept
          HA    ILE   56 - HN    ASP-  62   8.84 +/- 1.15   8.850% *  1.2332% (0.52   0.02   0.02) =   0.139%  kept
          HA    ASP- 113 - HN    ASP-  62  14.68 +/- 1.87   2.119% *  2.0287% (0.86   0.02   0.02) =   0.055%
          HA    LEU  123 - HN    ASP-  62  14.20 +/- 1.86   2.136% *  0.9897% (0.42   0.02   0.02) =   0.027%
          HA    LYS+  99 - HN    ASP-  62  17.86 +/- 2.83   1.099% *  1.6281% (0.69   0.02   0.02) =   0.023%
          HA    ASN   35 - HN    ASP-  62  20.82 +/- 2.51   0.656% *  1.3153% (0.56   0.02   0.02) =   0.011%
          HA    TRP   87 - HN    ASP-  62  20.48 +/- 2.80   0.687% *  0.3137% (0.13   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 0 structures by 0.12 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.33, residual support = 21.5:
          HN    THR   23 - HN    HIS   22   2.95 +/- 0.88  90.500% * 97.2779% (0.69   3.34  21.52) =  99.932%  kept
          HE3   TRP   27 - HN    HIS   22   8.15 +/- 1.22   5.428% *  0.8473% (1.00   0.02   0.02) =   0.052%
          QE    PHE   95 - HN    HIS   22  16.23 +/- 2.75   0.819% *  0.6167% (0.73   0.02   0.02) =   0.006%
          QD    PHE   55 - HN    HIS   22  21.64 +/- 5.17   0.349% *  0.8473% (1.00   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    HIS   22  16.22 +/- 5.46   1.871% *  0.1487% (0.18   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    HIS   22  15.55 +/- 2.66   1.033% *  0.2621% (0.31   0.02   0.02) =   0.003%
    Distance limit 3.87 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 = 0.944, support = 0.335, residual support = 5.49:
          HA    ALA   20 - HN    HIS   22   4.89 +/- 0.14  87.912% * 96.5684% (0.95   0.34   5.51) =  99.744%  kept
          HA    LYS+ 102 - HN    HIS   22  22.04 +/- 4.45   7.508% *  2.0764% (0.34   0.02   0.02) =   0.183%  kept
          HA    LEU   71 - HN    HIS   22  13.82 +/- 1.76   4.581% *  1.3552% (0.22   0.02   0.02) =   0.073%
    Distance limit 3.92 A violated in 0 structures by 0.96 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.73, residual support = 13.1:
        T HN    THR   26 - HN    THR   23   4.61 +/- 0.15  76.424% * 98.0306% (0.69 10.00   3.74  13.11) =  99.539%  kept
          HN    LEU   80 - HN    THR   23  12.45 +/- 6.52  18.587% *  1.8530% (0.34  1.00   0.76   0.91) =   0.458%  kept
          HN    CYS   53 - HN    THR   23  20.27 +/- 4.21   1.789% *  0.0808% (0.57  1.00   0.02   0.02) =   0.002%
          HN    ALA   34 - HN    THR   23  13.50 +/- 0.72   3.200% *  0.0356% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 4.41 A violated in 0 structures by 0.17 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 21.5:
        T HN    HIS   22 - HN    THR   23   2.95 +/- 0.88  90.641% * 99.9047% (0.99 10.00   3.34  21.52) =  99.990%  kept
          HN    ASP-  76 - HN    THR   23   9.69 +/- 3.79   9.359% *  0.0953% (0.95  1.00   0.02   0.02) =   0.010%
    Distance limit 3.53 A violated in 0 structures by 0.08 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.84, residual support = 33.8:
        T HN    GLU-  25 - HN    VAL   24   2.78 +/- 0.18  87.579% * 95.5446% (0.98 10.00   7.87  33.88) =  99.471%  kept
          HN    ASN   28 - HN    VAL   24   5.86 +/- 0.35  10.158% *  4.3588% (0.41  1.00   2.18  14.89) =   0.526%  kept
          HN    ASP-  44 - HN    VAL   24  13.19 +/- 2.56   2.263% *  0.0966% (0.99  1.00   0.02   0.02) =   0.003%
    Distance limit 3.64 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 = 33.9:
        T HN    VAL   24 - HN    GLU-  25   2.78 +/- 0.18 100.000% *100.0000% (1.00 10.00   7.87  33.88) = 100.000%  kept
    Distance limit 3.39 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 = 5.46, residual support = 31.9:
        T HN    THR   26 - HN    GLU-  25   2.84 +/- 0.09  99.639% * 99.9840% (0.97 10.00   5.46  31.94) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.89 +/- 1.51   0.361% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.967, support = 5.41, residual support = 31.2:
        T HN    GLU-  25 - HN    THR   26   2.84 +/- 0.09  74.061% * 93.4639% (0.98 10.00   5.46  31.94) =  97.719%  kept
          HN    ASN   28 - HN    THR   26   4.10 +/- 0.17  25.071% *  6.4416% (0.41  1.00   3.29   0.42) =   2.280%  kept
          HN    ASP-  44 - HN    THR   26  14.52 +/- 2.44   0.868% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.46 +/- 0.12  97.719% * 98.4536% (0.99   4.45  22.68) =  99.995%  kept
          HD1   TRP   87 - HN    THR   26  18.04 +/- 4.87   0.428% *  0.2707% (0.61   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  19.16 +/- 3.65   0.312% *  0.3066% (0.69   0.02   0.02) =   0.001%
          HN    THR   39 - HN    THR   26  17.18 +/- 1.15   0.306% *  0.2887% (0.65   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  22.50 +/- 3.84   0.174% *  0.3411% (0.76   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR   26  19.85 +/- 4.30   0.283% *  0.1675% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.43 +/- 0.69   0.412% *  0.1113% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.14 +/- 4.79   0.366% *  0.0604% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.918, support = 3.66, residual support = 13.8:
          HN    THR   23 - HN    THR   26   4.61 +/- 0.15  63.375% * 66.9616% (0.97   3.74  13.11) =  90.242%  kept
          HE3   TRP   27 - HN    THR   26   7.66 +/- 0.24  14.212% * 29.1668% (0.49   3.23  22.68) =   8.814%  kept
          HD2   HIS   22 - HN    THR   26   8.07 +/- 1.31  15.919% *  2.6935% (0.45   0.32   0.02) =   0.912%  kept
          HN    LEU   67 - HN    THR   26  18.59 +/- 2.89   1.450% *  0.3423% (0.92   0.02   0.02) =   0.011%
          QE    PHE   95 - HN    THR   26  18.27 +/- 2.43   1.374% *  0.3508% (0.95   0.02   0.02) =   0.010%
          HD1   TRP   49 - HN    THR   26  22.64 +/- 5.03   1.317% *  0.2249% (0.61   0.02   0.02) =   0.006%
          QD    PHE   55 - HN    THR   26  24.33 +/- 4.24   0.656% *  0.2099% (0.57   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.81 +/- 1.11   1.698% *  0.0502% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.864, support = 4.4, residual support = 58.1:
          HE3   TRP   27 - HN    TRP   27   5.23 +/- 0.23  28.483% * 70.5780% (1.00   5.33 100.69) =  57.150%  kept
          HN    THR   23 - HN    TRP   27   4.25 +/- 0.24  52.472% * 28.7088% (0.69   3.15   1.32) =  42.825%  kept
          QE    PHE   95 - HN    TRP   27  16.52 +/- 2.09   1.200% *  0.1926% (0.73   0.02   0.02) =   0.007%
          HN    LYS+  81 - HN    TRP   27  16.53 +/- 7.22   3.360% *  0.0465% (0.18   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    TRP   27  23.02 +/- 3.65   0.466% *  0.2647% (1.00   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    ALA   91  16.18 +/- 4.17   3.526% *  0.0327% (0.12   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    TRP   27  16.68 +/- 2.67   1.338% *  0.0819% (0.31   0.02   0.02) =   0.003%
          QE    PHE   95 - HN    ALA   91  10.32 +/- 1.18   4.217% *  0.0238% (0.09   0.02   0.02) =   0.003%
          HE3   TRP   27 - HN    ALA   91  19.11 +/- 3.34   0.765% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    THR   23 - HN    ALA   91  19.93 +/- 3.28   0.686% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.32 +/- 1.79   2.515% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  20.05 +/- 3.42   0.969% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.07 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.46 +/- 0.12  99.195% * 99.8587% (0.97 10.00   4.45  22.68) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  22.50 +/- 3.84   0.177% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  15.19 +/- 1.56   0.469% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.20 +/- 2.19   0.160% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.76, residual support = 32.4:
        T HN    GLN   90 - HN    ALA   91   2.02 +/- 0.40  93.962% * 91.0962% (0.12 10.00   6.76  32.41) =  99.972%  kept
        T HN    GLN   90 - HN    TRP   27  20.14 +/- 3.70   0.212% *  7.3725% (0.95 10.00   0.02   0.02) =   0.018%
          HN    ILE  103 - HN    TRP   27  18.90 +/- 4.34   0.573% *  0.7794% (1.00  1.00   0.02   0.02) =   0.005%
          HN    GLY  109 - HN    ALA   91   9.03 +/- 3.37   3.461% *  0.0507% (0.07  1.00   0.02   0.02) =   0.002%
          HN    SER   82 - HN    TRP   27  16.77 +/- 7.66   0.807% *  0.1735% (0.22  1.00   0.02   0.02) =   0.002%
          HN    GLY  109 - HN    TRP   27  22.49 +/- 3.02   0.101% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.93 +/- 2.15   0.171% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.65 +/- 1.59   0.713% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.981, support = 4.89, residual support = 46.5:
        T HN    ASN   28 - HN    TRP   27   2.79 +/- 0.08  73.096% * 94.7354% (0.99 10.00   4.93  47.32) =  98.314%  kept
          HN    GLU-  25 - HN    TRP   27   4.10 +/- 0.15  23.506% *  5.0467% (0.38  1.00   2.81   0.65) =   1.684%  kept
          HN    ASP-  44 - HN    TRP   27  12.42 +/- 2.43   1.418% *  0.0393% (0.41  1.00   0.02   0.02) =   0.001%
        T HN    ASN   28 - HN    ALA   91  21.40 +/- 4.13   0.224% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.52 +/- 2.35   0.329% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.71 +/- 1.37   0.920% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  23.14 +/- 3.70   0.254% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  21.53 +/- 4.38   0.253% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 100.7:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  96.354% * 99.6380% (0.76  10.0   1.97 100.69) =  99.995%  kept
          HE21  GLN   30 - HE1   TRP   27   9.99 +/- 1.31   2.186% *  0.1312% (0.99   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HE1   TRP   27  21.85 +/- 4.59   0.965% *  0.1297% (0.98   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE1   TRP   27  17.21 +/- 2.81   0.495% *  0.1011% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 1.46, residual support = 100.7:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.509% * 99.8514% (0.45  10.0   1.46 100.69) =  99.998%  kept
          HZ    PHE   72 - HE1   TRP   27  13.77 +/- 2.29   1.491% *  0.1486% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 4.82, residual support = 29.0:
          HN    GLU-  29 - HN    ASN   28   2.88 +/- 0.07  67.289% * 56.2758% (0.98   4.89  32.38) =  74.874%  kept
          HN    GLN   30 - HN    ASN   28   3.82 +/- 0.11  29.271% * 43.4044% (0.80   4.61  19.12) =  25.121%  kept
          HN    ASP-  86 - HN    ASN   28  17.82 +/- 6.87   0.803% *  0.2039% (0.87   0.02   0.02) =   0.003%
          HN    GLU-  14 - HN    ASN   28  16.81 +/- 3.55   1.278% *  0.0523% (0.22   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    ASN   28  14.45 +/- 2.26   0.792% *  0.0318% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  21.34 +/- 5.78   0.567% *  0.0318% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.93, residual support = 47.3:
          HN    TRP   27 - HN    ASN   28   2.79 +/- 0.08  94.987% * 98.6016% (0.99   4.93  47.32) =  99.990%  kept
          HD1   TRP   87 - HN    ASN   28  16.33 +/- 5.66   1.173% *  0.2448% (0.61   0.02   0.02) =   0.003%
          HN    THR   39 - HN    ASN   28  14.75 +/- 0.91   0.676% *  0.2611% (0.65   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  18.37 +/- 2.98   0.483% *  0.2773% (0.69   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    ASN   28  17.62 +/- 4.93   0.633% *  0.1515% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    ASN   28  13.04 +/- 0.35   0.952% *  0.1006% (0.25   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  21.40 +/- 4.13   0.291% *  0.3085% (0.76   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  18.10 +/- 4.80   0.805% *  0.0546% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.99, residual support = 46.8:
          HD1   TRP   27 - HN    ASN   28   2.94 +/- 0.46  92.419% * 78.7910% (0.41   5.06  47.32) =  98.227%  kept
          HE21  GLN   30 - HN    ASN   28   8.04 +/- 1.34   6.476% * 20.1992% (0.76   0.70  19.12) =   1.765%  kept
          HH2   TRP   49 - HN    ASN   28  23.47 +/- 4.32   0.669% *  0.6987% (0.92   0.02   0.02) =   0.006%
          QD    PHE   59 - HN    ASN   28  18.99 +/- 2.68   0.436% *  0.3112% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.10 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 = 2.6, residual support = 94.7:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.653% * 99.9543% (0.98  10.0   2.60  94.71) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.87 +/- 1.79   0.347% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.36, residual support = 3.79:
          HA    GLU-  25 - HD21  ASN   28   4.86 +/- 0.44  73.755% * 96.8272% (1.00   1.37   3.81) =  99.661%  kept
          HA    SER   82 - HD21  ASN   28  16.65 +/- 8.91  19.575% *  0.8025% (0.57   0.02   0.02) =   0.219%  kept
          HA    ILE   19 - HD21  ASN   28  13.22 +/- 1.70   5.582% *  1.3409% (0.95   0.02   0.02) =   0.104%  kept
          HA    CYS   53 - HD21  ASN   28  22.23 +/- 3.32   1.088% *  1.0293% (0.73   0.02   0.02) =   0.016%
    Distance limit 4.38 A violated in 0 structures by 0.36 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 5.62, residual support = 90.9:
      O   HA    ASN   28 - HN    ASN   28   2.70 +/- 0.03  76.946% * 85.5040% (0.84  10.0   5.68  94.71) =  95.957%  kept
          HA    THR   26 - HN    ASN   28   4.29 +/- 0.20  19.701% * 14.0550% (0.65   1.0   4.24   0.42) =   4.039%  kept
          HA1   GLY  101 - HN    ASN   28  17.38 +/- 5.67   1.576% *  0.1021% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ASN   28  11.50 +/- 0.50   1.016% *  0.0988% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  23.10 +/- 3.16   0.222% *  0.0888% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.20 +/- 3.51   0.165% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.29 +/- 3.95   0.173% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  27.87 +/- 6.21   0.200% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.896, support = 4.74, residual support = 93.7:
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.02  52.402% * 90.4766% (0.97  10.0   4.93 100.69) =  92.073%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  44.003% *  9.2758% (0.10  10.0   2.49  12.82) =   7.927%  kept
          HA    ALA   91 - HN    TRP   27  21.93 +/- 3.87   0.146% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.50 +/- 2.39   0.127% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.78 +/- 3.85   0.100% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  12.22 +/- 1.53   0.719% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  16.25 +/- 4.55   0.505% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  12.59 +/- 3.10   1.728% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  24.94 +/- 4.11   0.122% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  20.86 +/- 3.39   0.149% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   2.87 +/- 0.12  94.758% * 99.0042% (0.99   4.45  22.68) =  99.994%  kept
          HA    ASP-  62 - HN    TRP   27  17.12 +/- 2.97   0.662% *  0.4330% (0.97   0.02   0.02) =   0.003%
          HA    SER  117 - HN    TRP   27  25.68 +/- 4.57   0.360% *  0.3258% (0.73   0.02   0.02) =   0.001%
          HA    SER   82 - HN    TRP   27  18.43 +/- 7.47   1.063% *  0.0786% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  18.45 +/- 4.75   0.951% *  0.0535% (0.12   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ALA   91  18.78 +/- 3.36   0.594% *  0.0403% (0.09   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  22.73 +/- 3.59   0.243% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.41 +/- 1.66   1.370% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 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  22.86 +/- 3.19 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.41 A violated in 20 structures by 18.45 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.338, support = 4.63, residual support = 33.5:
      O   HB    THR   26 - HN    THR   26   2.17 +/- 0.08  80.342% * 21.3631% (0.15  10.0   4.16  34.80) =  55.304%  kept
      O   HA    GLU-  25 - HN    THR   26   3.60 +/- 0.03  17.694% * 78.3875% (0.57  10.0   5.23  31.94) =  44.692%  kept
          HA    ILE   19 - HN    THR   26  10.53 +/- 1.91   1.308% *  0.0472% (0.34   1.0   0.02   0.02) =   0.002%
          HA    SER   82 - HN    THR   26  19.20 +/- 7.75   0.366% *  0.1381% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ASP-  62 - HN    THR   26  18.93 +/- 3.34   0.188% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  23.00 +/- 3.65   0.101% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.798, support = 3.05, residual support = 6.38:
          HA    THR   23 - HN    GLU-  25   3.86 +/- 0.39  45.230% * 59.5947% (0.98   2.79   6.38) =  59.926%  kept
          HB    THR   23 - HN    GLU-  25   3.86 +/- 0.63  45.478% * 39.5729% (0.53   3.45   6.38) =  40.011%  kept
          HA    LEU   80 - HN    GLU-  25  14.13 +/- 8.05   7.993% *  0.2992% (0.69   0.02   0.02) =   0.053%
          HA    ASP-  78 - HN    GLU-  25  17.10 +/- 4.69   1.007% *  0.4121% (0.95   0.02   0.02) =   0.009%
          HA    ASP- 105 - HN    GLU-  25  22.95 +/- 3.68   0.292% *  0.1211% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.85, residual support = 127.5:
      O   HA    GLU-  25 - HN    GLU-  25   2.72 +/- 0.03  96.939% * 99.7793% (0.87  10.0   5.85 127.46) =  99.997%  kept
          HA    SER   82 - HN    GLU-  25  17.55 +/- 8.34   1.516% *  0.1032% (0.90   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    GLU-  25  12.68 +/- 1.76   1.293% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  25  22.95 +/- 3.82   0.251% *  0.0432% (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 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.714, support = 5.37, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.34 +/- 0.21  68.938% * 90.9197% (0.73  10.0   5.38  25.76) =  97.505%  kept
          HB    THR   23 - HN    VAL   24   3.91 +/- 0.47  19.785% *  7.3360% (0.22   1.0   5.26  25.76) =   2.258%  kept
          HA    LEU   80 - HN    VAL   24  11.92 +/- 7.87   9.475% *  1.6016% (0.34   1.0   0.75   4.37) =   0.236%  kept
          HA    ASP-  78 - HN    VAL   24  14.67 +/- 4.63   0.521% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  13.82 +/- 3.06   1.280% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.771, support = 3.42, residual support = 19.2:
      O   HA    THR   23 - HN    THR   23   2.74 +/- 0.22  67.025% * 36.7935% (0.61  10.0   3.04  19.24) =  57.961%  kept
      O   HB    THR   23 - HN    THR   23   3.68 +/- 0.25  29.436% * 60.5275% (1.00  10.0   3.95  19.24) =  41.876%  kept
          HA    LEU   80 - HN    THR   23  13.04 +/- 7.05   2.667% *  2.6043% (0.95   1.0   0.91   0.91) =   0.163%  kept
          HA    ASP-  78 - HN    THR   23  14.87 +/- 4.41   0.703% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  21.91 +/- 3.02   0.170% *  0.0560% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.735, support = 0.02, residual support = 0.177:
          HA    ALA   20 - HN    THR   23   5.77 +/- 0.48  92.998% * 46.5057% (0.73   0.02   0.19) =  92.030%  kept
          HA    LEU   71 - HN    THR   23  14.67 +/- 1.80   7.002% * 53.4943% (0.84   0.02   0.02) =   7.970%  kept
    Distance limit 3.96 A violated in 15 structures by 1.81 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.18, residual support = 13.1:
          HB    THR   26 - HN    THR   23   3.95 +/- 0.26  92.525% * 91.2887% (0.99   2.19  13.11) =  99.720%  kept
          HA    ASP-  62 - HN    THR   23  16.12 +/- 3.09   2.745% *  7.9518% (0.97   0.20   0.02) =   0.258%  kept
          HA    SER  117 - HN    THR   23  25.23 +/- 5.45   2.639% *  0.6119% (0.73   0.02   0.02) =   0.019%
          HA    SER   82 - HN    THR   23  17.67 +/- 6.53   2.091% *  0.1476% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.69 A violated in 0 structures by 0.28 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.6, residual support = 94.7:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  97.957% * 99.7763% (0.98  10.0   2.60  94.71) =  99.998%  kept
          HZ2   TRP   87 - HD22  ASN   28  13.55 +/- 6.33   1.177% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  15.26 +/- 4.61   0.590% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  17.49 +/- 3.42   0.225% *  0.0418% (0.41   1.0   0.02   0.23) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.54 +/- 3.23   0.051% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.88, residual support = 32.4:
        T HN    ASN   28 - HN    GLU-  29   2.88 +/- 0.07  90.292% * 99.0251% (0.76 10.00   4.89  32.38) =  99.918%  kept
          HN    GLU-  25 - HN    GLU-  29   6.43 +/- 0.35   8.486% *  0.8502% (0.73  1.00   0.18   0.02) =   0.081%
          HN    ASP-  44 - HN    GLU-  29  14.93 +/- 2.14   0.798% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  19.57 +/- 2.85   0.424% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.23, residual support = 51.5:
        T HN    LEU   31 - HN    GLN   30   2.58 +/- 0.09  97.114% * 98.4622% (0.73 10.00   7.23  51.48) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   30  25.93 +/- 3.10   0.115% *  1.3086% (0.97 10.00   0.02   0.02) =   0.002%
          HN    ASP-  62 - HN    GLN   30  18.31 +/- 2.18   0.327% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  21.43 +/- 4.99   0.276% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.89 +/- 3.41   1.020% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.15 +/- 3.25   0.135% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.55 +/- 2.98   0.368% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  18.43 +/- 4.04   0.342% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.53 +/- 3.19   0.133% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.31 +/- 3.39   0.170% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 44.5:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.14  96.650% * 99.0995% (0.98 10.00   5.85  44.53) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  27.92 +/- 2.94   0.113% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   9.24 +/- 0.51   2.555% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.08 +/- 1.86   0.284% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.28 +/- 3.14   0.126% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  22.62 +/- 5.70   0.273% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 45.3:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  98.827% * 99.4510% (0.87  10.0   1.00  45.30) =  99.997%  kept
          HE22  GLN   17 - HE21  GLN   32  19.98 +/- 5.84   1.094% *  0.2248% (0.98   1.0   0.02   0.02) =   0.003%
          HE22  GLN   90 - HE21  GLN   32  31.66 +/- 5.05   0.020% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  27.24 +/- 5.60   0.039% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  32.26 +/- 3.97   0.020% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 45.3:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  97.114% * 98.9152% (0.83  10.0 10.00   1.00  45.30) =  99.998%  kept
        T HE21  GLN   32 - HE22  GLN   17  19.98 +/- 5.84   1.075% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HE22  GLN   90   9.99 +/- 2.84   0.871% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  25.34 +/- 6.89   0.065% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  31.66 +/- 5.05   0.020% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  16.88 +/- 3.49   0.168% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  21.98 +/- 4.84   0.114% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  24.82 +/- 2.66   0.039% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.03 +/- 3.35   0.284% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.18 +/- 3.16   0.017% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  22.32 +/- 3.48   0.064% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.53 +/- 3.03   0.019% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  22.68 +/- 4.04   0.068% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  27.25 +/- 4.40   0.042% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  25.68 +/- 5.21   0.040% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.898, support = 5.77, residual support = 50.6:
          HN    GLU-  36 - HN    ASN   35   2.43 +/- 0.11  90.865% * 76.7686% (0.90   5.87  51.80) =  97.652%  kept
          HN    THR   39 - HN    ASN   35   5.69 +/- 0.56   7.419% * 22.5692% (0.97   1.60   0.02) =   2.344%  kept
          HN    LYS+ 102 - HN    ASN   35  14.59 +/- 4.60   0.785% *  0.2117% (0.73   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    ASN   35  12.66 +/- 0.41   0.666% *  0.1198% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  21.97 +/- 5.13   0.194% *  0.2857% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  26.96 +/- 2.38   0.071% *  0.0450% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 54.3:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.27) = 100.000%  kept
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 54.3:
      O   HA    ASN   35 - HN    ASN   35   2.82 +/- 0.04  87.153% * 99.5029% (0.98  10.0   4.55  54.27) =  99.993%  kept
          HA    LYS+  99 - HN    ASN   35  11.64 +/- 3.45   2.476% *  0.0910% (0.90   1.0   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    ASN   35  12.06 +/- 2.87   5.598% *  0.0313% (0.31   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    ASN   35   8.97 +/- 1.03   3.051% *  0.0494% (0.49   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    ASN   35  25.54 +/- 7.24   0.345% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  15.62 +/- 3.32   0.948% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.80 +/- 2.70   0.119% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  22.68 +/- 3.23   0.224% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.35 +/- 2.80   0.086% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.4, residual support = 158.8:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.334% * 99.6989% (0.90  10.0   2.40 158.85) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   7.94 +/- 1.00   1.239% *  0.1102% (0.99   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HE22  GLN   30  21.83 +/- 4.84   0.269% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  16.43 +/- 2.10   0.158% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.4, residual support = 158.8:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.691% * 99.8775% (0.92  10.0 10.00   2.40 158.85) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  15.42 +/- 2.39   0.223% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  21.23 +/- 3.46   0.086% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.535, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.91 +/- 2.28  17.639% *  6.4793% (0.25   0.02   0.02) =  32.910%  kept
          HA    GLN   90 - HN    GLN   30  22.43 +/- 4.02   2.776% * 25.0767% (0.97   0.02   0.02) =  20.042%  kept
          HA    ALA  110 - HN    GLN   30  25.38 +/- 2.60   1.796% * 25.9267% (1.00   0.02   0.02) =  13.412%  kept
          HA    PHE   55 - HN    GLN   30  27.27 +/- 3.16   1.730% * 21.7040% (0.84   0.02   0.02) =  10.810%  kept
          HA    VAL  107 - HN    GLN   30  21.97 +/- 2.29   2.746% *  8.8635% (0.34   0.02   0.02) =   7.009%  kept
          HA    VAL   42 - HN    LYS+  99   8.18 +/- 1.96  48.967% *  0.4257% (0.02   0.02   0.02) =   6.002%  kept
          HA    ALA   91 - HN    GLN   30  24.33 +/- 3.48   2.137% *  5.7850% (0.22   0.02   0.02) =   3.560%  kept
          HA    VAL  107 - HN    LYS+  99  14.01 +/- 0.85  10.518% *  0.5823% (0.02   0.02   0.02) =   1.764%  kept
          HA    GLN   90 - HN    LYS+  99  20.87 +/- 2.31   3.391% *  1.6475% (0.06   0.02   0.02) =   1.609%  kept
          HA    ALA  110 - HN    LYS+  99  20.84 +/- 1.40   3.088% *  1.7034% (0.07   0.02   0.02) =   1.515%  kept
          HA    PHE   55 - HN    LYS+  99  26.63 +/- 3.20   2.652% *  1.4259% (0.05   0.02   0.02) =   1.089%  kept
          HA    ALA   91 - HN    LYS+  99  22.23 +/- 1.37   2.560% *  0.3801% (0.01   0.02   0.02) =   0.280%  kept
    Distance limit 4.29 A violated in 20 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.788, support = 4.71, residual support = 37.9:
          HN    ALA   34 - HN    LYS+  33   2.41 +/- 0.11  57.656% * 79.2236% (0.90   4.61  42.05) =  84.398%  kept
          HN    GLN   32 - HN    LYS+  33   2.70 +/- 0.16  42.162% * 20.0262% (0.20   5.28  15.28) =  15.601%  kept
          HN    LEU   80 - HN    LYS+  33  21.41 +/- 4.99   0.132% *  0.3701% (0.97   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  33  26.97 +/- 3.06   0.049% *  0.3801% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.3:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.623% * 99.5403% (0.73  10.0   2.00  54.27) = 100.000%  kept
          HD1   TRP   49 - HD22  ASN   35  30.74 +/- 5.81   0.089% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HD22  ASN   35  20.80 +/- 2.16   0.064% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.71 +/- 2.31   0.079% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.96 +/- 1.43   0.080% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  21.09 +/- 2.06   0.064% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 51.8:
        T HN    ASN   35 - HN    GLU-  36   2.43 +/- 0.11  97.343% * 99.7986% (0.99 10.00   5.87  51.80) =  99.998%  kept
          HN    ALA   12 - HN    GLU-  36  16.79 +/- 5.18   2.009% *  0.0651% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    LYS+  99 - HN    GLU-  36  14.89 +/- 3.48   0.648% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
    Distance limit 3.41 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 = 0.436, support = 4.06, residual support = 12.0:
          HN    GLU-  36 - HN    SER   37   2.57 +/- 0.14  69.330% * 31.6530% (0.25   4.47  18.93) =  53.064%  kept
          HN    THR   39 - HN    SER   37   3.51 +/- 0.30  29.261% * 66.3238% (0.65   3.61   4.17) =  46.927%  kept
          HN    TRP   27 - HN    SER   37  14.94 +/- 0.70   0.359% *  0.5634% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  20.41 +/- 2.59   0.171% *  0.3904% (0.69   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    SER   37  15.56 +/- 4.39   0.564% *  0.0769% (0.14   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  23.83 +/- 4.58   0.118% *  0.3448% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  22.95 +/- 5.79   0.144% *  0.2133% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  28.43 +/- 1.56   0.054% *  0.4344% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.912, support = 5.05, residual support = 21.9:
          HN    THR   39 - HN    LYS+  38   2.74 +/- 0.12  68.945% * 80.2638% (0.95   5.34  23.85) =  90.968%  kept
          HN    GLU-  36 - HN    LYS+  38   3.67 +/- 0.17  29.211% * 18.7992% (0.57   2.09   2.50) =   9.027%  kept
          HN    LYS+ 102 - HN    LYS+  38  14.49 +/- 4.74   0.819% *  0.1192% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.76 +/- 0.78   0.381% *  0.2427% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  23.57 +/- 4.58   0.144% *  0.2932% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  20.14 +/- 2.78   0.243% *  0.1083% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  28.09 +/- 1.45   0.066% *  0.1306% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  22.42 +/- 5.93   0.190% *  0.0430% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 49.6:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.03  63.825% * 82.0624% (0.38  10.0   4.70  51.80) =  93.355%  kept
          HA    SER   37 - HN    GLU-  36   5.10 +/- 0.13  22.244% * 16.6547% (0.38   1.0   4.06  18.93) =   6.603%  kept
          HA    GLU-  15 - HN    GLU-  36  11.88 +/- 2.87   4.406% *  0.2068% (0.95   1.0   0.02   0.02) =   0.016%
          HA    LEU   40 - HN    GLU-  36  10.01 +/- 0.65   3.036% *  0.2187% (1.00   1.0   0.02   0.02) =   0.012%
          HA    SER   13 - HN    GLU-  36  14.93 +/- 3.29   1.855% *  0.2068% (0.95   1.0   0.02   0.02) =   0.007%
          HA    GLN   17 - HN    GLU-  36  14.80 +/- 2.12   1.469% *  0.0821% (0.38   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    GLU-  36  12.96 +/- 3.34   2.135% *  0.0545% (0.25   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLU-  36  23.91 +/- 3.24   0.280% *  0.2110% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU-  36  26.73 +/- 7.36   0.407% *  0.1150% (0.53   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  25.16 +/- 1.59   0.193% *  0.0980% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.21 +/- 2.70   0.148% *  0.0899% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.05, residual support = 86.3:
      O   HA    GLU-  36 - HN    GLU-  36   2.80 +/- 0.04  99.082% * 99.7892% (0.69  10.0   6.05  86.34) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  20.84 +/- 2.43   0.303% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  27.74 +/- 8.73   0.490% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  27.60 +/- 4.10   0.126% *  0.0822% (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 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.47, residual support = 29.7:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.02  87.562% * 99.4774% (0.97  10.0   4.47  29.74) =  99.990%  kept
          HA    GLU-  15 - HN    SER   37  10.99 +/- 2.97   4.556% *  0.0748% (0.73   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    SER   37   8.49 +/- 0.52   3.724% *  0.0542% (0.53   1.0   0.02   0.49) =   0.002%
          HA    GLN   17 - HN    SER   37  13.59 +/- 2.18   1.421% *  0.0995% (0.97   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    SER   37  14.37 +/- 3.21   1.501% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.81 +/- 0.57   0.838% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  22.80 +/- 3.25   0.246% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.51 +/- 1.44   0.153% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.9:
      O   HA    GLU-  36 - HN    SER   37   3.49 +/- 0.06  99.077% * 99.6452% (0.34  10.0   4.29  18.93) =  99.998%  kept
          HA    LYS+  66 - HN    SER   37  19.40 +/- 2.30   0.692% *  0.2819% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HN    SER   37  27.55 +/- 3.34   0.231% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.95, residual support = 20.6:
      O   HA    SER   37 - HN    LYS+  38   3.41 +/- 0.05  78.151% * 95.0977% (0.73  10.0   4.97  20.73) =  99.541%  kept
          HA    LEU   40 - HN    LYS+  38   7.41 +/- 0.25   7.705% *  4.2504% (0.84   1.0   0.78   0.76) =   0.439%  kept
          HA    GLU-  15 - HN    LYS+  38  11.81 +/- 3.06   7.265% *  0.1264% (0.97   1.0   0.02   0.02) =   0.012%
          HA    GLN   17 - HN    LYS+  38  13.94 +/- 2.51   2.528% *  0.0951% (0.73   1.0   0.02   0.02) =   0.003%
          HA    SER   13 - HN    LYS+  38  15.42 +/- 3.45   1.764% *  0.1264% (0.97   1.0   0.02   0.02) =   0.003%
          HA    PRO   58 - HN    LYS+  38  22.50 +/- 3.44   0.377% *  0.1239% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  13.25 +/- 0.45   1.347% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.38 +/- 1.34   0.220% *  0.1049% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  25.12 +/- 7.56   0.456% *  0.0292% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.85 +/- 3.01   0.187% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 2.07, residual support = 2.49:
          HA    GLU-  36 - HN    LYS+  38   4.20 +/- 0.32  96.684% * 97.9379% (0.97   2.07   2.50) =  99.984%  kept
          HA    ALA  124 - HN    LYS+  38  26.12 +/- 8.84   1.313% *  0.4780% (0.49   0.02   0.02) =   0.007%
          HA    LYS+  66 - HN    LYS+  38  19.42 +/- 2.13   1.232% *  0.3349% (0.34   0.02   0.02) =   0.004%
          HA    LYS+  81 - HN    LYS+  38  27.56 +/- 3.11   0.395% *  0.8806% (0.90   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    LYS+  38  27.97 +/- 3.52   0.376% *  0.3685% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 37.9:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.05  96.682% * 99.4345% (1.00  10.0   3.80  37.86) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  14.47 +/- 3.42   1.086% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    THR   39  19.09 +/- 5.19   0.796% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.84 +/- 0.55   0.483% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.24 +/- 3.20   0.283% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  23.60 +/- 1.41   0.180% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  29.32 +/- 4.33   0.153% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  23.36 +/- 2.15   0.205% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  26.93 +/- 3.22   0.132% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 4.32, residual support = 24.9:
      O   HA    THR   39 - HN    LEU   40   2.25 +/- 0.06  97.860% * 99.4345% (1.00  10.0   4.32  24.91) =  99.999%  kept
          HA    ILE  103 - HN    LEU   40  12.58 +/- 3.39   0.796% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   40  14.02 +/- 0.90   0.424% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.23 +/- 3.39   0.243% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  22.26 +/- 2.26   0.117% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.24 +/- 4.67   0.214% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  21.03 +/- 2.79   0.171% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  26.50 +/- 4.47   0.097% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  25.19 +/- 2.81   0.078% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.2, residual support = 104.0:
      O   HA    LEU   40 - HN    LEU   40   2.84 +/- 0.05  77.134% * 95.4199% (1.00  10.0   5.21 104.35) =  99.665%  kept
          HA    LYS+  99 - HN    LEU   40   8.13 +/- 4.48   9.619% *  1.7076% (0.25   1.0   1.44   9.48) =   0.222%  kept
          HA    SER   37 - HN    LEU   40   8.22 +/- 0.26   3.242% *  2.3960% (0.38   1.0   1.34   0.49) =   0.105%  kept
          HA    GLU-  15 - HN    LEU   40  11.89 +/- 3.45   2.610% *  0.0903% (0.95   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    LEU   40   8.51 +/- 0.79   3.067% *  0.0358% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   40  11.21 +/- 3.66   2.195% *  0.0358% (0.38   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  17.67 +/- 3.10   0.553% *  0.0921% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  16.88 +/- 3.06   0.494% *  0.0903% (0.95   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LEU   40  20.73 +/- 7.31   0.616% *  0.0502% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  19.81 +/- 1.72   0.253% *  0.0428% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.79 +/- 3.04   0.218% *  0.0392% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.5, residual support = 75.9:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.02  98.386% * 99.4222% (0.22  10.0   4.50  75.92) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.29 +/- 0.50   0.859% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  21.45 +/- 1.49   0.271% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.20 +/- 2.13   0.484% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 0.997, support = 5.11, residual support = 20.7:
      O   HA    LEU   40 - HN    VAL   41   2.26 +/- 0.06  77.581% * 97.4275% (1.00  10.0   5.13  20.77) =  99.569%  kept
          HA    LYS+  99 - HN    VAL   41   5.48 +/- 3.67  15.811% *  2.0495% (0.25   1.0   1.69   0.02) =   0.427%  kept
          HA    GLN   17 - HN    VAL   41  12.30 +/- 4.59   2.259% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  13.40 +/- 3.58   0.895% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    VAL   41   9.08 +/- 1.72   1.456% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    VAL   41  17.11 +/- 3.10   0.304% *  0.0940% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.70 +/- 3.89   0.302% *  0.0922% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.86 +/- 0.62   0.728% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  20.37 +/- 6.93   0.338% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.38 +/- 1.04   0.182% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.70 +/- 3.25   0.145% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.31, residual support = 22.2:
        T HN    LEU   98 - HN    VAL   41   5.43 +/- 3.11 100.000% *100.0000% (0.97 10.00   5.31  22.23) = 100.000%  kept
    Distance limit 4.18 A violated in 5 structures by 1.51 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.15, residual support = 4.53:
          HA    PHE   72 - HN    VAL   42   3.72 +/- 0.93 100.000% *100.0000% (0.22   1.15   4.53) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.21 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.28, residual support = 28.7:
      O   HA    VAL   41 - HN    VAL   42   2.27 +/- 0.08  98.410% * 99.4222% (0.22  10.0   5.28  28.72) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.58 +/- 0.42   1.003% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   42  17.89 +/- 0.95   0.214% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  15.66 +/- 2.22   0.374% *  0.0689% (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 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 88.5:
      O   HA    VAL   42 - HN    VAL   42   2.91 +/- 0.03  93.144% * 99.6568% (0.87  10.0   5.45  88.48) =  99.997%  kept
          HA    GLN   17 - HN    VAL   42  11.02 +/- 4.73   3.731% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    VAL   42  17.71 +/- 1.88   0.459% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.33 +/- 0.52   0.991% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.19 +/- 2.40   0.473% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  21.07 +/- 2.13   0.282% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.70 +/- 0.71   0.922% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.97, residual support = 38.2:
      O   HA    VAL   42 - HN    VAL   43   2.25 +/- 0.06  96.875% * 99.7026% (1.00  10.0   4.97  38.25) =  99.998%  kept
          HA    GLN   17 - HN    VAL   43  13.86 +/- 4.73   1.012% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   43  11.37 +/- 0.97   0.933% *  0.0566% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   43  16.92 +/- 0.63   0.232% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.37 +/- 1.82   0.435% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  20.00 +/- 2.18   0.170% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.28 +/- 1.72   0.342% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.276, support = 2.57, residual support = 4.98:
          HA    LYS+  74 - HN    ASP-  44   4.95 +/- 0.51  72.817% * 83.5302% (0.28   2.66   5.20) =  95.810%  kept
          HA    VAL   41 - HN    ASP-  44   8.10 +/- 0.52  18.873% * 13.3243% (0.20   0.60   0.02) =   3.961%  kept
          HA    MET   92 - HN    ASP-  44  11.83 +/- 1.03   6.064% *  1.9580% (0.87   0.02   0.02) =   0.187%  kept
          HA    HIS  122 - HN    ASP-  44  17.47 +/- 3.92   2.247% *  1.1876% (0.53   0.02   0.02) =   0.042%
    Distance limit 3.73 A violated in 4 structures by 1.15 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.9, residual support = 16.7:
      O   HA    VAL   43 - HN    ASP-  44   2.22 +/- 0.07  96.945% * 99.8182% (0.87  10.0   3.90  16.67) =  99.998%  kept
          HA    LEU   71 - HN    ASP-  44   9.72 +/- 1.21   1.405% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASP-  44  12.42 +/- 1.97   1.071% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    ASP-  44  13.68 +/- 1.67   0.578% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.83, residual support = 40.0:
      O   HA    ASP-  44 - HN    ASP-  44   2.89 +/- 0.04  92.901% * 98.9185% (0.49  10.0   3.83  40.03) =  99.991%  kept
          HB    THR   77 - HN    ASP-  44  10.19 +/- 1.43   2.635% *  0.0835% (0.41   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP-  44  15.36 +/- 2.76   0.810% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    ASP-  44  14.68 +/- 1.17   0.764% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.25 +/- 1.02   1.347% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  19.11 +/- 3.20   0.405% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  15.28 +/- 1.98   0.730% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  23.79 +/- 3.90   0.227% *  0.2032% (1.00   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP-  44  26.00 +/- 4.57   0.181% *  0.1069% (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 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.44, residual support = 27.3:
        T HN    THR   94 - HN    PHE   45   3.22 +/- 0.81  90.782% * 99.8815% (0.84 10.00   3.44  27.34) =  99.988%  kept
          HN    GLU-  79 - HN    PHE   45  10.25 +/- 1.84   9.218% *  0.1185% (0.99  1.00   0.02   0.02) =   0.012%
    Distance limit 4.15 A violated in 1 structures by 0.09 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.75, residual support = 80.1:
          QD    PHE   45 - HN    PHE   45   2.30 +/- 0.63  98.183% * 98.5724% (0.53   5.75  80.13) =  99.990%  kept
          HD2   HIS  122 - HN    PHE   45  14.42 +/- 3.13   1.020% *  0.6293% (0.97   0.02   0.02) =   0.007%
          HE22  GLN  116 - HN    PHE   45  16.67 +/- 3.51   0.411% *  0.6169% (0.95   0.02   0.02) =   0.003%
          HE22  GLN   17 - HN    PHE   45  19.51 +/- 4.19   0.386% *  0.1813% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.67 +/- 0.86 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.61 A violated in 0 structures by 0.08 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.96, residual support = 80.1:
      O   HA    PHE   45 - HN    PHE   45   2.90 +/- 0.06  96.184% * 99.9134% (0.99  10.0   3.96  80.13) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.84 +/- 0.52   1.465% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.85 +/- 1.77   1.834% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.83 +/- 3.07   0.518% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 19.1:
      O   HA    ASP-  44 - HN    PHE   45   2.31 +/- 0.08  89.093% * 97.6563% (1.00  10.0   4.07  19.10) =  99.925%  kept
          HB    THR   77 - HN    PHE   45   8.58 +/- 2.41   3.502% *  1.7613% (0.99   1.0   0.36  10.17) =   0.071%
          HA    GLU-  79 - HN    PHE   45  11.97 +/- 2.30   3.796% *  0.0592% (0.61   1.0   0.02   0.02) =   0.003%
          HA    SER   85 - HN    PHE   45  13.24 +/- 1.42   0.535% *  0.0968% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    PHE   45  13.28 +/- 1.02   0.516% *  0.0924% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    PHE   45  12.03 +/- 3.03   1.336% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  14.28 +/- 1.58   0.439% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  15.12 +/- 1.28   0.341% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.93 +/- 0.96   0.200% *  0.0514% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.55 +/- 4.54   0.056% *  0.0974% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.70 +/- 3.13   0.117% *  0.0367% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.36 +/- 3.94   0.069% *  0.0475% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.38, residual support = 12.3:
          QD    PHE   45 - HN    THR   46   4.41 +/- 0.36  87.150% * 91.3465% (0.22   4.39  12.38) =  99.759%  kept
          HE22  GLN   17 - HN    THR   46  19.74 +/- 4.69   1.874% *  4.3781% (0.61   0.08   0.02) =   0.103%  kept
          HE22  GLN  116 - HN    THR   46  18.00 +/- 3.93   2.922% *  1.8034% (0.97   0.02   0.02) =   0.066%
          HD2   HIS  122 - HN    THR   46  16.21 +/- 2.47   2.283% *  1.7677% (0.95   0.02   0.02) =   0.051%
          HE22  GLN   90 - HN    THR   46  13.87 +/- 2.70   5.207% *  0.2883% (0.15   0.02   0.02) =   0.019%
          HE22  GLN   32 - HN    THR   46  25.02 +/- 3.09   0.564% *  0.4160% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.55 A violated in 0 structures by 0.09 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.7, residual support = 3.68:
          HA    ASP-  76 - HN    THR   46   6.16 +/- 3.10  75.258% * 98.7986% (0.53   2.71   3.70) =  99.602%  kept
          HA    LEU   67 - HN    THR   46  14.30 +/- 3.77  24.742% *  1.2014% (0.87   0.02   0.02) =   0.398%  kept
    Distance limit 4.06 A violated in 12 structures by 2.35 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.96, residual support = 12.4:
      O   HA    PHE   45 - HN    THR   46   2.28 +/- 0.08  95.884% * 99.9017% (0.76  10.0   3.96  12.38) =  99.998%  kept
          HA    ASP-  78 - HN    THR   46   9.76 +/- 3.04   2.428% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    THR   46  14.59 +/- 3.31   1.243% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.06 +/- 1.05   0.445% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.1:
      O   HA    THR   46 - HN    THR   46   2.89 +/- 0.05  85.937% * 99.4016% (0.57  10.0   3.25  34.15) =  99.988%  kept
          HA    GLN   90 - HN    THR   46   9.36 +/- 2.39   9.774% *  0.0599% (0.34   1.0   0.02   0.02) =   0.007%
          HA    VAL   42 - HN    THR   46  11.55 +/- 1.09   1.607% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   46  15.10 +/- 1.43   0.659% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  17.35 +/- 4.15   0.523% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  12.82 +/- 2.55   1.345% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  24.15 +/- 1.50   0.154% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 3.37, residual support = 11.0:
          HN    THR   77 - HN    THR   46   5.83 +/- 3.55 100.000% *100.0000% (1.00   3.37  10.96) = 100.000%  kept
    Distance limit 4.72 A violated in 7 structures by 1.96 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 2.29, residual support = 10.7:
      O   HA    ALA   47 - HN    ALA   47   2.91 +/- 0.02  66.281% * 96.8065% (0.90  10.0   2.31  10.73) =  98.802%  kept
          HA    CYS   50 - HN    ALA   47   4.97 +/- 1.61  26.319% *  2.9393% (0.73   1.0   0.75   7.13) =   1.191%  kept
          HA    TRP   49 - HN    ALA   47   7.14 +/- 0.34   4.606% *  0.0568% (0.53   1.0   0.02  16.12) =   0.004%
          HA    VAL  108 - HN    ALA   47  12.60 +/- 2.35   1.028% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    ALA   47  14.12 +/- 2.72   0.911% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  16.92 +/- 3.15   0.855% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 11.2:
      O   HA    THR   46 - HN    ALA   47   2.51 +/- 0.18  93.252% * 99.4016% (0.57  10.0   3.07  11.18) =  99.995%  kept
          HA    GLN   90 - HN    ALA   47  10.72 +/- 2.60   3.296% *  0.0599% (0.34   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    ALA   47  14.91 +/- 1.35   0.512% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    ALA   47  12.36 +/- 1.63   0.938% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  12.32 +/- 3.63   1.631% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  19.62 +/- 4.06   0.284% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  27.23 +/- 2.27   0.087% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.09, residual support = 14.1:
        T HN    TRP   49 - HN    SER   48   2.60 +/- 0.12  79.669% * 93.5124% (0.84 10.00   4.13  14.36) =  98.357%  kept
          HN    CYS   50 - HN    SER   48   4.55 +/- 0.84  19.386% *  6.4194% (0.61  1.00   1.89   0.02) =   1.643%  kept
          HN    VAL   83 - HN    SER   48  15.36 +/- 4.19   0.671% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  19.40 +/- 3.29   0.275% *  0.0460% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 6.31:
      O   HA    ALA   47 - HN    SER   48   2.30 +/- 0.08  86.119% * 88.1854% (0.90  10.0   2.21   6.26) =  98.952%  kept
          HA    TRP   49 - HN    SER   48   5.14 +/- 0.14   7.870% *  8.0666% (0.53   1.0   3.12  14.36) =   0.827%  kept
          HA    CYS   50 - HN    SER   48   6.37 +/- 0.86   4.728% *  3.5682% (0.73   1.0   1.00   0.02) =   0.220%  kept
          HA    VAL  108 - HN    SER   48  15.57 +/- 2.10   0.372% *  0.0787% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  17.01 +/- 2.74   0.309% *  0.0675% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  17.42 +/- 3.72   0.602% *  0.0335% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 85.0:
          HD1   TRP   49 - HN    TRP   49   2.74 +/- 0.87  80.126% * 93.8626% (0.92   4.88  85.26) =  99.667%  kept
          QE    PHE   95 - HN    TRP   49  11.53 +/- 2.58   4.306% *  4.7673% (0.65   0.35   0.02) =   0.272%  kept
          HD2   HIS   22 - HN    TRP   49  18.85 +/- 5.25   9.103% *  0.3334% (0.80   0.02   0.02) =   0.040%
          HN    LEU   67 - HN    TRP   49  16.66 +/- 5.34   2.539% *  0.4082% (0.98   0.02   0.02) =   0.014%
          QD    PHE   55 - HN    TRP   49  12.26 +/- 1.43   2.441% *  0.1038% (0.25   0.02   0.02) =   0.003%
          HN    THR   23 - HN    TRP   49  18.26 +/- 4.34   0.665% *  0.2860% (0.69   0.02   0.02) =   0.003%
          HE3   TRP   27 - HN    TRP   49  19.29 +/- 3.82   0.593% *  0.0824% (0.20   0.02   0.02) =   0.001%
          HD21  ASN   35 - HN    TRP   49  29.78 +/- 5.25   0.227% *  0.1563% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 4.13, residual support = 14.4:
        T HN    SER   48 - HN    TRP   49   2.60 +/- 0.12 100.000% *100.0000% (0.84 10.00   4.13  14.36) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.94, support = 2.26, residual support = 6.98:
      O   HA    CYS   50 - HN    CYS   50   2.49 +/- 0.32  56.613% * 52.0065% (0.98  10.0   2.03   7.78) =  65.706%  kept
      O   HA    TRP   49 - HN    CYS   50   3.25 +/- 0.43  33.014% * 46.0232% (0.87  10.0   2.71   5.41) =  33.909%  kept
          HA    ALA   47 - HN    CYS   50   5.00 +/- 1.14   9.365% *  1.8407% (0.57   1.0   1.23   7.13) =   0.385%  kept
          HA1   GLY  109 - HN    CYS   50  16.94 +/- 3.62   0.380% *  0.0512% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.54 +/- 4.19   0.281% *  0.0364% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  16.12 +/- 2.92   0.266% *  0.0238% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.75 +/- 3.61   0.081% *  0.0181% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.859, support = 4.48, residual support = 79.3:
      O   HA    TRP   49 - HN    TRP   49   2.87 +/- 0.06  57.477% * 79.0643% (0.87  10.0   4.61  85.26) =  92.026%  kept
          HA    ALA   47 - HN    TRP   49   3.78 +/- 0.27  26.470% *  7.8488% (0.57   1.0   3.04  16.12) =   4.207%  kept
          HA    CYS   50 - HN    TRP   49   4.75 +/- 0.51  14.453% * 12.8643% (0.98   1.0   2.88   5.41) =   3.765%  kept
          HA    CYS   21 - HN    TRP   49  18.86 +/- 3.95   0.721% *  0.0626% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    TRP   49  17.50 +/- 3.08   0.361% *  0.0880% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    TRP   49  16.50 +/- 2.36   0.380% *  0.0409% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.68 +/- 3.55   0.139% *  0.0311% (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 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.32, residual support = 85.3:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  89.729% * 99.6863% (0.92  10.0   2.32  85.26) =  99.994%  kept
          HD2   HIS   22 - HE1   TRP   49  19.91 +/- 4.79   2.731% *  0.1070% (0.99   1.0   0.02   0.02) =   0.003%
          QE    PHE   95 - HE1   TRP   49  11.44 +/- 2.58   6.022% *  0.0240% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HE1   TRP   49  17.64 +/- 5.03   0.643% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.08 +/- 5.25   0.226% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  18.93 +/- 4.14   0.649% *  0.0269% (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 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 1.37, residual support = 1.34:
      O   HA    CYS   50 - HN    GLY   51   2.84 +/- 0.47  70.894% * 95.0186% (0.98  10.0   1.38   1.36) =  98.555%  kept
          HA    TRP   49 - HN    GLY   51   5.01 +/- 0.83  21.525% *  4.5583% (0.87   1.0   0.75   0.02) =   1.436%  kept
          HA    ALA   47 - HN    GLY   51   7.70 +/- 1.48   5.745% *  0.0796% (0.57   1.0   0.02   0.02) =   0.007%
          HA1   GLY  109 - HN    GLY   51  16.93 +/- 4.74   0.726% *  0.1357% (0.97   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY   51  21.46 +/- 4.37   0.481% *  0.0966% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    GLY   51  16.74 +/- 3.76   0.488% *  0.0631% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.32 +/- 3.65   0.142% *  0.0480% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 2.77, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.46 +/- 0.25  95.693% * 99.5416% (0.92  10.0   2.77  10.14) =  99.997%  kept
          HA    ALA   57 - HN    GLY   51  10.93 +/- 1.65   1.544% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    GLY   51  17.96 +/- 4.44   0.568% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  14.51 +/- 3.84   0.739% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.68 +/- 1.34   0.524% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  19.33 +/- 2.92   0.313% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  27.16 +/- 4.12   0.107% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.71 +/- 3.49   0.184% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  20.15 +/- 3.53   0.241% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  35.34 +/- 7.62   0.087% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.979, support = 6.15, residual support = 31.5:
        T HN    ARG+  54 - HN    CYS   53   2.69 +/- 0.14  96.610% * 86.8290% (0.98 10.00   6.18  31.64) =  99.529%  kept
        T HN    ASP-  62 - HN    CYS   53  11.71 +/- 2.73   3.044% * 13.0397% (0.73 10.00   0.41   0.02) =   0.471%  kept
          HN    LEU   31 - HN    CYS   53  24.22 +/- 3.17   0.217% *  0.0573% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  28.29 +/- 3.69   0.129% *  0.0740% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.17, residual support = 31.6:
        T HN    CYS   53 - HN    ARG+  54   2.69 +/- 0.14  94.951% * 96.1500% (0.85 10.00   6.18  31.64) =  99.880%  kept
        T HN    CYS   53 - HN    ASP-  62  11.71 +/- 2.73   2.992% *  3.6471% (0.16 10.00   0.41   0.02) =   0.119%  kept
          HN    LEU   80 - HN    ARG+  54  18.78 +/- 4.22   0.506% *  0.0736% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  24.56 +/- 4.63   0.262% *  0.0366% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.51 +/- 2.90   0.135% *  0.0607% (0.54  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  17.17 +/- 1.94   0.420% *  0.0138% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  18.58 +/- 1.79   0.343% *  0.0114% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  19.27 +/- 3.29   0.391% *  0.0068% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.514, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ARG+  54  21.82 +/- 5.63  12.956% * 31.3037% (0.72   0.02   0.02) =  32.688%  kept
          HN    TRP   87 - HN    ARG+  54  21.39 +/- 2.26  10.779% * 29.7440% (0.69   0.02   0.02) =  25.840%  kept
          HD21  ASN   69 - HN    ASP-  62  14.01 +/- 2.53  30.513% *  5.8573% (0.14   0.02   0.02) =  14.404%  kept
          HN    GLN   17 - HN    ARG+  54  23.64 +/- 3.28   6.439% * 23.1904% (0.54   0.02   0.02) =  12.034%  kept
          HN    GLN   17 - HN    ASP-  62  15.31 +/- 3.47  26.295% *  4.3392% (0.10   0.02   0.02) =   9.196%  kept
          HN    TRP   87 - HN    ASP-  62  19.85 +/- 2.54  13.016% *  5.5654% (0.13   0.02   0.02) =   5.838%  kept
    Distance limit 3.89 A violated in 20 structures by 7.75 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.93, residual support = 22.0:
          HN    PHE   55 - HN    ILE   56   2.65 +/- 0.20  91.443% * 99.1142% (0.95   3.93  21.98) =  99.993%  kept
          HN    ASP-  62 - HN    ILE   56   9.47 +/- 1.13   2.579% *  0.1647% (0.31   0.02   0.02) =   0.005%
          HN    ALA   88 - HN    ILE   56  21.99 +/- 2.57   0.194% *  0.4629% (0.87   0.02   0.02) =   0.001%
          HN    ALA   88 - HZ2   TRP   87   8.47 +/- 0.41   2.995% *  0.0201% (0.04   0.02   4.96) =   0.001%
          HN    LEU   31 - HN    ILE   56  24.08 +/- 2.65   0.150% *  0.2003% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  15.27 +/- 6.89   2.140% *  0.0087% (0.02   0.02   1.71) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  22.99 +/- 2.07   0.158% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  18.35 +/- 2.64   0.342% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.13, residual support = 32.5:
          HN    ALA   57 - HN    ILE   56   3.51 +/- 0.50  86.262% * 92.0005% (0.87   5.14  32.58) =  99.596%  kept
          HE21  GLN  116 - HN    ILE   56  11.54 +/- 2.33   4.213% *  7.4070% (0.80   0.45   0.02) =   0.392%  kept
          HN    ALA  120 - HN    ILE   56  12.44 +/- 1.78   2.880% *  0.1695% (0.41   0.02   0.02) =   0.006%
          HE21  GLN   90 - HN    ILE   56  21.16 +/- 4.70   1.137% *  0.3698% (0.90   0.02   0.02) =   0.005%
          HE21  GLN   90 - HZ2   TRP   87  14.69 +/- 2.00   3.751% *  0.0160% (0.04   0.02   0.02) =   0.001%
          HN    ALA   57 - HZ2   TRP   87  21.13 +/- 2.89   0.603% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  23.42 +/- 4.23   0.637% *  0.0143% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.79 +/- 3.37   0.517% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.35 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.158, support = 5.0, residual support = 124.6:
      O   HA    ILE   56 - HN    ILE   56   2.81 +/- 0.16  82.890% * 87.7502% (0.15  10.0   5.02 125.29) =  99.461%  kept
          HA    PRO   58 - HN    ILE   56   7.69 +/- 0.55   4.163% *  8.9951% (0.95   1.0   0.33   0.02) =   0.512%  kept
          HA    THR   46 - HN    ILE   56  10.67 +/- 2.28   2.470% *  0.4554% (0.80   1.0   0.02   0.02) =   0.015%
          HA    LEU  123 - HN    ILE   56  14.98 +/- 3.60   1.356% *  0.1266% (0.22   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    ILE   56  21.90 +/- 3.63   0.311% *  0.4750% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    ILE   56  20.55 +/- 3.00   0.278% *  0.4130% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    ILE   56  29.37 +/- 4.65   0.187% *  0.5489% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  25.02 +/- 3.04   0.151% *  0.5489% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  17.65 +/- 2.68   0.511% *  0.1125% (0.20   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  28.38 +/- 3.41   0.105% *  0.4130% (0.73   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HZ2   TRP   87  14.54 +/- 2.50   0.995% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  21.07 +/- 6.83   1.025% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  16.52 +/- 5.81   0.789% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  22.28 +/- 6.80   0.619% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  11.82 +/- 4.94   3.008% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  20.71 +/- 3.69   0.371% *  0.0233% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  27.56 +/- 6.84   0.188% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  23.08 +/- 6.46   0.244% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  25.69 +/- 3.75   0.140% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  22.22 +/- 2.66   0.198% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.14, residual support = 32.6:
          HN    ILE   56 - HN    ALA   57   3.51 +/- 0.50  86.382% * 98.5587% (0.98   5.14  32.58) =  99.947%  kept
          HN    LEU   63 - HN    ALA   57   8.45 +/- 0.87   8.204% *  0.3608% (0.92   0.02   0.02) =   0.035%
          HN    LYS+ 111 - HN    ALA   57  13.23 +/- 2.71   3.482% *  0.3505% (0.90   0.02   0.02) =   0.014%
          HN    ALA   84 - HN    ALA   57  20.70 +/- 3.13   0.591% *  0.3505% (0.90   0.02   0.02) =   0.002%
          HD21  ASN   28 - HN    ALA   57  22.39 +/- 3.63   0.540% *  0.1206% (0.31   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   57  21.13 +/- 2.89   0.601% *  0.0685% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  29.24 +/- 3.08   0.200% *  0.1903% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.30 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.32, residual support = 20.2:
        T HN    PHE   60 - HN    PHE   59   2.76 +/- 0.18  94.341% * 97.7864% (0.47 10.00   4.32  20.21) =  99.979%  kept
        T HN    THR  118 - HN    PHE   59   9.61 +/- 0.70   2.363% *  0.6051% (0.29 10.00   0.02  12.36) =   0.015%
        T HN    GLU-  15 - HN    PHE   59  22.60 +/- 3.40   0.255% *  1.5803% (0.76 10.00   0.02   0.02) =   0.004%
          HN    GLN  116 - HN    PHE   59   8.91 +/- 0.77   3.041% *  0.0282% (0.14  1.00   0.02   0.35) =   0.001%
    Distance limit 3.34 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 = 0.26, support = 4.76, residual support = 56.2:
      O   HA    PHE   59 - HN    PHE   59   2.77 +/- 0.07  71.851% * 86.5388% (0.24  10.0   4.95  58.01) =  95.228%  kept
          HA    ILE   56 - HN    PHE   59   4.42 +/- 0.94  25.091% * 12.3930% (0.69   1.0   0.99  20.34) =   4.762%  kept
          HA    ASP- 113 - HN    PHE   59  11.55 +/- 0.93   1.088% *  0.2515% (0.69   1.0   0.02   0.02) =   0.004%
          HA    LEU  123 - HN    PHE   59  12.16 +/- 1.71   1.077% *  0.2245% (0.62   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    PHE   59  20.05 +/- 3.58   0.306% *  0.2779% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  23.82 +/- 3.13   0.151% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  18.14 +/- 3.33   0.437% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.46, residual support = 24.2:
      O   HA    ALA   57 - HN    ALA   57   2.63 +/- 0.18  94.114% * 99.2309% (0.76  10.0   4.46  24.21) =  99.994%  kept
          HA1   GLY   51 - HN    ALA   57  11.13 +/- 1.03   1.559% *  0.1273% (0.98   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    ALA   57  19.80 +/- 4.69   1.336% *  0.1287% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   57  12.14 +/- 2.34   1.321% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  15.87 +/- 3.36   0.700% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   57  21.07 +/- 3.45   0.321% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  21.76 +/- 3.25   0.232% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.84 +/- 6.44   0.240% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.99 +/- 2.76   0.176% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.972, support = 4.67, residual support = 32.4:
      O   HA    ILE   56 - HN    ALA   57   3.05 +/- 0.50  72.917% * 90.7841% (0.99  10.0   4.64  32.58) =  97.088%  kept
          HA    PRO   58 - HN    ALA   57   4.76 +/- 0.32  22.530% *  8.7996% (0.34   1.0   5.63  25.03) =   2.908%  kept
          HA    LEU  123 - HN    ALA   57  13.61 +/- 2.50   1.502% *  0.0914% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ASP- 113 - HN    ALA   57  11.81 +/- 1.16   1.552% *  0.0519% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  21.79 +/- 3.53   0.277% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  19.79 +/- 3.64   0.458% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.43 +/- 3.66   0.185% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  27.35 +/- 4.61   0.320% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  22.97 +/- 3.29   0.260% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 5.26, residual support = 41.3:
        T HN    PHE   60 - HN    ALA   61   2.76 +/- 0.25  96.939% * 97.7864% (0.61 10.00   5.26  41.30) =  99.985%  kept
        T HN    THR  118 - HN    ALA   61  12.01 +/- 1.14   1.269% *  0.6051% (0.38 10.00   0.02   0.02) =   0.008%
        T HN    GLU-  15 - HN    ALA   61  19.10 +/- 3.30   0.413% *  1.5803% (0.98 10.00   0.02   0.02) =   0.007%
          HN    GLN  116 - HN    ALA   61  11.75 +/- 1.39   1.379% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.555, support = 4.24, residual support = 30.6:
          QD    PHE   60 - HN    ALA   61   3.40 +/- 0.72  55.256% * 49.3740% (0.57   4.77  41.30) =  73.563%  kept
          HN    PHE   59 - HN    ALA   61   4.47 +/- 0.40  28.756% * 24.1032% (0.41   3.20   0.75) =  18.689%  kept
          QE    PHE   59 - HN    ALA   61   7.06 +/- 1.23  10.956% * 26.0729% (0.80   1.78   0.75) =   7.702%  kept
          HN    LYS+  66 - HN    ALA   61   8.26 +/- 1.05   4.650% *  0.3587% (0.98   0.02   0.02) =   0.045%
          HN    LYS+  81 - HN    ALA   61  19.85 +/- 2.94   0.382% *  0.0913% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.946, support = 0.92, residual support = 0.895:
          HA    PRO   58 - HN    ALA   61   3.85 +/- 0.74  70.418% * 66.6404% (0.97   0.94   0.91) =  96.465%  kept
          HA    THR   46 - HN    ALA   61  10.46 +/- 2.67   5.321% * 16.6081% (0.45   0.50   0.02) =   1.817%  kept
          HA    ILE   56 - HN    ALA   61   8.09 +/- 1.20  10.098% *  5.9087% (0.41   0.20   1.64) =   1.226%  kept
          HA    GLN   17 - HN    ALA   61  13.76 +/- 3.82   2.985% *  4.3588% (0.38   0.16   0.02) =   0.267%  kept
          HA    LEU   40 - HN    ALA   61  15.12 +/- 3.35   3.726% *  1.4676% (1.00   0.02   0.02) =   0.112%  kept
          HA    LEU  123 - HN    ALA   61  14.24 +/- 1.66   2.425% *  0.7722% (0.53   0.02   0.02) =   0.038%
          HA    GLU-  15 - HN    ALA   61  18.10 +/- 3.13   0.911% *  1.3883% (0.95   0.02   0.02) =   0.026%
          HA    SER   13 - HN    ALA   61  22.75 +/- 3.66   0.481% *  1.3883% (0.95   0.02   0.02) =   0.014%
          HA    LYS+  99 - HN    ALA   61  17.81 +/- 3.07   1.786% *  0.3660% (0.25   0.02   0.02) =   0.013%
          HA    SER   37 - HN    ALA   61  21.19 +/- 2.99   0.961% *  0.5508% (0.38   0.02   0.02) =   0.011%
          HA    ASN   35 - HN    ALA   61  20.69 +/- 2.91   0.889% *  0.5508% (0.38   0.02   0.02) =   0.010%
    Distance limit 4.01 A violated in 0 structures by 0.24 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.539, support = 1.63, residual support = 0.995:
          HA    ALA   57 - HN    ALA   61   5.40 +/- 1.35  55.810% * 42.3481% (0.41   1.87   1.27) =  71.589%  kept
          HA    ASP-  44 - HN    ALA   61   9.31 +/- 2.20  18.218% * 50.2727% (0.87   1.05   0.30) =  27.741%  kept
          HB    THR   77 - HN    ALA   61  14.28 +/- 2.99   4.796% *  1.0175% (0.92   0.02   0.02) =   0.148%  kept
          HA    THR   39 - HN    ALA   61  16.81 +/- 3.01   4.652% *  0.9207% (0.84   0.02   0.02) =   0.130%  kept
          HA    ILE  103 - HN    ALA   61  17.98 +/- 2.97   3.356% *  1.0804% (0.98   0.02   0.02) =   0.110%  kept
          HA1   GLY   51 - HN    ALA   61  14.60 +/- 1.60   4.448% *  0.8004% (0.73   0.02   0.02) =   0.108%  kept
          HA    GLU-  79 - HN    ALA   61  17.48 +/- 3.85   2.937% *  0.9885% (0.90   0.02   0.02) =   0.088%
          HA    SER   85 - HN    ALA   61  21.89 +/- 2.09   1.191% *  1.0175% (0.92   0.02   0.02) =   0.037%
          HA    MET   11 - HN    ALA   61  27.43 +/- 4.95   1.020% *  0.9207% (0.84   0.02   0.02) =   0.028%
          HA    GLU-  14 - HN    ALA   61  20.29 +/- 3.52   1.639% *  0.1701% (0.15   0.02   0.02) =   0.008%
          HA    ALA   12 - HN    ALA   61  25.17 +/- 3.93   0.944% *  0.2454% (0.22   0.02   0.02) =   0.007%
          HA    ASP-  86 - HN    ALA   61  22.55 +/- 2.21   0.989% *  0.2181% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.53 A violated in 6 structures by 0.90 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.69 +/- 0.13  95.591% * 99.7221% (0.98 10.00   5.85  42.38) =  99.997%  kept
          HN    ARG+  54 - HN    LEU   63  12.33 +/- 2.96   2.027% *  0.0939% (0.92  1.00   0.02   0.02) =   0.002%
          HN    LEU   31 - HN    LEU   63  16.98 +/- 2.51   0.656% *  0.0962% (0.95  1.00   0.02   0.27) =   0.001%
          HN    PHE   55 - HN    LEU   63  12.44 +/- 2.20   1.403% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    LEU   63  19.13 +/- 2.12   0.322% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 55.0:
        T HN    ALA   64 - HN    LEU   63   2.79 +/- 0.18 100.000% *100.0000% (0.97 10.00   6.88  54.99) = 100.000%  kept
    Distance limit 3.41 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 = 4.87, residual support = 29.4:
        T HN    LYS+  65 - HN    ALA   64   2.63 +/- 0.21 100.000% *100.0000% (0.97 10.00   4.87  29.37) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.88, residual support = 55.0:
          HN    LEU   63 - HN    ALA   64   2.79 +/- 0.18  96.072% * 99.0135% (0.99   6.88  54.99) =  99.992%  kept
          HN    ILE   56 - HN    ALA   64  12.59 +/- 1.10   1.183% *  0.2745% (0.95   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    ALA   64  16.54 +/- 3.11   0.826% *  0.1760% (0.61   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   64  16.78 +/- 2.46   0.641% *  0.1760% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  16.75 +/- 3.45   0.642% *  0.1193% (0.41   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  18.15 +/- 1.87   0.419% *  0.1760% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  22.15 +/- 2.05   0.218% *  0.0646% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 4.87, residual support = 29.4:
        T HN    ALA   64 - HN    LYS+  65   2.63 +/- 0.21 100.000% *100.0000% (0.67 10.00   4.87  29.37) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.675, support = 6.45, residual support = 29.7:
          HN    LYS+  66 - HN    LYS+  65   2.63 +/- 0.20  85.607% * 93.3523% (0.68   6.50  29.94) =  99.178%  kept
          QD    PHE   60 - HN    LYS+  65   6.62 +/- 1.11  10.547% *  6.2196% (0.39   0.75   0.02) =   0.814%  kept
          QE    PHE   59 - HN    LYS+  65  10.16 +/- 1.03   1.631% *  0.2346% (0.55   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LYS+  65   9.72 +/- 1.16   1.923% *  0.1204% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    LYS+  65  18.87 +/- 2.61   0.292% *  0.0730% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 1.12, residual support = 4.2:
          HA    ASP-  62 - HN    LYS+  65   3.67 +/- 0.51  96.875% * 96.6106% (0.67   1.12   4.20) =  99.955%  kept
          HB    THR   26 - HN    LYS+  65  16.32 +/- 2.46   1.593% *  1.7752% (0.68   0.02   0.02) =   0.030%
          HA    SER  117 - HN    LYS+  65  17.63 +/- 1.61   0.950% *  1.3006% (0.50   0.02   0.02) =   0.013%
          HA    SER   82 - HN    LYS+  65  21.70 +/- 2.56   0.583% *  0.3137% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.07 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.5, residual support = 29.9:
        T HN    LYS+  65 - HN    LYS+  66   2.63 +/- 0.20 100.000% *100.0000% (0.97 10.00   6.50  29.94) = 100.000%  kept
    Distance limit 3.25 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 = 5.17, residual support = 117.3:
      O   HA    LYS+  66 - HN    LYS+  66   2.90 +/- 0.04  99.341% * 99.9389% (0.97  10.0   5.17 117.31) = 100.000%  kept
          HA    LYS+  81 - HN    LYS+  66  20.11 +/- 3.01   0.393% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  66  21.73 +/- 1.97   0.266% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0784, support = 2.64, residual support = 47.1:
          HD22  ASN   28 - HE3   TRP   27   5.06 +/- 0.18  93.611% * 94.3475% (0.08   2.66  47.32) =  99.593%  kept
          HD22  ASN   28 - HN    LEU   67  17.45 +/- 3.43   6.389% *  5.6525% (0.61   0.02   0.02) =   0.407%  kept
    Distance limit 4.49 A violated in 0 structures by 0.56 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.1, residual support = 60.4:
      O   HA    LEU   67 - HN    LEU   67   2.62 +/- 0.25  94.286% * 99.9623% (1.00  10.0   6.10  60.40) =  99.999%  kept
          HA    LEU   67 - HE3   TRP   27  13.66 +/- 3.20   2.970% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  12.37 +/- 2.05   1.237% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  12.09 +/- 2.57   1.506% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 4.9, residual support = 14.7:
      O   HA    LYS+  66 - HN    LEU   67   3.48 +/- 0.14  94.006% * 99.9186% (0.97  10.0   4.90  14.70) =  99.999%  kept
          HA    LYS+  66 - HE3   TRP   27  15.16 +/- 2.58   1.874% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.50 +/- 2.06   0.525% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  20.60 +/- 2.67   0.549% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  14.54 +/- 0.61   1.316% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  17.19 +/- 5.31   1.731% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 26.5:
        T HN    VAL   70 - HN    ASN   69   2.32 +/- 0.63  99.564% * 99.9644% (0.87 10.00   4.26  26.53) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.94 +/- 2.88   0.436% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.46, residual support = 60.9:
      O   HA    ASN   69 - HN    ASN   69   2.78 +/- 0.17  98.270% * 99.8231% (0.76  10.0   5.46  60.88) =  99.999%  kept
          HA    VAL   43 - HN    ASN   69  12.62 +/- 1.51   1.366% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  19.30 +/- 2.54   0.364% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 3.13, residual support = 60.9:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.704% * 99.9103% (0.52  10.0 10.00   3.13  60.88) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  15.23 +/- 1.94   0.187% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  22.41 +/- 5.85   0.109% *  0.0241% (0.12   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 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.13, residual support = 60.9:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.086% * 99.7566% (0.52  10.0   3.13  60.88) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  12.99 +/- 4.28   0.781% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  24.68 +/- 3.77   0.046% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  22.42 +/- 5.15   0.087% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.36, residual support = 46.2:
          QE    PHE   72 - HN    VAL   70   4.50 +/- 0.65  97.775% * 98.1851% (0.45   2.37  46.25) =  99.958%  kept
          HD22  ASN   28 - HN    VAL   70  17.42 +/- 2.55   2.225% *  1.8149% (0.98   0.02   0.02) =   0.042%
    Distance limit 4.48 A violated in 0 structures by 0.26 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 26.5:
        T HN    ASN   69 - HN    VAL   70   2.32 +/- 0.63  96.421% * 99.8277% (0.76 10.00   4.26  26.53) =  99.998%  kept
          HN    ASN   28 - HN    VAL   70  17.56 +/- 2.21   0.621% *  0.1236% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    VAL   70  11.07 +/- 1.47   2.539% *  0.0259% (0.20  1.00   0.02   0.02) =   0.001%
          HN    GLU-  25 - HN    VAL   70  20.55 +/- 2.30   0.419% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.72, residual support = 26.5:
      O   HA    ASN   69 - HN    VAL   70   3.09 +/- 0.42  96.886% * 99.8197% (0.87  10.0   3.72  26.53) =  99.997%  kept
          HA    VAL   43 - HN    VAL   70  10.93 +/- 1.19   2.503% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HA    HIS   22 - HN    VAL   70  18.01 +/- 2.04   0.611% *  0.1060% (0.93   1.0   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.31, residual support = 81.6:
      O   HA    VAL   70 - HN    VAL   70   2.90 +/- 0.04  77.704% * 99.5350% (0.72  10.0   4.31  81.62) =  99.980%  kept
          HA1   GLY   16 - HN    VAL   70   9.93 +/- 5.67  11.345% *  0.0831% (0.60   1.0   0.02   0.02) =   0.012%
          HB2   SER   37 - HN    VAL   70  11.29 +/- 2.33   2.337% *  0.1265% (0.91   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    VAL   70   9.25 +/- 4.22   6.863% *  0.0342% (0.25   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    VAL   70  18.12 +/- 3.12   0.474% *  0.0995% (0.72   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   70  16.08 +/- 2.66   0.722% *  0.0564% (0.41   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   70  18.40 +/- 2.37   0.404% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.60 +/- 3.03   0.151% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 139.4:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.04  95.691% * 99.9402% (1.00  10.0   6.63 139.38) =  99.999%  kept
          HA    VAL   43 - HN    LEU   71   9.71 +/- 1.14   2.874% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  12.82 +/- 2.36   1.435% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 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 = 5.66, residual support = 34.0:
      O   HA    VAL   70 - HN    LEU   71   2.22 +/- 0.04  86.080% * 95.0821% (1.00  10.0   5.67  34.07) =  99.710%  kept
          HA    VAL   18 - HN    LEU   71   8.29 +/- 4.49   5.188% *  4.5248% (0.69   1.0   1.39   0.02) =   0.286%  kept
          HB2   SER   37 - HN    LEU   71   8.12 +/- 1.85   2.645% *  0.0463% (0.49   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LEU   71   8.67 +/- 5.71   4.661% *  0.0188% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.87 +/- 2.06   0.571% *  0.0825% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  19.36 +/- 3.02   0.306% *  0.0951% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  15.62 +/- 1.70   0.280% *  0.0690% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.77 +/- 3.86   0.090% *  0.0577% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  19.58 +/- 3.14   0.179% *  0.0237% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.21, residual support = 2.93:
          HA    VAL   41 - HN    LEU   71   5.09 +/- 1.47  85.810% * 98.7481% (1.00   2.22   2.94) =  99.895%  kept
          HA    HIS  122 - HN    LEU   71  17.98 +/- 6.40   7.062% *  0.7461% (0.84   0.02   0.02) =   0.062%
          HA    PHE   45 - HN    LEU   71  14.76 +/- 1.36   7.128% *  0.5057% (0.57   0.02   0.02) =   0.042%
    Distance limit 4.06 A violated in 8 structures by 1.21 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.693, support = 2.07, residual support = 1.06:
          HN    VAL   42 - HN    LEU   71   5.91 +/- 1.21  50.190% * 35.2228% (0.61   2.31   1.27) =  52.903%  kept
          HN    LEU   73 - HN    LEU   71   7.45 +/- 0.14  21.247% * 37.7804% (0.61   2.48   1.17) =  24.022%  kept
          HN    ILE   19 - HN    LEU   71   9.01 +/- 3.77  28.563% * 26.9968% (0.98   1.10   0.47) =  23.075%  kept
    Distance limit 4.58 A violated in 0 structures by 0.59 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.61, residual support = 90.3:
          QD    PHE   72 - HN    PHE   72   2.37 +/- 0.58  96.075% * 96.9913% (0.45   5.61  90.32) =  99.929%  kept
          HD22  ASN   69 - HN    PHE   72   9.66 +/- 0.84   2.312% *  2.5098% (0.73   0.09   0.02) =   0.062%
          QE    PHE   45 - HN    PHE   72  11.52 +/- 1.57   1.613% *  0.4989% (0.65   0.02   0.02) =   0.009%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.07, residual support = 90.3:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.07  90.32) = 100.000%  kept
    Distance limit 4.23 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 = 5.41, residual support = 19.1:
      O   HA    LEU   71 - HN    PHE   72   2.34 +/- 0.14  93.439% * 99.9402% (1.00  10.0   5.41  19.10) =  99.998%  kept
          HA    ALA   20 - HN    PHE   72   9.24 +/- 2.80   2.580% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    PHE   72   7.27 +/- 0.84   3.982% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.55 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 = 0.596, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  15.14 +/- 1.40  18.941% * 29.8815% (0.73   0.02   0.02) =  34.872%  kept
          HA    ASP-  78 - HN    PHE   72  18.30 +/- 1.13  10.605% * 39.7133% (0.97   0.02   0.02) =  25.947%  kept
          HA    PHE   45 - HN    PHE   72  11.98 +/- 0.96  37.377% *  7.2068% (0.18   0.02   0.02) =  16.596%  kept
          HB    THR   23 - HN    PHE   72  15.66 +/- 2.31  20.048% *  9.1616% (0.22   0.02   0.02) =  11.317%  kept
          HA    LEU   80 - HN    PHE   72  18.02 +/- 2.43  13.029% * 14.0368% (0.34   0.02   0.02) =  11.268%  kept
    Distance limit 4.45 A violated in 20 structures by 6.31 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 0.02, residual support = 0.491:
          HZ2   TRP   87 - HN    LEU   73  13.13 +/- 4.64  20.737% * 31.1892% (0.99   0.02   0.02) =  31.115%  kept
          HD21  ASN   28 - HN    LEU   73  11.36 +/- 1.77  18.673% * 30.8446% (0.98   0.02   0.93) =  27.709%  kept
          QE    PHE   60 - HN    LEU   73   9.24 +/- 3.01  35.816% * 15.3170% (0.49   0.02   0.85) =  26.392%  kept
          HN    LEU   63 - HN    LEU   73  10.57 +/- 1.14  20.685% * 12.9368% (0.41   0.02   0.02) =  12.873%  kept
          HN    ILE   56 - HN    LEU   73  18.03 +/- 1.79   4.089% *  9.7124% (0.31   0.02   0.02) =   1.910%  kept
    Distance limit 4.57 A violated in 18 structures by 2.88 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.41, residual support = 170.8:
      O   HA    LEU   73 - HN    LEU   73   2.86 +/- 0.07 100.000% *100.0000% (0.95  10.0   6.41 170.83) = 100.000%  kept
    Distance limit 3.87 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 = 5.54, residual support = 43.6:
      O   HA    PHE   72 - HN    LEU   73   2.60 +/- 0.12 100.000% *100.0000% (0.53  10.0   5.54  43.62) = 100.000%  kept
    Distance limit 3.08 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 = 0.602, support = 3.08, residual support = 5.6:
          HA    VAL   43 - HN    LEU   73   4.83 +/- 1.13  46.019% * 52.4603% (0.53   3.60   7.51) =  70.379%  kept
          HA    LEU   71 - HN    LEU   73   6.40 +/- 0.07  21.226% * 44.2733% (0.84   1.92   1.17) =  27.396%  kept
          HA    ALA   20 - HN    LEU   73   7.37 +/- 2.86  25.090% *  3.0030% (0.14   0.80   0.02) =   2.196%  kept
          HA    ASN   69 - HN    LEU   73  11.77 +/- 0.75   3.347% *  0.1539% (0.28   0.02   0.02) =   0.015%
          HA    HIS   22 - HN    LEU   73  11.06 +/- 1.16   4.318% *  0.1095% (0.20   0.02   0.02) =   0.014%
    Distance limit 4.34 A violated in 0 structures by 0.31 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.126, support = 4.12, residual support = 10.2:
        T HN    CYS   21 - HN    LYS+  74   4.89 +/- 3.87  61.417% * 95.8247% (0.12 10.00   4.15  10.26) =  99.227%  kept
        T HN    ILE  119 - HN    LYS+  74  18.24 +/- 3.13  11.519% *  3.0978% (0.40 10.00   0.02   0.02) =   0.602%  kept
          HN    ILE   89 - HN    LYS+  74  15.83 +/- 2.59  12.799% *  0.4381% (0.57  1.00   0.02   0.02) =   0.095%
          HN    SER   37 - HN    LYS+  74  15.39 +/- 1.19   7.090% *  0.5176% (0.67  1.00   0.02   0.02) =   0.062%
          HN    LYS+  38 - HN    LYS+  74  15.76 +/- 1.03   7.176% *  0.1218% (0.16  1.00   0.02   0.02) =   0.015%
    Distance limit 4.21 A violated in 3 structures by 1.02 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.567, support = 4.18, residual support = 17.5:
        T HN    ILE   19 - HN    LYS+  74   6.14 +/- 4.81  41.628% * 73.0973% (0.54 10.00   3.39   8.27) =  72.209%  kept
          HN    LEU   73 - HN    LYS+  74   4.39 +/- 0.27  43.656% * 26.7980% (0.64  1.00   6.25  41.39) =  27.762%  kept
          HN    VAL   42 - HN    LYS+  74   7.43 +/- 1.32  13.756% *  0.0858% (0.64  1.00   0.02   0.02) =   0.028%
          HN    LYS+ 106 - HN    LYS+  74  17.10 +/- 2.46   0.960% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.64, residual support = 41.4:
      O   HA    LEU   73 - HN    LYS+  74   2.53 +/- 0.21 100.000% *100.0000% (0.68  10.0   5.64  41.39) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.1, residual support = 186.5:
      O   HA    LYS+  74 - HN    LYS+  74   2.88 +/- 0.05  94.394% * 99.4309% (0.20  10.0   6.10 186.53) =  99.993%  kept
          HA    VAL   41 - HN    LYS+  74   8.61 +/- 1.25   4.453% *  0.0708% (0.14   1.0   0.02   0.02) =   0.003%
          HA    MET   92 - HN    LYS+  74  15.68 +/- 1.99   0.691% *  0.3102% (0.61   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    LYS+  74  19.85 +/- 3.80   0.462% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 0.67, support = 3.42, residual support = 6.55:
          HA    ALA   20 - HN    LYS+  74   4.63 +/- 4.54  73.238% * 88.6124% (0.68   3.54   6.84) =  95.515%  kept
          HA    LEU   71 - HN    LYS+  74   8.15 +/- 1.25  26.762% * 11.3876% (0.37   0.83   0.22) =   4.485%  kept
    Distance limit 3.75 A violated in 1 structures by 0.24 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.25, residual support = 32.1:
      O   HA    LYS+  74 - HN    VAL   75   2.22 +/- 0.05  98.960% * 99.7992% (0.61  10.0   6.25  32.05) =  99.999%  kept
          HA    MET   92 - HN    VAL   75  12.60 +/- 2.02   0.820% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  18.77 +/- 3.06   0.220% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.72, residual support = 35.7:
      O   HA    ASP-  76 - HN    ASP-  76   2.90 +/- 0.03  98.755% * 99.5538% (0.22  10.0   3.72  35.71) =  99.994%  kept
          HA    LEU   67 - HN    ASP-  76  14.02 +/- 2.37   1.245% *  0.4462% (1.00   1.0   0.02   0.02) =   0.006%
    Distance limit 4.00 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 = 19.7:
      O   HA    VAL  107 - HN    VAL  108   2.19 +/- 0.01  95.647% * 99.5919% (0.65  10.0   3.97  19.71) =  99.998%  kept
          HA    LYS+ 111 - HN    VAL  108   8.55 +/- 1.78   3.264% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    VAL  108  12.57 +/- 1.66   0.608% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  17.16 +/- 4.33   0.359% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  21.09 +/- 2.40   0.123% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 5.58, residual support = 28.3:
        T HN    ASP-  78 - HN    THR   77   2.60 +/- 0.15  88.971% * 96.7355% (0.98 10.00   5.59  28.41) =  99.750%  kept
          HN    VAL   75 - HN    THR   77   6.29 +/- 0.46   6.616% *  3.2472% (0.61  1.00   1.08   0.72) =   0.249%  kept
          HN    LYS+ 112 - HN    THR   77  16.89 +/- 4.63   4.413% *  0.0173% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 5.59, residual support = 28.4:
        T HN    THR   77 - HN    ASP-  78   2.60 +/- 0.15 100.000% *100.0000% (1.00 10.00   5.59  28.41) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.89, residual support = 20.8:
        T HN    GLU-  79 - HN    ASP-  78   2.49 +/- 0.18  97.499% * 99.9158% (0.99 10.00   3.89  20.82) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78  10.72 +/- 1.98   2.501% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.89, residual support = 20.8:
        T HN    ASP-  78 - HN    GLU-  79   2.49 +/- 0.18  97.510% * 99.3521% (0.56 10.00   3.89  20.82) =  99.983%  kept
          HN    VAL   75 - HN    GLU-  79   8.53 +/- 0.43   2.490% *  0.6479% (0.56  1.00   0.13   0.02) =   0.017%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.603, support = 4.43, residual support = 56.4:
      O   HA    GLU-  79 - HN    GLU-  79   2.63 +/- 0.25  86.216% * 94.5621% (0.60  10.0   4.44  56.73) =  99.413%  kept
          HB    THR   77 - HN    GLU-  79   5.67 +/- 0.50   9.666% *  4.9523% (0.37   1.0   1.71   0.02) =   0.584%  kept
          HA    ASP-  44 - HN    GLU-  79  11.26 +/- 1.54   1.658% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.13 +/- 0.65   0.927% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  17.95 +/- 3.99   0.451% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    GLU-  79  17.23 +/- 4.99   0.573% *  0.0729% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    GLU-  79  19.79 +/- 2.72   0.257% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  22.63 +/- 1.76   0.146% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  30.03 +/- 5.87   0.106% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0824, support = 3.84, residual support = 20.8:
      O   HA    ASP-  78 - HN    GLU-  79   3.55 +/- 0.10  88.290% * 98.7485% (0.08  10.0   3.84  20.82) =  99.910%  kept
          HA    PHE   45 - HN    GLU-  79   8.52 +/- 2.37  10.332% *  0.7232% (0.60   1.0   0.02   0.02) =   0.086%
          HA    VAL   41 - HN    GLU-  79  16.95 +/- 0.97   0.846% *  0.3839% (0.32   1.0   0.02   0.02) =   0.004%
          HA    HIS  122 - HN    GLU-  79  23.86 +/- 3.51   0.532% *  0.1444% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 11.0:
      O   HA    ASP-  76 - HN    THR   77   2.31 +/- 0.05  99.403% * 99.8354% (0.53  10.0   4.53  11.01) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  14.66 +/- 2.68   0.597% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 1.14, residual support = 1.94:
          HA    ALA   47 - HN    THR   77   8.60 +/- 3.86  38.610% * 88.5915% (0.57   1.18   2.01) =  96.594%  kept
          HA    CYS   50 - HN    THR   77  12.70 +/- 3.46  12.484% *  2.6073% (0.98   0.02   0.02) =   0.919%  kept
          HA    CYS   21 - HN    THR   77  13.69 +/- 2.38  14.638% *  1.8271% (0.69   0.02   0.02) =   0.755%  kept
          HA    TRP   49 - HN    THR   77  13.48 +/- 3.44   9.848% *  2.3073% (0.87   0.02   0.02) =   0.642%  kept
          HA1   GLY  109 - HN    THR   77  16.40 +/- 2.48   7.678% *  2.5670% (0.97   0.02   0.02) =   0.557%  kept
          HA    VAL  108 - HN    THR   77  14.02 +/- 2.51  12.979% *  1.1925% (0.45   0.02   0.02) =   0.437%  kept
          HA    LYS+ 102 - HN    THR   77  21.29 +/- 2.44   3.761% *  0.9073% (0.34   0.02   0.02) =   0.096%
    Distance limit 4.45 A violated in 13 structures by 2.91 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.429, support = 0.945, residual support = 7.68:
          HA    THR   46 - HN    THR   77   7.64 +/- 3.12  41.327% * 40.9736% (0.25   1.19  10.96) =  69.756%  kept
          HA    VAL   42 - HN    THR   77  13.43 +/- 1.20  12.721% * 51.4565% (0.87   0.43   0.13) =  26.965%  kept
          HA    GLN   90 - HN    THR   77   9.98 +/- 2.93  25.852% *  1.8993% (0.69   0.02   0.02) =   2.023%  kept
          HA    ALA  110 - HN    THR   77  15.54 +/- 3.41   9.375% *  1.5654% (0.57   0.02   0.02) =   0.605%  kept
          HA    PHE   55 - HN    THR   77  18.47 +/- 3.16   4.324% *  2.3984% (0.87   0.02   0.02) =   0.427%  kept
          HA    GLN   17 - HN    THR   77  18.22 +/- 4.24   4.653% *  0.8534% (0.31   0.02   0.02) =   0.164%  kept
          HA    SER   37 - HN    THR   77  24.84 +/- 1.31   1.749% *  0.8534% (0.31   0.02   0.02) =   0.061%
    Distance limit 4.35 A violated in 12 structures by 2.18 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   3.17 +/- 0.53  79.258% * 97.2073% (0.76  10.0   4.02  37.47) =  99.712%  kept
          HA    GLU-  79 - HN    THR   77   6.58 +/- 0.52  10.637% *  2.0048% (0.28   1.0   1.13   0.02) =   0.276%  kept
          HA    ASP-  44 - HN    THR   77   8.79 +/- 1.22   4.437% *  0.1062% (0.84   1.0   0.02   0.02) =   0.006%
          HA    SER   85 - HN    THR   77  12.92 +/- 1.94   1.536% *  0.0972% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.40 +/- 1.90   0.996% *  0.1019% (0.80   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  18.49 +/- 2.07   0.586% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    THR   77  20.76 +/- 3.12   0.643% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.30 +/- 3.57   0.292% *  0.0924% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  27.45 +/- 4.50   0.200% *  0.1062% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  16.23 +/- 3.20   0.902% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  29.46 +/- 5.14   0.159% *  0.1103% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  20.91 +/- 1.93   0.354% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 5.36, residual support = 40.1:
        T HN    LEU   80 - HN    LYS+  81   3.47 +/- 0.58  82.552% * 94.5566% (0.65 10.00   5.39  40.43) =  99.176%  kept
          HN    SER   85 - HN    LYS+  81   6.48 +/- 0.32  15.507% *  4.1442% (0.45  1.00   1.26   0.02) =   0.817%  kept
        T HN    ALA   34 - HN    LYS+  81  23.42 +/- 4.99   0.415% *  1.1171% (0.76 10.00   0.02   0.02) =   0.006%
          HN    GLN   32 - HN    LYS+  81  22.51 +/- 6.34   0.600% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  81  18.72 +/- 4.09   0.927% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 13.2:
        T HN    SER   82 - HN    LYS+  81   2.64 +/- 0.17  97.862% * 99.8569% (1.00 10.00   4.32  13.18) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  11.30 +/- 1.85   1.553% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    LYS+  81  25.57 +/- 5.68   0.147% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  23.92 +/- 3.58   0.198% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.68 +/- 3.74   0.239% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.692, support = 5.74, residual support = 39.5:
      O   HA    LEU   80 - HN    LYS+  81   2.56 +/- 0.37  77.498% * 88.8388% (0.69  10.0   5.84  40.43) =  97.689%  kept
          HA    ASP-  78 - HN    LYS+  81   5.79 +/- 1.49  17.086% *  9.1757% (0.95   1.0   1.50   0.43) =   2.225%  kept
          HA    THR   23 - HN    LYS+  81  14.39 +/- 7.78   3.148% *  1.8815% (0.98   1.0   0.30   0.02) =   0.084%
          HB    THR   23 - HN    LYS+  81  16.23 +/- 7.85   1.970% *  0.0680% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  21.75 +/- 4.38   0.298% *  0.0360% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.37, residual support = 105.2:
      O   HA    LYS+  81 - HN    LYS+  81   2.79 +/- 0.06  97.721% * 99.7055% (0.99  10.0   5.37 105.16) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  21.50 +/- 4.87   0.604% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  18.41 +/- 6.98   1.049% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  31.34 +/- 5.46   0.177% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  29.57 +/- 4.44   0.101% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  21.37 +/- 2.87   0.348% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.9, residual support = 33.3:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  96.351% * 98.7108% (0.25  10.0   3.90  33.27) =  99.989%  kept
          HA    GLU-  25 - HN    SER   82  17.54 +/- 8.68   1.952% *  0.3170% (0.80   1.0   0.02   0.02) =   0.007%
          HA    CYS   53 - HN    SER   82  20.19 +/- 3.45   0.395% *  0.3880% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    SER   82  21.07 +/- 5.08   0.309% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  19.76 +/- 7.76   0.776% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  24.32 +/- 3.36   0.217% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.318, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  21.53 +/- 4.47  38.460% * 67.5049% (0.41   0.02   0.02) =  56.490%  kept
          HB    THR   23 - HN    SER   82  16.87 +/- 7.93  61.540% * 32.4951% (0.20   0.02   0.02) =  43.510%  kept
    Distance limit 4.33 A violated in 20 structures by 9.98 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 = 19.2:
        T HN    VAL   83 - HN    SER   82   2.67 +/- 0.13  99.401% * 99.9274% (1.00 10.00   5.62  19.18) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  18.01 +/- 4.58   0.599% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 4.32, residual support = 13.2:
          HN    LYS+  81 - HN    SER   82   2.64 +/- 0.17  97.933% * 99.3063% (1.00   4.32  13.18) =  99.997%  kept
          QD    PHE   60 - HN    SER   82  18.33 +/- 3.61   0.450% *  0.3685% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  16.89 +/- 6.29   1.164% *  0.1025% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  21.31 +/- 2.50   0.225% *  0.1421% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.19 +/- 3.06   0.227% *  0.0806% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.54, residual support = 40.8:
        T HN    ALA   84 - HN    VAL   83   2.64 +/- 0.09  98.890% * 99.6823% (0.75 10.00   7.54  40.81) =  99.999%  kept
          HN    LYS+ 111 - HN    VAL   83  20.11 +/- 2.92   0.285% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  24.46 +/- 7.63   0.308% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  22.04 +/- 3.28   0.240% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  19.66 +/- 2.09   0.277% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 19.2:
        T HN    SER   82 - HN    VAL   83   2.67 +/- 0.13  97.014% * 99.8569% (0.75 10.00   5.62  19.18) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83  10.49 +/- 1.34   1.901% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    VAL   83  18.81 +/- 4.25   0.609% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  24.68 +/- 6.29   0.214% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  23.11 +/- 3.33   0.262% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.80 +/- 0.11  96.801% * 99.8725% (0.99 10.00   3.77  20.66) =  99.999%  kept
          HN    THR   94 - HN    ALA   84  11.49 +/- 1.69   2.457% *  0.0224% (0.22  1.00   0.02   0.02) =   0.001%
          HN    GLN   32 - HN    ALA   84  21.32 +/- 6.04   0.443% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  22.21 +/- 4.74   0.299% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.54, residual support = 40.8:
        T HN    VAL   83 - HN    ALA   84   2.64 +/- 0.09  99.138% * 99.9274% (1.00 10.00   7.54  40.81) =  99.999%  kept
          HN    CYS   50 - HN    ALA   84  16.49 +/- 3.93   0.862% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.24, residual support = 5.53:
          HA    LYS+  81 - HN    ALA   84   3.33 +/- 0.27  95.397% * 95.6693% (0.80   2.24   5.53) =  99.971%  kept
          HA    ASN   28 - HN    ALA   84  17.31 +/- 6.68   2.053% *  0.5181% (0.49   0.02   0.02) =   0.012%
          HA    ARG+  54 - HN    ALA   84  21.21 +/- 3.57   0.735% *  1.0272% (0.97   0.02   0.02) =   0.008%
          HA    LEU  115 - HN    ALA   84  19.15 +/- 2.35   0.628% *  0.4772% (0.45   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ALA   84  29.98 +/- 4.04   0.160% *  1.0621% (1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   84  28.29 +/- 4.24   0.191% *  0.7312% (0.69   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ALA   84  22.96 +/- 3.89   0.377% *  0.3285% (0.31   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   84  21.70 +/- 3.96   0.458% *  0.1864% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  19.43 +/- 3.08  18.864% * 27.0775% (0.70   0.02   0.02) =  30.487%  kept
          HA    GLU-  25 - HN    VAL   83  16.60 +/- 7.99  28.361% * 13.1508% (0.34   0.02   0.02) =  22.261%  kept
          HA    THR   26 - HN    VAL   83  18.68 +/- 7.26  14.193% * 21.2999% (0.55   0.02   0.02) =  18.044%  kept
          HA    ILE   19 - HN    VAL   83  19.89 +/- 5.00  12.377% * 20.1488% (0.52   0.02   0.02) =  14.884%  kept
          HA    GLU- 114 - HN    VAL   83  22.88 +/- 3.38  13.075% * 11.0089% (0.28   0.02   0.02) =   8.591%  kept
          HA1   GLY  101 - HN    VAL   83  21.68 +/- 4.60  13.130% *  7.3142% (0.19   0.02   0.02) =   5.732%  kept
    Distance limit 4.32 A violated in 20 structures by 7.53 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 2.58, residual support = 5.08:
        T HN    SER   85 - HN    VAL   83   4.35 +/- 0.09  59.541% * 97.9507% (0.58 10.00   2.59   5.13) =  98.959%  kept
          HN    LEU   80 - HN    VAL   83   5.19 +/- 0.73  37.144% *  1.6395% (0.26  1.00   0.75   0.11) =   1.033%  kept
          HN    GLN   32 - HN    VAL   83  20.53 +/- 7.09   1.581% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
        T HN    CYS   53 - HN    VAL   83  19.58 +/- 3.27   0.773% *  0.2245% (0.13 10.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  21.63 +/- 5.77   0.961% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 10.4:
          HN    SER   82 - HN    ALA   84   3.84 +/- 0.08  85.978% * 99.2230% (0.87   4.19  10.37) =  99.941%  kept
          HN    GLN   90 - HN    ALA   84   8.07 +/- 1.60  12.238% *  0.3751% (0.69   0.02   0.02) =   0.054%
          HN    ILE  103 - HN    ALA   84  18.28 +/- 3.77   1.268% *  0.2658% (0.49   0.02   0.02) =   0.004%
          HN    GLY   16 - HN    ALA   84  24.94 +/- 5.68   0.515% *  0.1362% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.54 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 +/- 0.08  98.989% * 97.4523% (0.80   3.33  13.43) =  99.995%  kept
          HN    GLN   30 - HN    SER   85  21.05 +/- 5.92   0.284% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    SER   85  20.58 +/- 3.56   0.216% *  0.4732% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  21.05 +/- 6.57   0.320% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  24.84 +/- 3.44   0.123% *  0.5311% (0.73   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  30.18 +/- 5.23   0.068% *  0.6345% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.80 +/- 0.11  93.970% * 97.8179% (0.90   3.77  20.66) =  99.987%  kept
          HD21  ASN   28 - HN    SER   85  16.71 +/- 7.65   2.041% *  0.1786% (0.31   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HN    SER   85   9.33 +/- 0.75   2.937% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    SER   85  19.02 +/- 2.75   0.375% *  0.5190% (0.90   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    SER   85  20.94 +/- 1.85   0.238% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HN    ILE   56 - HN    SER   85  22.37 +/- 2.79   0.217% *  0.5672% (0.98   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  26.59 +/- 7.04   0.222% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.59, residual support = 5.13:
        T HN    VAL   83 - HN    SER   85   4.35 +/- 0.09  97.539% * 99.9526% (0.87 10.00   2.59   5.13) =  99.999%  kept
          HN    CYS   50 - HN    SER   85  17.93 +/- 3.86   2.461% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.16 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  78.331% * 92.5515% (0.99  10.0   3.65  18.03) =  98.603%  kept
          HA    ASP-  86 - HN    SER   85   4.92 +/- 0.09  14.947% *  6.8401% (0.45   1.0   3.27  13.43) =   1.391%  kept
          HB    THR   77 - HN    SER   85  10.29 +/- 2.78   2.823% *  0.0926% (0.99   1.0   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    SER   85   9.88 +/- 0.81   2.016% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    SER   85  14.03 +/- 1.55   0.714% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  18.39 +/- 3.52   0.384% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  21.43 +/- 3.63   0.243% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  25.76 +/- 2.93   0.116% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.63 +/- 6.99   0.061% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  22.15 +/- 3.41   0.207% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  29.77 +/- 4.95   0.090% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.65 +/- 6.29   0.067% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.579, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    SER   85  19.59 +/- 2.99  14.908% * 14.2963% (0.61   0.02   0.02) =  20.733%  kept
          HA    THR   26 - HN    SER   85  21.63 +/- 6.14   8.516% * 23.1039% (0.98   0.02   0.02) =  19.139%  kept
          HA    GLU- 114 - HN    SER   85  22.08 +/- 2.90   9.128% * 17.1158% (0.73   0.02   0.02) =  15.199%  kept
          HA1   GLY  101 - HN    SER   85  22.30 +/- 4.25   9.444% * 13.3446% (0.57   0.02   0.02) =  12.259%  kept
          HA    ASN   28 - HN    SER   85  18.84 +/- 6.94  17.769% *  5.2476% (0.22   0.02   0.02) =   9.071%  kept
          HA    LEU  115 - HN    SER   85  20.27 +/- 2.60  12.085% *  5.8774% (0.25   0.02   0.02) =   6.910%  kept
          HA    ILE   19 - HN    SER   85  22.48 +/- 4.14   8.117% *  8.0401% (0.34   0.02   0.02) =   6.349%  kept
          HA    GLU-  25 - HN    SER   85  19.42 +/- 7.16  15.031% *  4.1279% (0.18   0.02   0.02) =   6.036%  kept
          HA    ALA   34 - HN    SER   85  24.61 +/- 3.92   5.002% *  8.8463% (0.38   0.02   0.02) =   4.305%  kept
    Distance limit 3.88 A violated in 20 structures by 8.66 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 +/- 0.08  98.689% * 99.7141% (0.99 10.00   3.33  13.43) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  22.74 +/- 5.45   0.199% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  21.64 +/- 6.78   0.316% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  13.06 +/- 1.21   0.796% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 +/- 0.07  95.168% * 74.3227% (0.95   3.71  22.68) =  98.460%  kept
          HE3   TRP   87 - HN    ASP-  86   7.64 +/- 0.30   4.443% * 24.8639% (0.31   3.80  22.68) =   1.538%  kept
          HN    GLN   17 - HN    ASP-  86  25.50 +/- 5.84   0.243% *  0.4225% (1.00   0.02   0.02) =   0.001%
          HD21  ASN   69 - HN    ASP-  86  25.88 +/- 3.64   0.147% *  0.3909% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.67 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  60.805% * 79.7150% (0.87  10.0   4.16  42.50) =  91.499%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.03  28.204% * 14.1794% (0.15  10.0   3.26  13.43) =   7.549%  kept
          HA    TRP   87 - HN    ASP-  86   5.25 +/- 0.12   8.680% *  5.8025% (0.28   1.0   4.54  22.68) =   0.951%  kept
          HA    LEU  104 - HN    ASP-  86  19.65 +/- 4.58   0.358% *  0.0887% (0.97   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ASP-  86  11.41 +/- 2.61   1.232% *  0.0142% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.81 +/- 1.83   0.547% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  29.24 +/- 5.45   0.074% *  0.0848% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  33.18 +/- 6.71   0.052% *  0.0768% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  35.18 +/- 7.39   0.047% *  0.0205% (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 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 +/- 0.07  98.178% * 98.4399% (1.00   3.71  22.68) =  99.994%  kept
          HN    GLN   30 - HN    TRP   87  19.90 +/- 5.36   0.440% *  0.5305% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    TRP   87  20.13 +/- 5.75   0.448% *  0.3861% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    TRP   87  17.30 +/- 4.30   0.562% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  22.94 +/- 4.45   0.240% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  29.11 +/- 5.54   0.133% *  0.2798% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.813, support = 3.94, residual support = 64.4:
      O   HA    TRP   87 - HN    TRP   87   2.93 +/- 0.04  64.112% * 78.1363% (0.90  10.0   4.03  70.62) =  86.981%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.08  34.509% * 21.7248% (0.25  10.0   3.39  22.68) =  13.017%  kept
          HA    LEU  104 - HN    TRP   87  17.48 +/- 4.70   0.964% *  0.0598% (0.69   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    TRP   87  20.67 +/- 2.70   0.231% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  28.65 +/- 5.38   0.115% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.85 +/- 6.39   0.069% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.295, support = 1.89, residual support = 70.5:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  85.257% * 69.4269% (0.28  10.0   1.87  70.62) =  96.287%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.506% * 23.1101% (0.73   1.0   2.38  70.62) =   3.574%  kept
          HN    TRP   27 - HE1   TRP   87  15.28 +/- 5.52   1.094% *  6.8579% (0.90   1.0   0.57   5.58) =   0.122%  kept
          HN    ALA   91 - HE1   TRP   87  11.07 +/- 1.68   3.544% *  0.2648% (0.99   1.0   0.02   0.02) =   0.015%
          HN    ALA   61 - HE1   TRP   87  17.93 +/- 2.84   0.346% *  0.2578% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  20.91 +/- 5.04   0.253% *  0.0825% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.789, support = 1.97, residual support = 5.48:
          HZ2   TRP   27 - HE1   TRP   87  10.95 +/- 7.34  61.182% * 97.0678% (0.80   2.00   5.58) =  98.119%  kept
          HZ    PHE   72 - HE1   TRP   87  15.11 +/- 3.20  38.818% *  2.9322% (0.20   0.24   0.02) =   1.881%  kept
    Distance limit 4.25 A violated in 11 structures by 5.66 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.318, support = 2.81, residual support = 4.61:
      O   HA    TRP   87 - HN    ALA   88   3.32 +/- 0.08  30.462% * 88.7261% (0.28  10.0   2.97   4.96) =  93.010%  kept
          HA    ASP-  86 - HN    ALA   88   4.05 +/- 0.35  19.712% * 10.1721% (0.87   1.0   0.73   0.02) =   6.900%  kept
          HA    SER   85 - HN    ALA   88   2.92 +/- 0.46  47.706% *  0.0492% (0.15   1.0   0.02   0.02) =   0.081%
          HA    LEU  104 - HN    ALA   88  18.30 +/- 4.45   0.473% *  0.3080% (0.97   1.0   0.02   0.02) =   0.005%
          HB    THR   77 - HN    ALA   88  11.80 +/- 2.81   0.955% *  0.0492% (0.15   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  13.15 +/- 1.68   0.553% *  0.0632% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  30.07 +/- 5.15   0.065% *  0.2946% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ALA   88  34.26 +/- 6.13   0.040% *  0.2665% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  36.30 +/- 6.71   0.034% *  0.0710% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.602, support = 0.845, residual support = 17.5:
          HA    TRP   87 - HN    ILE   89   4.27 +/- 0.28  73.394% * 76.9191% (0.61   0.89  18.68) =  93.613%  kept
          HA    ASP-  86 - HN    ILE   89   6.45 +/- 0.32  22.404% * 16.8138% (0.53   0.22   0.02) =   6.247%  kept
          HA    LEU  104 - HN    ILE   89  17.32 +/- 3.91   2.636% *  2.7027% (0.95   0.02   0.02) =   0.118%  kept
          HA    GLU-  14 - HN    ILE   89  29.03 +/- 4.65   0.325% *  1.7329% (0.61   0.02   0.02) =   0.009%
          HA    PHE   59 - HN    ILE   89  19.42 +/- 3.17   1.014% *  0.4408% (0.15   0.02   0.02) =   0.007%
          HA    ALA   12 - HN    ILE   89  33.36 +/- 5.53   0.227% *  1.3907% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.76, residual support = 32.4:
          HN    ALA   91 - HN    GLN   90   2.02 +/- 0.40  98.118% * 99.1381% (0.92   6.76  32.41) =  99.995%  kept
          HE3   TRP   87 - HN    GLN   90   9.89 +/- 0.88   1.347% *  0.3067% (0.97   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    GLN   90  17.51 +/- 2.56   0.232% *  0.3067% (0.97   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    GLN   90  20.14 +/- 3.70   0.222% *  0.1928% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  25.12 +/- 4.33   0.080% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.394, support = 5.29, residual support = 84.0:
      O   HA    GLN   90 - HN    GLN   90   2.73 +/- 0.17  77.225% * 68.5420% (0.34  10.0   5.48  89.80) =  89.904%  kept
          HA    ALA   91 - HN    GLN   90   4.48 +/- 0.40  19.159% * 31.0042% (0.87   1.0   3.56  32.41) =  10.089%  kept
          HA    VAL  107 - HN    GLN   90  12.26 +/- 1.51   1.103% *  0.1939% (0.97   1.0   0.02   0.02) =   0.004%
          HA    ALA  110 - HN    GLN   90  11.79 +/- 2.97   1.906% *  0.0901% (0.45   1.0   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    GLN   90  19.96 +/- 3.49   0.250% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  20.07 +/- 3.59   0.358% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 89.8:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.936% * 99.0596% (0.92  10.0 10.00   1.00  89.80) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  31.00 +/- 5.72   0.024% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  29.53 +/- 6.51   0.040% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.8:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.050% * 99.4024% (0.76  10.0   1.00  89.80) =  99.998%  kept
          HD21  ASN   35 - HE22  GLN   32   7.41 +/- 0.66   1.348% *  0.0646% (0.25   1.0   0.02   3.63) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  15.82 +/- 5.15   1.199% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  22.49 +/- 4.52   0.085% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  24.76 +/- 4.89   0.051% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  31.12 +/- 3.64   0.019% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  24.77 +/- 4.34   0.054% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  18.39 +/- 2.08   0.096% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  31.00 +/- 5.72   0.023% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.46 +/- 5.37   0.033% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  29.80 +/- 2.99   0.022% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  32.44 +/- 3.88   0.020% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.76, residual support = 32.4:
        T HN    GLN   90 - HN    ALA   91   2.02 +/- 0.40  93.962% * 99.6698% (0.95 10.00   6.76  32.41) =  99.997%  kept
          HN    GLY  109 - HN    ALA   91   9.03 +/- 3.37   3.461% *  0.0554% (0.53  1.00   0.02   0.02) =   0.002%
        T HN    GLN   90 - HN    TRP   27  20.14 +/- 3.70   0.212% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.93 +/- 2.15   0.171% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.65 +/- 1.59   0.713% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.90 +/- 4.34   0.573% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  16.77 +/- 7.66   0.807% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  22.49 +/- 3.02   0.101% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 5.93:
          HA    LEU   73 - HN    ALA   91  18.01 +/- 2.57  25.852% * 89.0027% (0.65   0.02   0.02) =  73.834%  kept
          HA    LEU   73 - HN    TRP   27   9.49 +/- 2.66  74.148% * 10.9973% (0.08   0.02  22.62) =  26.166%  kept
    Distance limit 4.44 A violated in 20 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.89, support = 2.79, residual support = 23.6:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  43.736% * 89.2967% (1.00  10.0   2.49  12.82) =  87.755%  kept
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.02  52.085% * 10.4606% (0.12  10.0   4.93 100.69) =  12.242%  kept
          HA    VAL  107 - HN    ALA   91  12.22 +/- 1.53   0.714% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   91  10.91 +/- 3.31   2.318% *  0.0157% (0.18   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA   91  16.25 +/- 4.55   0.502% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  20.86 +/- 3.39   0.148% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.93 +/- 3.87   0.145% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.50 +/- 2.39   0.127% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.78 +/- 3.85   0.099% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.91 +/- 3.01   0.126% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 61.3:
      O   HA    MET   92 - HN    MET   92   2.40 +/- 0.24  97.410% * 99.1845% (0.25  10.0   4.21  61.32) =  99.996%  kept
          HA    PHE   45 - HN    MET   92   9.17 +/- 1.19   2.203% *  0.0992% (0.25   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    MET   92  23.08 +/- 3.63   0.206% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    MET   92  20.34 +/- 1.14   0.181% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 2.99, residual support = 9.26:
      O   HA    ALA   91 - HN    MET   92   2.25 +/- 0.08  92.464% * 99.6892% (0.80  10.0   2.99   9.26) =  99.996%  kept
          HA    PRO   52 - HN    MET   92  13.79 +/- 5.28   1.824% *  0.0855% (0.69   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HN    MET   92  11.42 +/- 3.25   5.093% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  13.21 +/- 0.84   0.477% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  21.37 +/- 3.23   0.142% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 3.44, residual support = 27.3:
        T HN    PHE   45 - HN    THR   94   3.22 +/- 0.81  89.586% * 97.7468% (0.95 10.00   3.44  27.34) =  99.733%  kept
          HN    ALA  110 - HN    THR   94   8.72 +/- 2.16  10.414% *  2.2532% (1.00  1.00   0.44   0.02) =   0.267%  kept
    Distance limit 4.26 A violated in 0 structures by 0.07 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   9.01 +/- 0.54 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.37 A violated in 20 structures by 4.64 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.08, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.19 +/- 0.07  98.316% * 99.9112% (0.22  10.0   4.08  15.62) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.55 +/- 1.65   1.684% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.949, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.96 +/- 0.30  80.396% * 54.6147% (1.00   0.02   0.02) =  88.363%  kept
          HA    LYS+  74 - HN    THR   94  10.56 +/- 0.96  16.151% * 33.1992% (0.61   0.02   0.02) =  10.790%  kept
          HA    HIS  122 - HN    THR   94  18.33 +/- 2.68   3.453% * 12.1862% (0.22   0.02   0.02) =   0.847%  kept
    Distance limit 3.78 A violated in 20 structures by 2.13 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.11, residual support = 46.6:
          HN    VAL  107 - HN    PHE   95   3.38 +/- 0.45  98.875% * 99.1010% (0.97   2.11  46.61) =  99.990%  kept
          HN    GLY   51 - HN    PHE   95  15.57 +/- 1.95   1.125% *  0.8990% (0.92   0.02   0.02) =   0.010%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.85, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   3.19 +/- 0.65  92.398% * 99.3365% (0.87   3.86  73.44) =  99.973%  kept
          HN    ALA   47 - HN    PHE   95  10.54 +/- 1.05   3.605% *  0.5153% (0.87   0.02   0.38) =   0.020%
          QE    PHE   72 - HN    PHE   95  10.17 +/- 1.70   3.997% *  0.1481% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.32, residual support = 73.4:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.32  73.44) = 100.000%  kept
    Distance limit 4.31 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 = 14.6:
      O   HA    THR   94 - HN    PHE   95   2.27 +/- 0.14  97.561% * 99.8515% (0.65  10.0   3.16  14.56) =  99.998%  kept
          HA    LYS+  74 - HN    PHE   95  12.09 +/- 1.19   0.842% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.16 +/- 0.41   1.598% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.99, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.22 +/- 0.04 100.000% *100.0000% (0.95  10.0   3.99  11.96) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.4:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  96.810% * 99.9800% (0.94  10.0   4.09 115.39) =  99.999%  kept
          HA    PHE   72 - HN    MET   96  10.04 +/- 1.72   3.190% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.87, residual support = 58.7:
        T HN    ASP- 105 - HN    PHE   97   3.40 +/- 0.48  97.463% * 99.9802% (1.00 10.00   4.87  58.73) =  99.999%  kept
          HN    ALA   88 - HN    PHE   97  13.92 +/- 3.33   2.537% *  0.0198% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 4.06, residual support = 62.2:
          QD    PHE   97 - HN    PHE   97   2.75 +/- 0.75  89.190% * 98.9852% (0.80   4.06  62.23) =  99.936%  kept
          HZ3   TRP   87 - HN    PHE   97   9.68 +/- 5.20  10.513% *  0.5277% (0.87   0.02   0.02) =   0.063%
          HE3   TRP   49 - HN    PHE   97  21.50 +/- 2.86   0.297% *  0.4871% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.16, residual support = 11.8:
          HA    LYS+ 106 - HN    PHE   97   3.56 +/- 0.66 100.000% *100.0000% (0.98   3.16  11.78) = 100.000%  kept
    Distance limit 4.34 A violated in 0 structures by 0.09 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.2:
      O   HA    MET   96 - HN    PHE   97   2.25 +/- 0.06  99.096% * 99.9800% (0.99  10.0   6.07  44.17) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  11.65 +/- 2.00   0.904% *  0.0200% (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 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.31, residual support = 22.2:
        T HN    VAL   41 - HN    LEU   98   5.43 +/- 3.11 100.000% *100.0000% (0.69 10.00   5.31  22.23) = 100.000%  kept
    Distance limit 3.98 A violated in 5 structures by 1.63 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.98, residual support = 75.5:
      O   HA    LEU   98 - HN    LEU   98   2.92 +/- 0.03 100.000% *100.0000% (0.80  10.0   4.98  75.52) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.35, residual support = 10.6:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.02 100.000% *100.0000% (0.98  10.0   3.35  10.64) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 1.37, residual support = 4.31:
          HA    VAL   42 - HN    LEU   98   4.19 +/- 1.96  58.406% * 24.8631% (0.45   0.86   0.43) =  54.483%  kept
          HA    LEU   40 - HN    LEU   98   7.14 +/- 3.14  17.267% * 68.6214% (0.53   2.03   9.16) =  44.455%  kept
          HA    THR   46 - HN    LEU   98  15.22 +/- 2.72  13.164% *  1.2761% (0.99   0.02   0.02) =   0.630%  kept
          HA    PRO   58 - HN    LEU   98  16.75 +/- 3.62   5.070% *  0.8844% (0.69   0.02   0.02) =   0.168%  kept
          HA    GLN   17 - HN    LEU   98  15.41 +/- 5.21   3.377% *  1.2425% (0.97   0.02   0.02) =   0.157%  kept
          HA    SER   37 - HN    LEU   98  15.85 +/- 2.89   0.987% *  1.2425% (0.97   0.02   0.02) =   0.046%
          HA    GLU-  15 - HN    LEU   98  17.29 +/- 3.93   0.960% *  0.9349% (0.73   0.02   0.02) =   0.034%
          HA    SER   13 - HN    LEU   98  22.63 +/- 4.92   0.771% *  0.9349% (0.73   0.02   0.02) =   0.027%
    Distance limit 4.44 A violated in 0 structures by 0.12 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.847, support = 1.04, residual support = 1.27:
          HN    LYS+ 102 - HN    LYS+  99   3.57 +/- 0.47  70.894% * 55.5856% (0.95   0.75   1.40) =  87.181%  kept
          HN    ASP- 105 - HN    LYS+  99   6.49 +/- 0.41  13.788% * 41.6512% (0.18   3.04   0.41) =  12.705%  kept
          HN    GLU-  36 - HN    LYS+  99  14.89 +/- 3.48   1.557% *  1.2535% (0.80   0.02   0.02) =   0.043%
          HN    THR   39 - HN    LYS+  99  12.13 +/- 3.90   3.133% *  0.5875% (0.38   0.02   0.02) =   0.041%
          HD1   TRP   87 - HN    LYS+  99  16.30 +/- 4.11   1.229% *  0.6436% (0.41   0.02   0.02) =   0.017%
          HN    GLU-  36 - HN    GLN   30   9.64 +/- 0.44   4.105% *  0.0824% (0.05   0.02   0.02) =   0.007%
          HN    THR   39 - HN    GLN   30  11.63 +/- 1.05   2.494% *  0.0386% (0.02   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    GLN   30  17.41 +/- 3.72   0.947% *  0.0973% (0.06   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  18.30 +/- 5.36   1.191% *  0.0423% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  18.53 +/- 2.32   0.663% *  0.0180% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.22 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.27, residual support = 17.7:
      O   HA    LEU   98 - HN    LYS+  99   2.27 +/- 0.06  99.604% * 99.9934% (0.99  10.0   4.27  17.74) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.66 +/- 2.90   0.396% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.23, residual support = 173.8:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.02  90.299% * 99.5300% (0.80  10.0   5.23 173.76) =  99.996%  kept
          HA    ASN   35 - HN    LYS+  99  12.77 +/- 4.34   2.209% *  0.0804% (0.65   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    LYS+  99  18.93 +/- 4.06   0.495% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.77 +/- 2.63   0.226% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  21.84 +/- 7.47   0.430% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  23.44 +/- 3.57   0.251% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  16.13 +/- 5.04   0.827% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.80 +/- 0.48   1.821% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.58 +/- 3.01   1.247% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.35 +/- 6.11   1.151% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.45 +/- 2.48   0.326% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  27.73 +/- 3.77   0.136% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.45 +/- 2.83   0.181% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  20.56 +/- 5.08   0.400% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.997, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.72 +/- 0.43  78.431% * 99.8909% (1.00 10.00   3.61  14.93) =  99.970%  kept
          HN    LEU   40 - HN    GLU- 100   8.50 +/- 4.69  21.569% *  0.1091% (0.14  1.00   0.16   0.02) =   0.030%
    Distance limit 4.01 A violated in 0 structures by 0.05 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 39.0:
      O   HA    LYS+  99 - HN    GLU- 100   2.22 +/- 0.06  77.736% * 99.2379% (0.99  10.0   6.83  39.00) =  99.909%  kept
          HA    LEU   40 - HN    GLU- 100   6.41 +/- 4.42  17.294% *  0.3790% (0.20   1.0   0.38   0.02) =   0.085%
          HA    ASN   35 - HN    GLU- 100   9.84 +/- 4.69   4.533% *  0.0924% (0.92   1.0   0.02   0.02) =   0.005%
          HA    LEU  123 - HN    GLU- 100  23.18 +/- 8.02   0.164% *  0.0802% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  25.24 +/- 3.67   0.077% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.57 +/- 2.63   0.059% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.42 +/- 3.81   0.136% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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   2.81 +/- 0.91  89.338% * 98.8249% (0.95   3.13  12.52) =  99.966%  kept
          HN    GLU-  36 - HN    GLY  101  13.91 +/- 4.38   2.557% *  0.5339% (0.80   0.02   0.02) =   0.015%
          HN    THR   39 - HN    GLY  101  11.90 +/- 4.60   4.438% *  0.2503% (0.38   0.02   0.02) =   0.013%
          HN    ASP- 105 - HN    GLY  101  10.13 +/- 0.64   3.053% *  0.1168% (0.18   0.02   0.02) =   0.004%
          HD1   TRP   87 - HN    GLY  101  18.42 +/- 4.22   0.613% *  0.2741% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.18 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 = 0.75, residual support = 1.4:
          HN    LYS+  99 - HN    LYS+ 102   3.57 +/- 0.47  91.307% * 93.9176% (0.98   0.75   1.40) =  99.868%  kept
          HE1   HIS  122 - HN    LYS+ 102  20.10 +/- 9.09   2.432% *  2.4147% (0.95   0.02   0.02) =   0.068%
          HN    GLU-  14 - HN    LYS+ 102  23.74 +/- 6.34   1.517% *  2.1321% (0.84   0.02   0.02) =   0.038%
          HN    ASN   35 - HN    LYS+ 102  14.59 +/- 4.60   2.711% *  0.3939% (0.15   0.02   0.02) =   0.012%
          HN    GLN   30 - HN    LYS+ 102  17.41 +/- 3.72   1.233% *  0.6365% (0.25   0.02   0.02) =   0.009%
          HN    ASP-  86 - HN    LYS+ 102  20.37 +/- 4.46   0.800% *  0.5052% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.64 A violated in 0 structures by 0.15 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   2.81 +/- 0.91  97.805% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  13.02 +/- 4.42   2.195% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.72 +/- 0.43 100.000% *100.0000% (0.80 10.00   3.61  14.93) = 100.000%  kept
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.981, support = 1.41, residual support = 1.37:
          HA    LYS+  99 - HN    GLY  101   4.60 +/- 0.51  64.548% * 90.2975% (0.99   1.43   1.39) =  98.352%  kept
          HA    LEU   40 - HN    GLY  101   9.30 +/- 4.26  15.540% *  4.8256% (0.20   0.38   0.02) =   1.265%  kept
          HA    ASN   35 - HN    GLY  101  11.62 +/- 5.55  17.511% *  1.1766% (0.92   0.02   0.02) =   0.348%  kept
          HA    LEU  123 - HN    GLY  101  24.93 +/- 7.94   0.774% *  1.0206% (0.80   0.02   0.02) =   0.013%
          HA    ILE   56 - HN    GLY  101  26.79 +/- 3.57   0.456% *  1.1431% (0.90   0.02   0.02) =   0.009%
          HA    ASP- 113 - HN    GLY  101  26.48 +/- 2.68   0.372% *  1.1431% (0.90   0.02   0.02) =   0.007%
          HA    PHE   59 - HN    GLY  101  22.25 +/- 3.94   0.798% *  0.3934% (0.31   0.02   0.02) =   0.005%
    Distance limit 4.75 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   2.75 +/- 0.15  94.466% * 99.5220% (1.00  10.0   2.86  15.43) =  99.995%  kept
          HA    ASN   28 - HN    GLY  101  15.27 +/- 4.89   2.526% *  0.0833% (0.84   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    GLY  101  12.83 +/- 4.00   1.674% *  0.0963% (0.97   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    GLY  101  19.33 +/- 4.37   0.611% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  22.26 +/- 3.40   0.213% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  24.26 +/- 3.09   0.160% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  25.63 +/- 9.07   0.238% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.32 +/- 3.55   0.111% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 6.61, residual support = 39.2:
          HN    LEU  104 - HN    ILE  103   4.64 +/- 0.03  97.579% * 99.3948% (0.49   6.61  39.20) =  99.985%  kept
          HN    PHE   72 - HN    ILE  103  16.43 +/- 2.05   2.421% *  0.6052% (0.98   0.02   0.02) =   0.015%
    Distance limit 4.48 A violated in 0 structures by 0.15 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   2.35 +/- 0.12  97.979% * 99.7796% (0.97  10.0   5.98  23.47) =  99.999%  kept
          HA    CYS   21 - HN    ILE  103  20.19 +/- 4.30   1.166% *  0.0710% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    ILE  103  20.31 +/- 3.54   0.321% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.89 +/- 1.08   0.200% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  27.32 +/- 3.71   0.134% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.99 +/- 3.72   0.200% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.02, residual support = 139.1:
      O   HA    ILE  103 - HN    ILE  103   2.77 +/- 0.08  94.794% * 99.2916% (0.98  10.0   7.02 139.10) =  99.997%  kept
          HA    ASP-  44 - HN    ILE  103  14.17 +/- 1.54   0.832% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ILE  103  15.60 +/- 3.70   0.710% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  18.39 +/- 4.12   0.493% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  21.40 +/- 3.79   0.373% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.36 +/- 3.12   0.311% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  16.57 +/- 5.37   1.409% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.91 +/- 7.03   0.172% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.03 +/- 3.32   0.142% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  23.33 +/- 2.82   0.194% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  24.62 +/- 5.27   0.370% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  28.98 +/- 6.31   0.200% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 7.09, residual support = 37.1:
        T HN    ASP- 105 - HN    LEU  104   2.36 +/- 0.67  98.460% * 99.9802% (1.00 10.00   7.09  37.14) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  16.46 +/- 3.87   1.540% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.59, residual support = 9.79:
          HA    LEU   98 - HN    LEU  104   2.95 +/- 0.39 100.000% *100.0000% (0.80   3.59   9.79) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.56, residual support = 39.2:
      O   HA    ILE  103 - HN    LEU  104   2.37 +/- 0.11  96.194% * 99.2645% (0.95  10.0   6.56  39.20) =  99.997%  kept
          HA    ASP-  44 - HN    LEU  104  11.54 +/- 1.12   0.915% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    LEU  104  20.76 +/- 3.87   0.559% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  18.91 +/- 2.91   0.323% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  14.39 +/- 3.23   0.565% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.75 +/- 3.60   0.271% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  17.55 +/- 4.62   0.468% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.33 +/- 6.04   0.085% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.61 +/- 4.26   0.164% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.07 +/- 3.49   0.144% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.31 +/- 5.23   0.097% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.75 +/- 3.02   0.216% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.87, residual support = 58.7:
        T HN    PHE   97 - HN    ASP- 105   3.40 +/- 0.48  96.833% * 99.7623% (0.73 10.00   4.87  58.73) =  99.997%  kept
          HN    LEU  115 - HN    ASP- 105  14.70 +/- 2.88   1.832% *  0.0998% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    ASP- 105  17.84 +/- 2.58   1.084% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.56 +/- 5.29   0.251% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.09, residual support = 37.1:
        T HN    LEU  104 - HN    ASP- 105   2.36 +/- 0.67  99.197% * 99.9822% (0.87 10.00   7.09  37.14) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  14.69 +/- 2.05   0.803% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.17, residual support = 135.0:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.05 100.000% *100.0000% (0.95  10.0   5.17 135.04) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 24.4:
      O   HA    ASP- 105 - HN    LYS+ 106   2.44 +/- 0.10  98.722% * 99.6913% (0.92  10.0   3.49  24.44) =  99.999%  kept
          HA    LEU   80 - HN    LYS+ 106  19.77 +/- 3.88   0.554% *  0.1022% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    LYS+ 106  20.56 +/- 3.84   0.449% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  23.75 +/- 3.07   0.130% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  22.56 +/- 2.92   0.146% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.37, residual support = 42.0:
      O   HA    ASP- 105 - HN    ASP- 105   2.84 +/- 0.03  98.468% * 99.6913% (0.92  10.0   4.37  42.01) =  99.999%  kept
          HA    LEU   80 - HN    ASP- 105  20.29 +/- 3.25   0.443% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  22.69 +/- 3.26   0.257% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  21.70 +/- 3.11   0.300% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  21.53 +/- 3.25   0.532% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.383, support = 5.88, residual support = 32.5:
      O   HA    LEU  104 - HN    ASP- 105   3.54 +/- 0.15  58.458% * 76.9608% (0.34  10.0   6.35  37.14) =  86.344%  kept
          HA    ILE  103 - HN    ASP- 105   4.53 +/- 0.72  32.844% * 21.6295% (0.65   1.0   2.96   3.05) =  13.634%  kept
          HA    ASP-  44 - HN    ASP- 105  10.87 +/- 1.14   2.193% *  0.1885% (0.84   1.0   0.02   0.02) =   0.008%
          HB    THR   77 - HN    ASP- 105  18.25 +/- 3.26   1.233% *  0.1724% (0.76   1.0   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    ASP- 105  20.64 +/- 4.27   2.313% *  0.0627% (0.28   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HN    ASP- 105  17.82 +/- 4.30   0.682% *  0.1807% (0.80   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    ASP- 105  18.58 +/- 3.47   0.513% *  0.1724% (0.76   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    ASP- 105  24.38 +/- 3.88   0.276% *  0.1638% (0.73   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  15.41 +/- 3.01   0.880% *  0.0502% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  29.19 +/- 4.59   0.156% *  0.1885% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  31.26 +/- 5.44   0.136% *  0.1957% (0.87   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP- 105  23.98 +/- 3.18   0.317% *  0.0348% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.42:
          QD    PHE   97 - HN    VAL  107   4.31 +/- 0.57  85.140% * 99.0099% (0.87   2.25   5.43) =  99.868%  kept
          HZ3   TRP   87 - HN    VAL  107  11.72 +/- 3.80  13.410% *  0.8124% (0.80   0.02   0.02) =   0.129%  kept
          HE3   TRP   49 - HN    VAL  107  19.17 +/- 2.38   1.450% *  0.1777% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.48 A violated in 0 structures by 0.14 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.2:
      O   HA    LYS+ 106 - HN    VAL  107   2.26 +/- 0.13 100.000% *100.0000% (0.98  10.0   4.58  26.23) = 100.000%  kept
    Distance limit 3.16 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  94.295% * 99.7406% (0.95  10.0   3.65  60.13) =  99.997%  kept
          HA    ALA   91 - HN    VAL  107  12.92 +/- 0.89   1.169% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107   9.41 +/- 1.32   3.493% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  18.40 +/- 1.82   0.422% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  17.29 +/- 3.67   0.622% *  0.0360% (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 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.82, residual support = 58.7:
          QD    PHE   97 - HN    ASP- 105   3.79 +/- 0.59  80.949% * 99.6150% (0.87   5.82  58.73) =  99.927%  kept
          HZ3   TRP   87 - HN    ASP- 105  11.27 +/- 5.74  18.519% *  0.3159% (0.80   0.02   0.02) =   0.072%
          HE3   TRP   49 - HN    ASP- 105  23.86 +/- 3.25   0.532% *  0.0691% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.691, support = 0.664, residual support = 0.326:
          HA    LYS+  74 - HN    GLY  109  16.42 +/- 1.67   7.860% * 97.8679% (0.74   0.74   0.36) =  89.501%  kept
          HA    THR   94 - HN    GLY  109   5.55 +/- 2.05  73.641% *  0.9212% (0.26   0.02   0.02) =   7.893%  kept
          HA    MET   92 - HN    GLY  109   9.36 +/- 2.92  18.499% *  1.2108% (0.34   0.02   0.02) =   2.606%  kept
    Distance limit 4.42 A violated in 4 structures by 1.16 A, kept.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.542, support = 2.19, residual support = 8.42:
      O   HA1   GLY  109 - HN    GLY  109   2.72 +/- 0.22  36.221% * 65.2898% (0.73  10.0   1.76   9.30) =  52.258%  kept
      O   HA    VAL  108 - HN    GLY  109   2.23 +/- 0.04  62.721% * 34.4458% (0.34  10.0   2.66   7.45) =  47.741%  kept
          HA    CYS   50 - HN    GLY  109  15.05 +/- 3.91   0.336% *  0.0753% (0.74   1.0   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    GLY  109  13.76 +/- 2.78   0.397% *  0.0435% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  18.32 +/- 3.08   0.143% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  22.19 +/- 2.83   0.082% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.40 +/- 0.98   0.099% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 3.04, residual support = 9.12:
          HN    LYS+ 111 - HN    ALA  110   3.18 +/- 0.88  91.259% * 97.3101% (0.90   3.04   9.12) =  99.948%  kept
          HN    ILE   56 - HN    ALA  110  13.69 +/- 4.40   2.770% *  0.6993% (0.98   0.02   0.41) =   0.022%
          HN    LEU   63 - HN    ALA  110  15.36 +/- 2.71   1.958% *  0.6585% (0.92   0.02   0.02) =   0.015%
          HN    ALA   84 - HN    ALA  110  16.67 +/- 2.86   1.623% *  0.6398% (0.90   0.02   0.02) =   0.012%
          HZ2   TRP   87 - HN    ALA  110  17.37 +/- 3.28   1.609% *  0.1249% (0.18   0.02   0.02) =   0.002%
          HD21  ASN   28 - HN    ALA  110  22.84 +/- 3.64   0.597% *  0.2202% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  30.65 +/- 2.98   0.184% *  0.3472% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.15:
      O   HA1   GLY  109 - HN    ALA  110   3.32 +/- 0.43  58.899% * 93.8843% (0.69  10.0   2.07   6.40) =  96.178%  kept
          HA    VAL  108 - HN    ALA  110   4.52 +/- 1.14  37.992% *  5.7753% (0.80   1.0   1.06   0.02) =   3.816%  kept
          HA    ALA   47 - HN    ALA  110  14.22 +/- 2.87   1.234% *  0.1226% (0.90   1.0   0.02   0.02) =   0.003%
          HA    CYS   50 - HN    ALA  110  14.74 +/- 3.98   1.183% *  0.0992% (0.73   1.0   0.02   0.02) =   0.002%
          HA    TRP   49 - HN    ALA  110  18.24 +/- 3.10   0.474% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  23.11 +/- 3.15   0.218% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.73, residual support = 9.58:
      O   HA    ALA  110 - HN    ALA  110   2.46 +/- 0.29  89.001% * 98.1886% (0.18  10.0   2.74   9.58) =  99.937%  kept
          HA    VAL  107 - HN    ALA  110   6.99 +/- 1.14   5.934% *  0.5304% (0.95   1.0   0.02   0.02) =   0.036%
          HA    ALA   91 - HN    ALA  110  10.72 +/- 3.16   3.690% *  0.5594% (1.00   1.0   0.02   0.02) =   0.024%
          HA    PRO   52 - HN    ALA  110  14.24 +/- 5.97   1.240% *  0.1912% (0.34   1.0   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    ALA  110  22.82 +/- 2.56   0.136% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 29.0:
        T HN    LYS+ 112 - HN    LYS+ 111   4.46 +/- 0.12  91.993% * 99.8172% (0.99 10.00   5.34  29.02) =  99.998%  kept
          HN    LYS+  74 - HN    LYS+ 111  20.04 +/- 2.87   1.438% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  13.91 +/- 1.58   3.488% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  18.19 +/- 3.79   2.905% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  38.84 +/- 4.98   0.175% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.33 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.18 +/- 0.88  97.398% * 99.9053% (1.00 10.00   3.04   9.12) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  12.21 +/- 1.64   2.602% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.10 +/- 1.52  38.662% * 58.2608% (1.00   0.02   0.02) =  64.075%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.98 +/- 1.16  39.285% * 19.8732% (0.34   0.02   0.02) =  22.208%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.75 +/- 1.57  22.053% * 21.8659% (0.38   0.02   0.02) =  13.717%  kept
    Distance limit 4.50 A violated in 20 structures by 5.73 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 = 9.12:
      O   HA    ALA  110 - HN    LYS+ 111   2.87 +/- 0.48  85.744% * 99.3312% (0.45  10.0   3.04   9.12) =  99.970%  kept
          HA    VAL  107 - HN    LYS+ 111   7.94 +/- 2.16   8.625% *  0.2138% (0.97   1.0   0.02   0.02) =   0.022%
          HA    ALA   91 - HN    LYS+ 111  12.12 +/- 2.70   2.709% *  0.1922% (0.87   1.0   0.02   0.02) =   0.006%
          HA    GLN   90 - HN    LYS+ 111  14.45 +/- 2.18   1.062% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    LYS+ 111  14.00 +/- 4.42   1.681% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  23.94 +/- 2.92   0.179% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.16 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 29.0:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.45 +/- 0.22  96.763% * 99.8075% (0.53  10.0   7.09  29.02) =  99.997%  kept
          HA    VAL  108 - HN    LYS+ 112   9.68 +/- 1.10   2.375% *  0.1074% (0.57   1.0   0.02   0.02) =   0.003%
          HA    ALA   47 - HN    LYS+ 112  14.58 +/- 3.14   0.862% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.95 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 = 4.98, residual support = 24.5:
        T HN    GLU- 114 - HN    ASP- 113   2.69 +/- 0.17  81.230% * 94.1922% (0.81 10.00   5.03  24.77) =  98.922%  kept
          HN    GLN  116 - HN    ASP- 113   4.86 +/- 0.43  14.739% *  5.6420% (0.76  1.00   1.26   1.93) =   1.075%  kept
          HN    THR  118 - HN    ASP- 113   8.45 +/- 0.70   2.896% *  0.0644% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  12.75 +/- 1.58   0.936% *  0.0409% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.98 +/- 3.60   0.200% *  0.0604% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.03, residual support = 24.8:
        T HN    ASP- 113 - HN    GLU- 114   2.69 +/- 0.17 100.000% *100.0000% (1.00 10.00   5.03  24.77) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.956, support = 3.8, residual support = 42.2:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.05  83.310% * 88.7716% (0.97  10.0   3.79  42.70) =  97.863%  kept
          HA    LEU  115 - HN    GLU- 114   5.05 +/- 0.15  14.778% * 10.9253% (0.53   1.0   4.52  21.36) =   2.136%  kept
          HA    CYS   53 - HN    GLU- 114  12.28 +/- 1.85   1.351% *  0.0284% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLU- 114  28.46 +/- 4.47   0.205% *  0.0870% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  26.12 +/- 1.83   0.110% *  0.0798% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.73 +/- 2.35   0.107% *  0.0632% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  25.71 +/- 2.87   0.138% *  0.0448% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.79:
          HA    LYS+ 111 - HN    ASP- 113   4.00 +/- 0.39  80.617% * 99.1971% (0.74   2.18   3.79) =  99.932%  kept
          HA    VAL  108 - HN    ASP- 113  10.42 +/- 1.56  10.591% *  0.2615% (0.21   0.02   0.02) =   0.035%
          HA    PRO   52 - HN    ASP- 113  12.66 +/- 3.74   6.298% *  0.3577% (0.29   0.02   0.02) =   0.028%
          HA    ALA   47 - HN    ASP- 113  16.18 +/- 3.22   2.494% *  0.1837% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.31 A violated in 0 structures by 0.05 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.46, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.73 +/- 0.07  95.515% * 99.6702% (0.85  10.0   3.46  14.38) =  99.997%  kept
          HA    ILE   56 - HN    ASP- 113  10.88 +/- 2.35   2.180% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ASP- 113  12.47 +/- 1.07   1.102% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  16.48 +/- 0.83   0.448% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.49 +/- 2.54   0.174% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.13 +/- 3.85   0.497% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.49 +/- 2.73   0.084% *  0.0646% (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 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 8.14, residual support = 87.9:
        T HN    GLN  116 - HN    LEU  115   2.71 +/- 0.16  41.421% * 83.7333% (0.99 10.00   8.78 102.28) =  82.278%  kept
          HN    GLU- 114 - HN    LEU  115   2.51 +/- 0.17  51.389% * 14.3133% (0.65  1.00   5.24  21.36) =  17.449%  kept
          HN    THR  118 - HN    LEU  115   5.18 +/- 0.44   6.171% *  1.8523% (0.95  1.00   0.46   0.10) =   0.271%  kept
          HN    PHE   60 - HN    LEU  115  10.60 +/- 1.39   0.817% *  0.0646% (0.76  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    LEU  115  20.49 +/- 2.90   0.161% *  0.0235% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  28.19 +/- 3.30   0.041% *  0.0130% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 8.78, residual support = 102.3:
        T HN    LEU  115 - HN    GLN  116   2.71 +/- 0.16  99.070% * 99.8619% (0.98 10.00   8.78 102.28) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  14.43 +/- 2.85   0.867% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  34.11 +/- 5.08   0.063% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.56, residual support = 28.2:
        T HN    SER  117 - HN    GLN  116   2.70 +/- 0.10  99.662% * 99.8966% (0.97 10.00   5.56  28.22) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  25.19 +/- 3.38   0.149% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  23.77 +/- 3.15   0.190% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.969, support = 4.22, residual support = 17.2:
        T HN    GLN  116 - HN    SER  117   2.70 +/- 0.10  46.882% * 50.0721% (0.99 10.00   5.56  28.22) =  52.666%  kept
        T HN    THR  118 - HN    SER  117   2.76 +/- 0.13  43.841% * 47.7890% (0.95 10.00   2.74   5.07) =  47.005%  kept
          HN    GLU- 114 - HN    SER  117   4.89 +/- 0.38   8.322% *  1.7310% (0.65  1.00   1.06   0.84) =   0.323%  kept
        T HN    PHE   60 - HN    SER  117  11.33 +/- 1.25   0.746% *  0.3861% (0.76 10.00   0.02   0.02) =   0.006%
          HN    LEU   71 - HN    SER  117  20.80 +/- 2.97   0.163% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  28.31 +/- 3.16   0.046% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.98, residual support = 112.5:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.674% * 99.8119% (0.95  10.0   1.98 112.53) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   8.81 +/- 1.22   0.932% *  0.1026% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  16.35 +/- 3.36   0.352% *  0.0559% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  25.40 +/- 4.23   0.042% *  0.0296% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.98, residual support = 112.5:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  93.970% * 99.7477% (0.90  10.0 10.00   1.98 112.53) =  99.994%  kept
          HN    ALA  120 - HE22  GLN  116   5.77 +/- 1.07   4.493% *  0.1090% (0.98   1.0  1.00   0.02   0.27) =   0.005%
          HN    ALA   57 - HE22  GLN  116  11.15 +/- 2.34   0.984% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN  116  10.60 +/- 1.34   0.499% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  24.39 +/- 4.46   0.055% *  0.0309% (0.28   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 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.22, residual support = 1.93:
          HA    ASP- 113 - HN    GLN  116   3.89 +/- 0.29  78.180% * 94.8828% (1.00   1.23   1.93) =  99.736%  kept
          HA    ILE   56 - HN    GLN  116   9.04 +/- 1.77  10.010% *  0.9400% (0.61   0.02   0.02) =   0.127%  kept
          HA    PHE   59 - HN    GLN  116   8.97 +/- 1.00   7.453% *  0.9400% (0.61   0.02   0.35) =   0.094%
          HA    LEU  123 - HN    GLN  116  12.34 +/- 0.78   2.720% *  0.7544% (0.49   0.02   0.02) =   0.028%
          HA    LYS+  99 - HN    GLN  116  20.99 +/- 2.68   0.587% *  1.2410% (0.80   0.02   0.02) =   0.010%
          HA    ASN   35 - HN    GLN  116  26.81 +/- 2.06   0.266% *  1.0026% (0.65   0.02   0.02) =   0.004%
          HA    TRP   87 - HN    GLN  116  20.08 +/- 3.22   0.784% *  0.2391% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 112.5:
      O   HA    GLN  116 - HN    GLN  116   2.75 +/- 0.04  94.939% * 99.5202% (1.00  10.0   6.91 112.53) =  99.998%  kept
          HA    SER   48 - HN    GLN  116  17.11 +/- 3.83   3.492% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN  116  19.53 +/- 3.07   0.538% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLN  116  20.51 +/- 3.34   0.348% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  25.03 +/- 3.24   0.166% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.34 +/- 2.67   0.099% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  27.60 +/- 2.80   0.112% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.13 +/- 2.53   0.124% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  24.29 +/- 3.67   0.181% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 177.6:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.05  66.850% * 60.5049% (1.00  10.0   7.81 225.45) =  76.551%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.06  31.583% * 39.2280% (0.65  10.0   4.82  21.36) =  23.448%  kept
          HA    ARG+  54 - HN    LEU  115  13.40 +/- 0.91   0.622% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.56 +/- 0.91   0.278% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.20 +/- 2.43   0.120% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  25.03 +/- 1.98   0.099% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  24.99 +/- 2.24   0.098% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  26.86 +/- 3.94   0.145% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  20.56 +/- 2.61   0.205% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.64, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.73 +/- 0.04  98.673% * 99.4282% (0.38  10.0   3.64  15.38) =  99.997%  kept
          HA    ASP-  62 - HN    SER  117  14.49 +/- 1.16   0.708% *  0.2506% (0.95   1.0   0.02   0.02) =   0.002%
          HB    THR   26 - HN    SER  117  26.31 +/- 4.97   0.454% *  0.2025% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    SER  117  25.12 +/- 3.01   0.165% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 5.82, residual support = 52.4:
        T HN    ILE  119 - HN    ALA  120   2.62 +/- 0.13  99.027% * 99.2864% (0.83 10.00   5.82  52.36) =  99.997%  kept
        T HN    CYS   21 - HN    ALA  120  21.69 +/- 4.94   0.612% *  0.4963% (0.41 10.00   0.02   0.02) =   0.003%
          HN    ILE   89 - HN    ALA  120  21.28 +/- 2.75   0.219% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.96 +/- 4.88   0.143% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.86, residual support = 55.2:
          HN    HIS  122 - HN    LYS+ 121   2.70 +/- 0.02  88.423% * 99.4645% (0.80   6.86  55.20) =  99.988%  kept
          QE    PHE   59 - HN    LYS+ 121   6.01 +/- 0.84   9.717% *  0.0723% (0.20   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+ 121  10.79 +/- 1.13   1.568% *  0.1758% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  21.49 +/- 4.82   0.291% *  0.2873% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 5.7, residual support = 32.0:
          HN    LEU  123 - HN    HIS  122   2.11 +/- 0.07  96.329% * 90.5183% (0.26   5.71  32.07) =  99.655%  kept
          HN    ALA  124 - HN    HIS  122   6.53 +/- 0.20   3.272% *  9.1982% (0.09   1.69   0.02) =   0.344%  kept
          HZ2   TRP   49 - HN    HIS  122  21.00 +/- 4.58   0.297% *  0.1347% (0.11   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  22.58 +/- 4.06   0.103% *  0.1489% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.71, residual support = 32.1:
          HN    HIS  122 - HN    LEU  123   2.11 +/- 0.07  96.854% * 99.1105% (0.87   5.71  32.07) =  99.992%  kept
          QE    PHE   59 - HN    LEU  123   7.82 +/- 0.89   2.264% *  0.2105% (0.53   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LEU  123  11.27 +/- 1.51   0.786% *  0.3587% (0.90   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LEU  123  23.79 +/- 4.46   0.095% *  0.3203% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.15, residual support = 12.2:
      O   HA    LEU  123 - HN    ALA  124   2.27 +/- 0.02  97.581% * 99.5133% (1.00  10.0   4.15  12.21) =  99.998%  kept
          HA    ILE   56 - HN    ALA  124  15.61 +/- 2.86   0.449% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  22.74 +/- 8.13   0.227% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  26.52 +/- 8.27   0.207% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  15.34 +/- 3.20   0.542% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  15.87 +/- 1.09   0.302% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  21.97 +/- 7.69   0.302% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  26.61 +/- 6.38   0.293% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  30.34 +/- 6.78   0.098% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 1.81, residual support = 9.15:
      O   HA    ALA  124 - HN    ALA  124   2.77 +/- 0.15  96.130% * 99.5733% (1.00  10.0   1.81   9.15) =  99.997%  kept
          HA    ARG+  54 - HN    ALA  124  18.78 +/- 4.91   2.058% *  0.1064% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ALA  124  15.33 +/- 0.79   0.591% *  0.0494% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  26.81 +/- 6.21   0.321% *  0.0536% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  25.08 +/- 7.39   0.432% *  0.0340% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  29.23 +/- 8.43   0.190% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  29.97 +/- 4.39   0.121% *  0.0883% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  27.86 +/- 7.99   0.157% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 32.1:
      O   HA    HIS  122 - HN    LEU  123   3.43 +/- 0.05  95.862% * 99.8702% (1.00  10.0   4.35  32.07) =  99.998%  kept
          HA    VAL   41 - HN    LEU  123  19.29 +/- 5.85   1.041% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    LEU  123  21.25 +/- 4.03   2.479% *  0.0249% (0.25   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU  123  19.41 +/- 2.57   0.618% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.93, residual support = 202.2:
      O   HA    LEU  123 - HN    LEU  123   2.88 +/- 0.05  92.861% * 99.5133% (1.00  10.0   5.93 202.16) =  99.995%  kept
          HA    ILE   56 - HN    LEU  123  12.85 +/- 2.53   1.630% *  0.0989% (0.99   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    LEU  123  19.82 +/- 7.69   0.843% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  12.88 +/- 2.68   1.980% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  12.84 +/- 0.92   1.132% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  19.42 +/- 7.01   0.823% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  24.72 +/- 7.04   0.349% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  25.17 +/- 4.57   0.249% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  29.34 +/- 5.20   0.133% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.86, residual support = 71.1:
          HD2   HIS  122 - HN    HIS  122   2.59 +/- 0.30  95.910% * 97.2865% (0.11   6.86  71.09) =  99.984%  kept
          HE22  GLN  116 - HN    HIS  122   8.72 +/- 1.25   3.595% *  0.3134% (0.12   0.02   0.02) =   0.012%
          HE22  GLN   17 - HN    HIS  122  22.76 +/- 3.80   0.224% *  0.9007% (0.35   0.02   0.02) =   0.002%
          HE22  GLN   32 - HN    HIS  122  28.96 +/- 6.04   0.153% *  0.7971% (0.31   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    HIS  122  26.48 +/- 3.03   0.118% *  0.7022% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.20 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 = 5.27, residual support = 71.1:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.01  98.539% * 99.8131% (0.30  10.0   5.27  71.09) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  17.89 +/- 5.95   0.964% *  0.1192% (0.35   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    HIS  122  17.99 +/- 2.54   0.497% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.608, support = 5.26, residual support = 181.4:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  61.875% * 38.4533% (0.49  10.0   6.46 313.41) =  57.474%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.02  28.769% * 61.1842% (0.77  10.0   3.65   2.98) =  42.520%  kept
          QB    SER  117 - HN    LYS+ 121   5.96 +/- 0.55   6.833% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          QB    SER   48 - HN    LYS+ 121  19.57 +/- 4.70   0.746% *  0.0508% (0.64   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  17.81 +/- 2.08   0.266% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.97 +/- 2.70   0.313% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  20.16 +/- 3.87   0.282% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  18.28 +/- 3.78   0.422% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  23.79 +/- 3.99   0.129% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  23.97 +/- 2.53   0.107% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.42 +/- 5.87   0.141% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  24.08 +/- 3.49   0.116% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.734, support = 3.58, residual support = 13.4:
      O   HA    ALA  120 - HN    ALA  120   2.73 +/- 0.03  73.786% * 90.7005% (0.74  10.0   3.58  13.58) =  98.671%  kept
          HA    LYS+ 121 - HN    ALA  120   5.28 +/- 0.08  10.264% *  8.0272% (0.35   1.0   3.78   2.98) =   1.215%  kept
          QB    SER  117 - HN    ALA  120   5.03 +/- 0.16  11.888% *  0.6327% (0.12   1.0   0.83   5.54) =   0.111%  kept
          QB    SER   48 - HN    ALA  120  18.74 +/- 4.75   1.188% *  0.0641% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    ALA  120  17.75 +/- 2.00   0.315% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA  120  17.11 +/- 3.41   0.574% *  0.0596% (0.49   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ALA  120  16.34 +/- 2.32   0.414% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  24.23 +/- 3.87   0.146% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  23.56 +/- 2.28   0.128% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  19.51 +/- 4.51   0.707% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  18.94 +/- 3.25   0.327% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  23.56 +/- 3.05   0.142% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.23 +/- 4.67   0.121% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.23, residual support = 12.2:
          HB2   LEU  123 - HN    ALA  124   4.12 +/- 0.10  83.978% * 96.2327% (0.76   4.23  12.21) =  99.920%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.39 +/- 0.27   7.201% *  0.4323% (0.73   0.02   0.02) =   0.038%
          QD    LYS+  38 - HN    ALA  124  23.38 +/- 8.17   1.397% *  0.5632% (0.95   0.02   0.02) =   0.010%
          HG3   PRO   93 - HN    ALA  124  21.63 +/- 3.84   1.406% *  0.4767% (0.80   0.02   0.02) =   0.008%
          QD    LYS+  65 - HN    ALA  124  18.94 +/- 3.79   1.432% *  0.4550% (0.76   0.02   0.02) =   0.008%
          QD    LYS+ 102 - HN    ALA  124  24.91 +/- 7.20   0.646% *  0.5632% (0.95   0.02   0.02) =   0.004%
          HB3   MET   92 - HN    ALA  124  24.10 +/- 4.59   1.610% *  0.2235% (0.38   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    ALA  124  21.91 +/- 1.60   0.616% *  0.2898% (0.49   0.02   0.02) =   0.002%
          HB    VAL   83 - HN    ALA  124  28.80 +/- 3.78   0.325% *  0.4973% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    ALA  124  23.67 +/- 4.53   0.657% *  0.1485% (0.25   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA  124  23.18 +/- 4.07   0.732% *  0.1178% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.15:
      O   QB    ALA  124 - HN    ALA  124   2.22 +/- 0.27  96.545% * 98.5524% (0.65  10.0   1.81   9.15) =  99.997%  kept
          HG3   LYS+  33 - HN    ALA  124  26.34 +/- 7.42   0.580% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  19.38 +/- 5.90   0.470% *  0.0953% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  20.78 +/- 3.12   0.241% *  0.1509% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  17.98 +/- 1.30   0.223% *  0.1286% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  23.35 +/- 6.67   0.205% *  0.1286% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  21.81 +/- 5.74   0.144% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  24.06 +/- 3.01   0.138% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA  124  17.08 +/- 3.25   0.305% *  0.0631% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.84 +/- 3.52   0.220% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  23.38 +/- 4.48   0.159% *  0.1088% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  21.05 +/- 4.00   0.170% *  0.0953% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  27.43 +/- 7.56   0.084% *  0.1156% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  28.28 +/- 4.92   0.168% *  0.0468% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.10 +/- 6.78   0.259% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  27.30 +/- 5.36   0.089% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 5.7, residual support = 26.6:
          HA    ALA  120 - HN    LEU  123   2.68 +/- 0.07  72.922% * 73.8143% (0.99   6.03  28.99) =  90.836%  kept
          HA    LYS+ 121 - HN    LEU  123   4.03 +/- 0.13  21.837% * 24.8318% (0.84   2.41   2.44) =   9.151%  kept
          QB    SER  117 - HN    LEU  123   8.78 +/- 0.36   2.089% *  0.1202% (0.49   0.02   0.02) =   0.004%
          QB    SER   48 - HN    LEU  123  20.43 +/- 5.37   1.044% *  0.2383% (0.97   0.02   0.02) =   0.004%
          HA2   GLY   51 - HN    LEU  123  20.63 +/- 5.17   0.462% *  0.1887% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  19.36 +/- 2.65   0.235% *  0.2215% (0.90   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LEU  123  18.32 +/- 3.01   0.295% *  0.1696% (0.69   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    LEU  123  23.51 +/- 5.00   0.182% *  0.1887% (0.76   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU  123  19.11 +/- 5.29   0.844% *  0.0381% (0.15   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LEU  123  26.01 +/- 2.55   0.090% *  0.1887% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.974, support = 4.63, residual support = 29.9:
          HB3   HIS  122 - HN    LEU  123   3.67 +/- 0.45  73.338% * 80.2313% (0.99   4.88  32.07) =  92.664%  kept
          QE    LYS+ 121 - HN    LEU  123   6.02 +/- 0.93  23.910% * 19.4698% (0.76   1.53   2.44) =   7.331%  kept
          HB3   ASP-  78 - HN    LEU  123  25.20 +/- 6.13   0.880% *  0.1616% (0.49   0.02   0.02) =   0.002%
          HG2   GLN   30 - HN    LEU  123  24.13 +/- 5.59   1.427% *  0.0923% (0.28   0.02   0.02) =   0.002%
          HB3   ASN   28 - HN    LEU  123  26.29 +/- 5.78   0.444% *  0.0449% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.763, support = 5.5, residual support = 201.9:
          HG    LEU  123 - HN    LEU  123   3.43 +/- 0.30  69.642% * 96.6283% (0.76   5.51 202.16) =  99.867%  kept
          HG3   PRO   68 - HN    LEU  123  18.96 +/- 7.12   6.706% *  0.3984% (0.87   0.02   0.02) =   0.040%
          HG2   ARG+  54 - HN    LEU  123  17.90 +/- 4.84   5.261% *  0.3678% (0.80   0.02   0.02) =   0.029%
          HB3   PRO   52 - HN    LEU  123  17.47 +/- 5.37   3.778% *  0.3510% (0.76   0.02   0.02) =   0.020%
          HB3   ASP- 105 - HN    LEU  123  14.32 +/- 7.51   3.506% *  0.3510% (0.76   0.02   0.02) =   0.018%
          QB    LYS+  33 - HN    LEU  123  23.16 +/- 5.93   1.840% *  0.2971% (0.65   0.02   0.02) =   0.008%
          QB    LYS+  66 - HN    LEU  123  15.32 +/- 4.84   3.244% *  0.0909% (0.20   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU  123  16.02 +/- 4.76   1.130% *  0.2059% (0.45   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    LEU  123  20.83 +/- 6.70   0.565% *  0.3836% (0.84   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU  123  12.33 +/- 2.73   2.531% *  0.0622% (0.14   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU  123  20.31 +/- 6.45   0.617% *  0.2236% (0.49   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LEU  123  20.29 +/- 6.06   0.700% *  0.1567% (0.34   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    LEU  123  25.30 +/- 3.24   0.261% *  0.2600% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU  123  25.54 +/- 3.23   0.221% *  0.2236% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.88, residual support = 198.5:
      O   HB2   LEU  123 - HN    LEU  123   2.40 +/- 0.30  86.070% * 86.3408% (0.76  10.0   5.93 202.16) =  98.183%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.06 +/- 0.09  10.539% * 13.0264% (0.73   1.0   3.18   2.44) =   1.814%  kept
          HG3   PRO   93 - HN    LEU  123  18.15 +/- 3.53   0.674% *  0.0905% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    LEU  123  20.60 +/- 4.11   0.689% *  0.0424% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    LEU  123  16.82 +/- 2.55   0.319% *  0.0863% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  21.95 +/- 7.09   0.235% *  0.1069% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  22.14 +/- 7.04   0.192% *  0.1069% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.55 +/- 1.33   0.272% *  0.0550% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  25.45 +/- 3.07   0.142% *  0.0944% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  20.29 +/- 3.78   0.534% *  0.0224% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.82 +/- 4.48   0.332% *  0.0282% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.871, support = 6.34, residual support = 202.1:
          QD1   LEU  123 - HN    LEU  123   2.19 +/- 0.15  79.302% * 84.7725% (0.90   6.35 202.16) =  96.589%  kept
          QD2   LEU  123 - HN    LEU  123   4.05 +/- 0.48  16.604% * 14.2457% (0.15   6.20 202.16) =   3.399%  kept
          QG1   VAL   70 - HN    LEU  123  14.01 +/- 4.79   1.312% *  0.2047% (0.69   0.02   0.02) =   0.004%
          QD1   LEU   71 - HN    LEU  123  18.24 +/- 5.18   0.939% *  0.2672% (0.90   0.02   0.02) =   0.004%
          HB3   LEU  104 - HN    LEU  123  16.48 +/- 8.31   0.756% *  0.2953% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LEU  123  16.30 +/- 3.12   0.311% *  0.1687% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU  123  14.64 +/- 3.82   0.775% *  0.0460% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.245, support = 7.05, residual support = 37.5:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.02  46.491% * 65.6864% (0.20  10.0   7.50  55.20) =  66.826%  kept
          HA    ALA  120 - HN    HIS  122   3.54 +/- 0.10  45.040% * 33.6506% (0.33   1.0   6.13   1.99) =  33.165%  kept
          QB    SER  117 - HN    HIS  122   8.09 +/- 0.41   3.856% *  0.0289% (0.09   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    HIS  122  19.45 +/- 4.90   1.001% *  0.0887% (0.27   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    HIS  122  17.03 +/- 2.66   0.524% *  0.1071% (0.33   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    HIS  122  18.17 +/- 4.71   1.146% *  0.0396% (0.12   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    HIS  122  19.83 +/- 4.76   0.667% *  0.0565% (0.17   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  17.90 +/- 2.83   0.415% *  0.0751% (0.23   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    HIS  122  22.68 +/- 4.45   0.264% *  0.1120% (0.34   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    HIS  122  24.83 +/- 2.29   0.143% *  0.1120% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.82 +/- 6.31   0.305% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  25.27 +/- 3.23   0.148% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 6.49, residual support = 17.7:
          HA    ILE  119 - HN    HIS  122   3.48 +/- 0.15  76.244% * 63.3368% (0.27   6.71  19.67) =  88.329%  kept
          HA    THR  118 - HN    HIS  122   5.75 +/- 0.19  17.661% * 36.0983% (0.21   4.82   3.06) =  11.661%  kept
          HD3   PRO   58 - HN    HIS  122  11.49 +/- 2.69   3.751% *  0.0687% (0.10   0.02   0.02) =   0.005%
          HB2   TRP   49 - HN    HIS  122  22.49 +/- 5.44   0.736% *  0.1697% (0.24   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    HIS  122  18.93 +/- 2.78   0.589% *  0.1300% (0.19   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    HIS  122  17.90 +/- 2.61   0.738% *  0.0763% (0.11   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  23.06 +/- 2.20   0.280% *  0.1203% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.18 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 = 5.39, residual support = 71.1:
      O   HB2   HIS  122 - HN    HIS  122   3.37 +/- 0.50  91.707% * 99.5910% (0.11  10.0   5.39  71.09) =  99.991%  kept
          HA    LYS+ 112 - HN    HIS  122  13.15 +/- 0.82   1.899% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
          HA    LEU   63 - HN    HIS  122  13.12 +/- 3.72   5.356% *  0.0565% (0.06   1.0   0.02   0.02) =   0.003%
          HB2   HIS   22 - HN    HIS  122  25.12 +/- 6.48   1.038% *  0.1698% (0.19   1.0   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.318, support = 6.53, residual support = 69.9:
      O   HB3   HIS  122 - HN    HIS  122   2.88 +/- 0.46  71.818% * 82.5335% (0.33  10.0   6.54  71.09) =  92.599%  kept
          QE    LYS+ 121 - HN    HIS  122   4.87 +/- 0.91  27.235% * 17.3930% (0.21   1.0   6.41  55.20) =   7.400%  kept
          HB3   ASP-  78 - HN    HIS  122  23.94 +/- 5.38   0.472% *  0.0578% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  23.04 +/- 5.31   0.475% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.311, support = 7.47, residual support = 51.9:
          HB2   LYS+ 121 - HN    HIS  122   3.28 +/- 0.12  62.123% * 73.3705% (0.33   7.83  55.20) =  85.571%  kept
          HB2   LEU  123 - HN    HIS  122   4.23 +/- 0.28  30.036% * 25.5671% (0.17   5.30  32.07) =  14.417%  kept
          HG3   PRO   93 - HN    HIS  122  16.99 +/- 3.33   1.330% *  0.1042% (0.19   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    HIS  122  15.76 +/- 2.12   0.685% *  0.1911% (0.34   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    HIS  122  21.16 +/- 6.90   0.453% *  0.1963% (0.35   0.02   0.02) =   0.002%
          QB    ALA   57 - HN    HIS  122  11.45 +/- 2.36   2.392% *  0.0347% (0.06   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    HIS  122  21.06 +/- 7.23   0.430% *  0.1438% (0.26   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  18.93 +/- 3.54   0.507% *  0.0814% (0.15   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    HIS  122  19.41 +/- 3.76   1.081% *  0.0347% (0.06   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  24.04 +/- 2.74   0.190% *  0.1963% (0.35   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.82 +/- 1.30   0.412% *  0.0494% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.61 +/- 1.30   0.360% *  0.0306% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.276, support = 6.63, residual support = 55.2:
          HB3   LYS+ 121 - HN    HIS  122   4.16 +/- 0.24  42.941% * 66.7234% (0.35   6.29  55.20) =  64.756%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.07 +/- 0.82  48.231% * 32.3032% (0.15   7.26  55.20) =  35.213%  kept
          HG    LEU  104 - HN    HIS  122  16.44 +/- 8.40   2.162% *  0.2121% (0.35   0.02   0.02) =   0.010%
          QD    LYS+  66 - HN    HIS  122  15.49 +/- 4.45   2.545% *  0.1733% (0.28   0.02   0.02) =   0.010%
          HB3   LYS+ 111 - HN    HIS  122  15.88 +/- 1.19   0.729% *  0.1998% (0.33   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    HIS  122  19.52 +/- 3.73   0.623% *  0.1941% (0.32   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HN    HIS  122  23.96 +/- 5.93   1.108% *  0.0602% (0.10   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    HIS  122  20.53 +/- 4.37   1.057% *  0.0602% (0.10   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    HIS  122  17.52 +/- 2.17   0.604% *  0.0738% (0.12   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.33, residual support = 32.1:
          QD1   LEU  123 - HN    HIS  122   2.84 +/- 0.18  85.482% * 98.4932% (0.31   6.34  32.07) =  99.952%  kept
          QG1   VAL   70 - HN    HIS  122  12.90 +/- 4.73   4.717% *  0.3552% (0.35   0.02   0.02) =   0.020%
          QD1   LEU   71 - HN    HIS  122  17.34 +/- 5.03   3.045% *  0.3109% (0.31   0.02   0.02) =   0.011%
          HB3   LEU   63 - HN    HIS  122  13.31 +/- 3.74   2.531% *  0.2318% (0.23   0.02   0.02) =   0.007%
          HB3   LEU  104 - HN    HIS  122  15.26 +/- 8.51   2.749% *  0.1886% (0.19   0.02   0.02) =   0.006%
          QG1   VAL   18 - HN    HIS  122  15.41 +/- 2.80   0.767% *  0.3576% (0.35   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    HIS  122  15.95 +/- 2.84   0.708% *  0.0628% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.18 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 = 0.564, support = 3.58, residual support = 7.34:
          HA    ILE  119 - HN    LYS+ 121   3.81 +/- 0.12  42.796% * 66.0508% (0.61   4.17   8.54) =  61.524%  kept
          HA    THR  118 - HN    LYS+ 121   3.52 +/- 0.15  53.548% * 33.0017% (0.49   2.63   5.42) =  38.463%  kept
          HD3   PRO   58 - HN    LYS+ 121  12.24 +/- 2.07   1.704% *  0.1152% (0.22   0.02   0.02) =   0.004%
          HB2   TRP   49 - HN    LYS+ 121  22.64 +/- 4.88   0.440% *  0.2847% (0.55   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    LYS+ 121  18.94 +/- 2.92   0.470% *  0.2180% (0.42   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    LYS+ 121  16.11 +/- 2.70   0.799% *  0.1279% (0.25   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    LYS+ 121  22.21 +/- 2.39   0.243% *  0.2017% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 6.93, residual support = 311.0:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.43 +/- 0.31  85.053% * 93.7875% (0.76  10.0   6.96 313.41) =  99.238%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.12 +/- 0.55  10.748% *  5.6807% (0.39   1.0   2.35   2.44) =   0.760%  kept
          QD    LYS+  65 - HN    LYS+ 121  16.50 +/- 1.69   0.343% *  0.0957% (0.77   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  16.12 +/- 3.18   0.561% *  0.0522% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  20.29 +/- 7.10   0.327% *  0.0720% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  21.83 +/- 6.36   0.231% *  0.0983% (0.79   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  12.11 +/- 1.78   1.156% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  23.46 +/- 2.96   0.145% *  0.0983% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  19.34 +/- 3.62   0.268% *  0.0408% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.46 +/- 3.65   0.543% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  16.17 +/- 1.56   0.338% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  16.90 +/- 1.65   0.289% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.515, support = 5.33, residual support = 219.1:
          HD2   LYS+ 121 - HN    LYS+ 121   3.93 +/- 0.65  29.942% * 82.3642% (0.64   6.13 313.41) =  69.618%  kept
          QB    ALA  120 - HN    LYS+ 121   2.80 +/- 0.08  65.963% * 16.3062% (0.22   3.50   2.98) =  30.364%  kept
          HG    LEU  115 - HN    LYS+ 121   9.69 +/- 1.10   1.974% *  0.0933% (0.22   0.02   0.02) =   0.005%
          HB3   LEU   40 - HN    LYS+ 121  17.64 +/- 6.62   0.715% *  0.1633% (0.39   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    LYS+ 121  21.20 +/- 4.22   0.336% *  0.3096% (0.74   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HN    LYS+ 121  19.88 +/- 3.83   0.289% *  0.3347% (0.80   0.02   0.02) =   0.003%
          QD    LYS+  66 - HN    LYS+ 121  16.40 +/- 4.04   0.534% *  0.1379% (0.33   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    LYS+ 121  18.40 +/- 1.66   0.247% *  0.2909% (0.70   0.02   0.02) =   0.002%
    Distance limit 2.92 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 = 0.763, support = 5.81, residual support = 308.2:
          HG2   LYS+ 121 - HN    LYS+ 121   4.25 +/- 0.21  65.178% * 94.4831% (0.77   5.88 313.41) =  98.306%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.23 +/- 0.34  21.810% *  4.6979% (0.16   1.43   8.54) =   1.636%  kept
          QG2   VAL  107 - HN    LYS+ 121   9.82 +/- 3.31   8.801% *  0.3300% (0.79   0.02   0.02) =   0.046%
          HG13  ILE  103 - HN    LYS+ 121  17.97 +/- 6.48   1.794% *  0.2154% (0.52   0.02   0.02) =   0.006%
          QB    ALA   20 - HN    LYS+ 121  18.99 +/- 3.78   1.420% *  0.2154% (0.52   0.02   0.02) =   0.005%
          HB3   LEU   31 - HN    LYS+ 121  22.06 +/- 5.58   0.997% *  0.0583% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.16 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.697, support = 2.14, residual support = 2.43:
          QD1   LEU  123 - HN    LYS+ 121   4.41 +/- 0.20  56.448% * 87.8877% (0.72   2.18   2.44) =  96.161%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.38 +/- 0.56  19.980% *  9.1472% (0.12   1.32   2.44) =   3.542%  kept
          HB3   LEU  104 - HN    LYS+ 121  14.48 +/- 8.26   8.478% *  0.8918% (0.79   0.02   0.02) =   0.147%  kept
          QG1   VAL   70 - HN    LYS+ 121  13.54 +/- 4.34   6.530% *  0.6181% (0.55   0.02   0.02) =   0.078%
          QD1   LEU   71 - HN    LYS+ 121  18.10 +/- 4.64   2.951% *  0.8069% (0.72   0.02   0.02) =   0.046%
          QG1   VAL   18 - HN    LYS+ 121  16.09 +/- 2.61   1.491% *  0.5094% (0.45   0.02   0.02) =   0.015%
          HB3   LEU   63 - HN    LYS+ 121  14.01 +/- 3.78   4.122% *  0.1388% (0.12   0.02   0.02) =   0.011%
    Distance limit 4.21 A violated in 0 structures by 0.14 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.13, residual support = 52.3:
          HB    ILE  119 - HN    ALA  120   2.85 +/- 0.13  93.672% * 97.5254% (0.90   5.13  52.36) =  99.983%  kept
          HB    VAL  108 - HN    ALA  120  15.41 +/- 3.40   0.859% *  0.3237% (0.77   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    ALA  120  16.72 +/- 2.75   0.783% *  0.2962% (0.71   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    ALA  120  23.14 +/- 4.20   0.572% *  0.3798% (0.90   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    ALA  120  14.05 +/- 2.31   1.138% *  0.1737% (0.41   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ALA  120  20.36 +/- 5.02   0.666% *  0.2350% (0.56   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ALA  120  23.64 +/- 4.18   0.416% *  0.3666% (0.87   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ALA  120  12.61 +/- 1.50   1.196% *  0.1196% (0.28   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ALA  120  24.16 +/- 5.97   0.251% *  0.3867% (0.92   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ALA  120  22.78 +/- 3.96   0.253% *  0.0966% (0.23   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  24.00 +/- 3.23   0.193% *  0.0966% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.485, support = 4.02, residual support = 13.5:
      O   QB    ALA  120 - HN    ALA  120   2.11 +/- 0.07  90.869% * 82.3197% (0.49  10.0   4.02  13.58) =  98.927%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.26 +/- 0.86   4.930% * 15.6029% (0.49   1.0   3.79   2.98) =   1.017%  kept
          HG    LEU  115 - HN    ALA  120   7.95 +/- 1.27   2.609% *  1.5559% (0.49   1.0   0.38   0.02) =   0.054%
          HB3   LEU   40 - HN    ALA  120  18.51 +/- 5.36   0.272% *  0.1196% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.73 +/- 3.87   0.205% *  0.1444% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.39 +/- 4.02   0.189% *  0.1075% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  18.18 +/- 1.74   0.163% *  0.0949% (0.56   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  16.21 +/- 4.07   0.382% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  18.11 +/- 4.69   0.381% *  0.0241% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 5.74, residual support = 52.3:
          QG2   ILE  119 - HN    ALA  120   3.44 +/- 0.37  89.199% * 96.6791% (0.49   5.74  52.36) =  99.938%  kept
          QG2   ILE  103 - HN    ALA  120  14.07 +/- 4.68   2.255% *  0.5743% (0.83   0.02   0.02) =   0.015%
          QD1   LEU   67 - HN    ALA  120  14.74 +/- 3.76   2.417% *  0.5127% (0.74   0.02   0.02) =   0.014%
          QD2   LEU   40 - HN    ALA  120  14.35 +/- 4.59   2.150% *  0.4894% (0.71   0.02   0.02) =   0.012%
          QD1   ILE  103 - HN    ALA  120  16.43 +/- 4.63   1.218% *  0.4650% (0.67   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HN    ALA  120  20.00 +/- 3.89   0.908% *  0.6180% (0.89   0.02   0.02) =   0.007%
          QD2   LEU   71 - HN    ALA  120  18.01 +/- 3.16   0.953% *  0.5348% (0.77   0.02   0.02) =   0.006%
          HB    VAL   75 - HN    ALA  120  17.28 +/- 2.22   0.900% *  0.1267% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.252, support = 2.78, residual support = 15.3:
      O   QB    SER  117 - HN    SER  117   2.26 +/- 0.18  90.989% * 87.8619% (0.25  10.0   2.79  15.38) =  99.601%  kept
          HA    ALA  120 - HN    SER  117   7.31 +/- 0.45   3.061% * 10.0128% (0.95   1.0   0.60   5.54) =   0.382%  kept
          QB    SER   48 - HN    SER  117  17.97 +/- 4.41   2.812% *  0.2693% (0.76   1.0   0.02   0.02) =   0.009%
          HA    LYS+ 121 - HN    SER  117   9.22 +/- 0.93   1.595% *  0.1995% (0.57   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    SER  117  14.26 +/- 2.09   0.434% *  0.2279% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  18.51 +/- 1.28   0.178% *  0.3253% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    SER  117  21.74 +/- 2.53   0.119% *  0.3401% (0.97   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER  117  16.02 +/- 2.06   0.309% *  0.1202% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  18.10 +/- 2.01   0.211% *  0.1715% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  25.69 +/- 3.58   0.075% *  0.3401% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  21.18 +/- 3.17   0.146% *  0.0617% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.41 +/- 2.96   0.070% *  0.0697% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.384, support = 5.17, residual support = 28.2:
          HG3   GLN  116 - HN    SER  117   4.95 +/- 0.39  39.637% * 69.0421% (0.49   5.05  28.22) =  64.569%  kept
          HG2   GLN  116 - HN    SER  117   4.56 +/- 0.80  50.042% * 29.9494% (0.20   5.39  28.22) =  35.362%  kept
          HG2   GLU-  25 - HN    SER  117  28.74 +/- 5.55   3.208% *  0.5505% (0.98   0.02   0.02) =   0.042%
          HB3   PHE   95 - HN    SER  117  10.42 +/- 2.28   6.182% *  0.1400% (0.25   0.02   0.02) =   0.020%
          HB3   TRP   87 - HN    SER  117  18.72 +/- 2.86   0.931% *  0.3180% (0.57   0.02   0.02) =   0.007%
    Distance limit 4.20 A violated in 0 structures by 0.17 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.9, residual support = 28.2:
          HB2   GLN  116 - HN    SER  117   3.34 +/- 0.36  94.481% * 98.7750% (0.97   4.90  28.22) =  99.981%  kept
          HB3   PHE   97 - HN    SER  117  14.11 +/- 3.96   1.988% *  0.4178% (1.00   0.02   0.02) =   0.009%
          HB2   PRO   58 - HN    SER  117  12.27 +/- 1.96   2.259% *  0.3034% (0.73   0.02   0.02) =   0.007%
          QG    GLU-  79 - HN    SER  117  20.61 +/- 3.56   1.002% *  0.1290% (0.31   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    SER  117  24.84 +/- 3.58   0.270% *  0.3747% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.15 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 6.87, residual support = 111.8:
          HG2   GLN  116 - HN    GLN  116   3.58 +/- 0.65  93.025% * 91.5942% (0.73   6.91 112.53) =  99.382%  kept
          HB3   PHE   95 - HN    GLN  116  10.00 +/- 1.97   6.487% *  8.1407% (0.80   0.56   0.02) =   0.616%  kept
          HG2   GLU-  25 - HN    GLN  116  28.19 +/- 4.97   0.488% *  0.2651% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.19 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.52, residual support = 112.5:
      O   HB2   GLN  116 - HN    GLN  116   2.20 +/- 0.14  98.071% * 99.6757% (0.98  10.0   7.52 112.53) =  99.999%  kept
          HB2   PRO   58 - HN    GLN  116  10.96 +/- 1.66   1.133% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLN  116  14.58 +/- 3.17   0.445% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  19.78 +/- 3.40   0.215% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  25.42 +/- 2.74   0.070% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.15 +/- 2.19   0.066% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 7.08, residual support = 85.0:
          HB2   LEU  115 - HN    GLN  116   3.46 +/- 0.53  60.483% * 64.4126% (0.80   7.57 102.28) =  82.792%  kept
          QB    GLU- 114 - HN    GLN  116   5.02 +/- 0.33  23.269% * 34.7508% (0.69   4.76   1.98) =  17.184%  kept
          HG3   PRO   58 - HN    GLN  116  10.83 +/- 1.80   2.872% *  0.1776% (0.84   0.02   0.02) =   0.011%
          HB2   LYS+ 111 - HN    GLN  116   7.01 +/- 1.15  10.617% *  0.0328% (0.15   0.02   0.02) =   0.007%
          HG2   PRO   68 - HN    GLN  116  19.95 +/- 4.35   0.537% *  0.1776% (0.84   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLN  116  22.14 +/- 3.71   0.434% *  0.1625% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  18.13 +/- 3.16   0.546% *  0.0874% (0.41   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  19.59 +/- 3.83   0.561% *  0.0421% (0.20   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN  116  27.83 +/- 4.51   0.200% *  0.0725% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  23.35 +/- 4.05   0.279% *  0.0421% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  24.83 +/- 2.87   0.203% *  0.0421% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.16 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.848, support = 8.43, residual support = 100.6:
          HG    LEU  115 - HN    GLN  116   3.42 +/- 1.09  51.185% * 39.1737% (0.73   8.56 102.28) =  50.573%  kept
          HB3   LEU  115 - HN    GLN  116   3.97 +/- 0.50  36.011% * 52.6321% (0.98   8.52 102.28) =  47.804%  kept
          QB    ALA  120 - HN    GLN  116   6.51 +/- 0.83   8.369% *  7.6500% (0.73   1.67   0.27) =   1.615%  kept
          QG    LYS+  66 - HN    GLN  116  15.12 +/- 3.73   1.955% *  0.0473% (0.38   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    GLN  116  18.26 +/- 3.19   0.567% *  0.1260% (1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    GLN  116  18.22 +/- 2.08   0.448% *  0.1235% (0.98   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN  116  19.36 +/- 3.52   0.419% *  0.0714% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    GLN  116  19.75 +/- 2.43   0.354% *  0.0613% (0.49   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    GLN  116  24.26 +/- 3.64   0.174% *  0.0866% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  18.45 +/- 3.21   0.518% *  0.0281% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.8, residual support = 102.3:
          QD1   LEU  115 - HN    GLN  116   3.94 +/- 0.61  94.934% * 99.6395% (0.49   7.80 102.28) =  99.981%  kept
          QG1   VAL   75 - HN    GLN  116  13.22 +/- 2.30   5.066% *  0.3605% (0.69   0.02   0.02) =   0.019%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.2, residual support = 102.2:
          QD2   LEU  115 - HN    GLN  116   2.65 +/- 0.64  88.716% * 98.6142% (0.57  10.18 102.28) =  99.969%  kept
          QD1   LEU   63 - HN    GLN  116  10.97 +/- 3.34   4.062% *  0.3068% (0.90   0.02   0.02) =   0.014%
          QD2   LEU   63 - HN    GLN  116  11.34 +/- 3.18   3.391% *  0.2858% (0.84   0.02   0.02) =   0.011%
          QD1   LEU   73 - HN    GLN  116  16.68 +/- 3.07   0.753% *  0.3068% (0.90   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    GLN  116  15.12 +/- 2.59   0.933% *  0.1056% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  18.73 +/- 3.67   0.415% *  0.1800% (0.53   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    GLN  116  17.45 +/- 1.52   0.540% *  0.0951% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  16.88 +/- 2.15   0.799% *  0.0528% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  18.59 +/- 3.90   0.392% *  0.0528% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.712, support = 2.07, residual support = 15.2:
          QD1   ILE  119 - HN    GLN  116   4.70 +/- 0.74  53.072% * 92.4602% (0.73   2.15  15.85) =  95.859%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.82 +/- 1.51  38.871% *  5.2102% (0.38   0.23   0.02) =   3.956%  kept
          QG2   VAL  108 - HN    GLN  116  10.55 +/- 1.98   6.157% *  1.1855% (1.00   0.02   0.02) =   0.143%  kept
          HB2   LEU  104 - HN    GLN  116  16.35 +/- 3.49   1.900% *  1.1441% (0.97   0.02   0.02) =   0.042%
    Distance limit 4.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 0.997, residual support = 2.54:
          HA    LYS+ 112 - HN    LEU  115   3.24 +/- 0.35  96.135% * 95.9350% (0.90   1.00   2.54) =  99.916%  kept
          HB    THR   46 - HN    LEU  115  12.38 +/- 2.50   2.375% *  1.9220% (0.90   0.02   0.02) =   0.049%
          HB2   HIS  122 - HN    LEU  115  13.54 +/- 0.74   1.490% *  2.1431% (1.00   0.02   0.02) =   0.035%
    Distance limit 4.34 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 = 0.247, support = 4.97, residual support = 97.8:
          HB2   GLN  116 - HN    LEU  115   4.67 +/- 0.13  78.855% * 66.6632% (0.22   5.17 102.28) =  95.574%  kept
          HB2   PRO   58 - HN    LEU  115  12.07 +/- 1.73   7.574% * 31.3173% (0.80   0.68   0.02) =   4.312%  kept
          HG2   PRO   52 - HN    LEU  115  12.44 +/- 2.88   6.677% *  0.5189% (0.45   0.02   0.02) =   0.063%
          HB3   PHE   97 - HN    LEU  115  14.26 +/- 2.62   3.613% *  0.3948% (0.34   0.02   0.02) =   0.026%
          HG3   GLU-  25 - HN    LEU  115  28.88 +/- 4.77   1.328% *  0.7487% (0.65   0.02   0.02) =   0.018%
          HB2   GLU-  79 - HN    LEU  115  20.15 +/- 3.43   1.417% *  0.1786% (0.15   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    LEU  115  25.30 +/- 2.04   0.535% *  0.1786% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.34 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.791, support = 7.19, residual support = 207.8:
      O   HB2   LEU  115 - HN    LEU  115   2.31 +/- 0.37  61.547% * 80.4746% (0.80  10.0   7.35 225.45) =  91.362%  kept
          QB    GLU- 114 - HN    LEU  115   3.31 +/- 0.31  24.465% * 19.1299% (0.69   1.0   5.54  21.36) =   8.633%  kept
          HB2   LYS+ 111 - HN    LEU  115   5.15 +/- 1.39  12.520% *  0.0155% (0.15   1.0   0.02   0.02) =   0.004%
          HG3   PRO   58 - HN    LEU  115  11.99 +/- 1.70   0.595% *  0.0839% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LEU  115  20.21 +/- 4.20   0.186% *  0.0839% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  18.19 +/- 3.10   0.207% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  22.36 +/- 3.52   0.095% *  0.0768% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  19.86 +/- 3.84   0.167% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  27.64 +/- 4.24   0.075% *  0.0343% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  23.81 +/- 4.06   0.084% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  25.18 +/- 2.98   0.060% *  0.0199% (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 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.932, support = 7.5, residual support = 225.4:
      O   HB3   LEU  115 - HN    LEU  115   3.06 +/- 0.45  51.027% * 78.0576% (0.98  10.0   7.52 225.45) =  80.989%  kept
          HG    LEU  115 - HN    LEU  115   3.52 +/- 0.92  43.391% * 21.5407% (0.73   1.0   7.45 225.45) =  19.005%  kept
          QB    ALA  120 - HN    LEU  115   8.23 +/- 0.62   2.458% *  0.0578% (0.73   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LEU  115  15.43 +/- 3.66   1.605% *  0.0299% (0.38   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU  115  18.32 +/- 3.13   0.322% *  0.0796% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU  115  18.31 +/- 1.76   0.240% *  0.0781% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.20 +/- 3.52   0.378% *  0.0451% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  19.97 +/- 1.96   0.189% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  23.72 +/- 3.10   0.118% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  18.53 +/- 3.07   0.273% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 1.39, residual support = 6.49:
          QG2   VAL  107 - HN    LEU  115   5.23 +/- 2.64  50.397% * 45.1587% (0.53   1.49   6.59) =  74.172%  kept
          HG13  ILE  119 - HN    LEU  115   7.27 +/- 1.11  10.124% * 41.5646% (0.73   1.00   9.47) =  13.714%  kept
          HD3   LYS+ 112 - HN    LEU  115   5.57 +/- 1.52  35.832% * 10.2875% (0.15   1.16   2.54) =  12.014%  kept
          QB    ALA   20 - HN    LEU  115  18.58 +/- 3.92   1.326% *  1.1457% (1.00   0.02   0.02) =   0.050%
          HG2   LYS+ 121 - HN    LEU  115  13.42 +/- 1.15   1.411% *  0.8776% (0.76   0.02   0.02) =   0.040%
          HB3   LEU   31 - HN    LEU  115  23.60 +/- 2.02   0.247% *  0.7888% (0.69   0.02   0.02) =   0.006%
          HG13  ILE  103 - HN    LEU  115  17.57 +/- 2.54   0.663% *  0.1772% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.0, residual support = 225.4:
          QD2   LEU  115 - HN    LEU  115   3.70 +/- 0.42  84.574% * 98.8167% (0.65   9.01 225.45) =  99.971%  kept
          QD1   LEU   63 - HN    LEU  115  11.37 +/- 3.29   6.536% *  0.1047% (0.31   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    LEU  115  15.09 +/- 1.97   1.630% *  0.3043% (0.90   0.02   0.02) =   0.006%
          QG1   VAL   83 - HN    LEU  115  16.93 +/- 2.87   1.222% *  0.3209% (0.95   0.02   0.02) =   0.005%
          QG2   ILE   89 - HN    LEU  115  12.35 +/- 1.90   2.721% *  0.1157% (0.34   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    LEU  115  18.02 +/- 3.41   1.300% *  0.2330% (0.69   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU  115  16.46 +/- 3.13   2.016% *  0.1047% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.4, residual support = 225.4:
          QD1   LEU  115 - HN    LEU  115   3.76 +/- 0.46  95.172% * 99.6817% (0.80   7.40 225.45) =  99.984%  kept
          QG1   VAL   75 - HN    LEU  115  12.59 +/- 1.90   4.828% *  0.3183% (0.95   0.02   0.02) =   0.016%
    Distance limit 4.55 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 = 0.577, support = 6.78, residual support = 139.1:
      O   HB    ILE  103 - HN    ILE  103   2.21 +/- 0.16  66.852% * 64.9960% (0.53  10.0   6.74 139.10) =  81.449%  kept
          HG12  ILE  103 - HN    ILE  103   3.24 +/- 0.56  28.859% * 34.2852% (0.80   1.0   6.93 139.10) =  18.547%  kept
          HB    VAL   41 - HN    ILE  103  11.18 +/- 3.37   0.991% *  0.0799% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ILE  103   9.11 +/- 0.42   0.940% *  0.0554% (0.45   1.0   0.02   3.05) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   8.08 +/- 0.91   1.476% *  0.0244% (0.20   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ILE  103  22.97 +/- 5.55   0.080% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.72 +/- 3.12   0.204% *  0.0421% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  21.23 +/- 3.22   0.093% *  0.0699% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  25.87 +/- 3.60   0.050% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  20.14 +/- 2.23   0.095% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.22 +/- 3.55   0.131% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.93 +/- 2.59   0.102% *  0.0343% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.68 +/- 2.94   0.044% *  0.0601% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.42 +/- 1.11   0.084% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.24, residual support = 139.0:
          HG13  ILE  103 - HN    ILE  103   3.69 +/- 0.50  86.761% * 98.5464% (0.65   6.24 139.10) =  99.962%  kept
          QG2   VAL  107 - HN    ILE  103  12.55 +/- 0.85   2.581% *  0.4841% (0.99   0.02   0.02) =   0.015%
          HG2   LYS+ 121 - HN    ILE  103  18.77 +/- 9.54   2.026% *  0.4714% (0.97   0.02   0.02) =   0.011%
          HB3   LEU   31 - HN    ILE  103  13.58 +/- 5.83   6.544% *  0.0855% (0.18   0.02   0.02) =   0.007%
          QB    ALA   20 - HN    ILE  103  18.40 +/- 3.15   1.303% *  0.3160% (0.65   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    ILE  103  20.29 +/- 4.82   0.784% *  0.0967% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.05 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.77, support = 6.16, residual support = 139.1:
          QG2   ILE  103 - HN    ILE  103   3.60 +/- 0.07  33.756% * 71.1859% (1.00   6.50 139.10) =  58.320%  kept
          QD1   ILE  103 - HN    ILE  103   2.75 +/- 0.80  61.525% * 27.8982% (0.45   5.68 139.10) =  41.659%  kept
          QD2   LEU   40 - HN    ILE  103   9.69 +/- 3.65   2.618% *  0.2114% (0.97   0.02   0.02) =   0.013%
          QD1   LEU   67 - HN    ILE  103  15.16 +/- 2.33   0.558% *  0.2148% (0.98   0.02   0.02) =   0.003%
          QD2   LEU   71 - HN    ILE  103  14.72 +/- 2.52   0.532% *  0.1240% (0.57   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  103  19.86 +/- 2.44   0.193% *  0.2148% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  16.21 +/- 2.51   0.412% *  0.0901% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  18.09 +/- 4.35   0.407% *  0.0609% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 0.465, support = 7.03, residual support = 201.0:
          HG    LEU  104 - HN    LEU  104   3.21 +/- 0.59  73.179% * 76.0991% (0.45   7.46 216.46) =  92.866%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.40 +/- 1.49  19.047% * 22.3636% (0.69   1.43   0.33) =   7.103%  kept
          HB3   LYS+ 121 - HN    LEU  104  14.29 +/- 8.67   5.516% *  0.2041% (0.45   0.02   0.02) =   0.019%
          HG2   LYS+  33 - HN    LEU  104  18.15 +/- 2.57   0.554% *  0.4513% (0.99   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HN    LEU  104  18.13 +/- 3.52   0.784% *  0.2578% (0.57   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    LEU  104  18.60 +/- 1.93   0.527% *  0.2762% (0.61   0.02   0.02) =   0.002%
          QG    LYS+  81 - HN    LEU  104  20.22 +/- 2.86   0.394% *  0.3480% (0.76   0.02   0.02) =   0.002%
    Distance limit 3.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.283, support = 6.98, residual support = 125.9:
          QG2   ILE  103 - HN    LEU  104   2.09 +/- 0.25  64.425% * 33.0491% (0.34   1.0   6.52  39.20) =  51.042%  kept
      O   HB2   LEU  104 - HN    LEU  104   2.77 +/- 0.21  30.858% * 66.1598% (0.22  10.0   7.46 216.46) =  48.941%  kept
          QD2   LEU   40 - HN    LEU  104   7.53 +/- 3.80   3.537% *  0.1446% (0.49   1.0   0.02   0.02) =   0.012%
          HB    VAL   75 - HN    LEU  104  14.23 +/- 2.17   0.274% *  0.2945% (0.99   1.0   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    LEU  104  13.03 +/- 2.90   0.451% *  0.1332% (0.45   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    LEU  104  14.22 +/- 3.79   0.338% *  0.1446% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU  104  18.18 +/- 2.07   0.116% *  0.0741% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.783, support = 7.52, residual support = 184.5:
          QD2   LEU  104 - HN    LEU  104   2.64 +/- 0.84  71.745% * 65.2313% (0.80   8.00 216.46) =  84.554%  kept
          QD1   LEU   98 - HN    LEU  104   4.54 +/- 0.58  24.753% * 34.5286% (0.69   4.93   9.79) =  15.442%  kept
          QD1   ILE   19 - HN    LEU  104  15.74 +/- 2.11   0.919% *  0.1318% (0.65   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LEU  104  15.04 +/- 2.99   1.896% *  0.0454% (0.22   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LEU  104  14.55 +/- 1.89   0.688% *  0.0629% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 0.651, support = 7.61, residual support = 55.7:
          HB2   PHE   97 - HN    ASP- 105   2.28 +/- 0.62  70.959% * 72.2714% (0.69   7.80  58.73) =  91.437%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.11 +/- 1.20  23.801% * 19.5332% (0.25   5.80  24.44) =   8.289%  kept
          QE    LYS+  99 - HN    ASP- 105   8.51 +/- 0.88   1.849% *  5.9647% (0.90   0.49   0.41) =   0.197%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.93 +/- 1.37   2.292% *  1.8236% (0.41   0.33   0.02) =   0.075%
          HB3   TRP   27 - HN    ASP- 105  17.18 +/- 2.57   0.493% *  0.1960% (0.73   0.02   0.02) =   0.002%
          QE    LYS+  38 - HN    ASP- 105  16.22 +/- 2.85   0.322% *  0.1746% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  16.39 +/- 3.32   0.285% *  0.0365% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.67, residual support = 58.7:
          HB3   PHE   97 - HN    ASP- 105   2.71 +/- 0.72  93.179% * 98.7299% (0.90   5.67  58.73) =  99.981%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.89 +/- 1.24   1.831% *  0.3881% (1.00   0.02   0.02) =   0.008%
          HB2   PRO   58 - HN    ASP- 105  17.65 +/- 5.48   2.883% *  0.1740% (0.45   0.02   0.02) =   0.005%
          HB2   GLN  116 - HN    ASP- 105  16.24 +/- 3.42   0.774% *  0.3804% (0.98   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    ASP- 105  18.18 +/- 4.00   0.818% *  0.2197% (0.57   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    ASP- 105  18.12 +/- 2.36   0.516% *  0.1079% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.71, residual support = 42.0:
      O   HB2   ASP- 105 - HN    ASP- 105   3.69 +/- 0.17  83.124% * 99.3924% (0.80  10.0   4.71  42.01) =  99.988%  kept
          HG12  ILE  119 - HN    ASP- 105  14.13 +/- 5.45   3.570% *  0.0853% (0.69   1.0   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    ASP- 105  11.99 +/- 1.12   2.688% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    ASP- 105  18.53 +/- 3.19   1.391% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  12.53 +/- 2.12   2.554% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  18.96 +/- 1.47   0.686% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  21.18 +/- 2.61   0.549% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  16.29 +/- 2.47   1.552% *  0.0423% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  12.50 +/- 1.10   2.354% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP- 105  22.09 +/- 3.58   0.612% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  19.35 +/- 3.64   0.921% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.782, support = 4.61, residual support = 39.9:
      O   HB3   ASP- 105 - HN    ASP- 105   2.92 +/- 0.25  64.327% * 70.4971% (0.76  10.0   4.64  42.01) =  89.814%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.81 +/- 0.58  20.307% * 21.4858% (0.98   1.0   4.75  24.44) =   8.642%  kept
          HB    ILE  103 - HN    ASP- 105   5.57 +/- 0.81  10.522% *  7.3855% (0.69   1.0   2.33   3.05) =   1.539%  kept
          HB3   PRO   58 - HN    ASP- 105  18.25 +/- 5.13   1.630% *  0.0205% (0.22   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  18.40 +/- 4.55   0.403% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ASP- 105  18.44 +/- 2.46   0.357% *  0.0852% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  17.79 +/- 2.41   0.377% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  20.02 +/- 3.25   0.329% *  0.0890% (0.97   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  18.15 +/- 4.23   0.457% *  0.0597% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  17.18 +/- 3.09   0.396% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASP- 105  17.13 +/- 2.17   0.380% *  0.0485% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.09 +/- 3.28   0.212% *  0.0670% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.97 +/- 1.47   0.303% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 5.44, residual support = 31.9:
          HG    LEU  104 - HN    ASP- 105   4.45 +/- 0.46  46.391% * 51.4234% (0.45   6.51  37.14) =  58.884%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.10 +/- 0.99  35.083% * 47.3876% (0.69   3.92  24.44) =  41.036%  kept
          HB3   LYS+ 121 - HN    ASP- 105  12.76 +/- 8.65  14.289% *  0.1579% (0.45   0.02   0.02) =   0.056%
          HB3   LYS+ 111 - HN    ASP- 105  16.29 +/- 3.48   2.006% *  0.1994% (0.57   0.02   0.02) =   0.010%
          HG2   LYS+  33 - HN    ASP- 105  19.33 +/- 2.52   0.694% *  0.3491% (0.99   0.02   0.02) =   0.006%
          QG    LYS+  81 - HN    ASP- 105  20.06 +/- 2.87   0.731% *  0.2691% (0.76   0.02   0.02) =   0.005%
          HD3   LYS+  74 - HN    ASP- 105  18.47 +/- 2.24   0.805% *  0.2136% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.55 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 = 0.268, support = 4.95, residual support = 24.0:
          HB2   LEU  104 - HN    ASP- 105   2.55 +/- 0.52  46.931% * 60.7678% (0.22   6.45  37.14) =  61.472%  kept
          QG2   ILE  103 - HN    ASP- 105   2.76 +/- 0.85  48.282% * 36.9785% (0.34   2.56   3.05) =  38.483%  kept
          QD2   LEU   40 - HN    ASP- 105   7.92 +/- 3.72   3.036% *  0.4120% (0.49   0.02   0.02) =   0.027%
          HB    VAL   75 - HN    ASP- 105  13.94 +/- 2.29   0.340% *  0.8390% (0.99   0.02   0.02) =   0.006%
          QD1   ILE  119 - HN    ASP- 105  12.93 +/- 3.98   0.645% *  0.4120% (0.49   0.02   0.02) =   0.006%
          QD1   LEU   67 - HN    ASP- 105  12.82 +/- 3.16   0.644% *  0.3795% (0.45   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HN    ASP- 105  18.18 +/- 2.30   0.122% *  0.2111% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 3.81, residual support = 24.4:
          HB2   ASP- 105 - HN    LYS+ 106   2.91 +/- 0.43  83.717% * 91.0493% (0.98   3.81  24.44) =  99.746%  kept
          HG12  ILE  119 - HN    LYS+ 106  12.70 +/- 5.01   2.300% *  7.1195% (0.41   0.71   0.02) =   0.214%  kept
          HB2   MET   96 - HN    LYS+ 106   7.71 +/- 1.02   8.844% *  0.1503% (0.31   0.02   2.13) =   0.017%
          HB3   ASP-  76 - HN    LYS+ 106  18.37 +/- 3.47   2.461% *  0.4068% (0.84   0.02   0.02) =   0.013%
          HG3   MET   92 - HN    LYS+ 106  16.41 +/- 1.78   0.678% *  0.4368% (0.90   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LYS+ 106  15.95 +/- 1.23   0.659% *  0.3722% (0.76   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HN    LYS+ 106  23.30 +/- 2.70   0.244% *  0.3900% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  14.62 +/- 2.14   1.097% *  0.0751% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.966, support = 5.26, residual support = 127.6:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.04 +/- 0.29  61.574% * 86.3504% (0.98  10.0   5.36 135.04) =  93.274%  kept
          HB3   ASP- 105 - HN    LYS+ 106   4.02 +/- 0.31  29.484% * 12.9860% (0.76   1.0   3.86  24.44) =   6.717%  kept
          HB    ILE  103 - HN    LYS+ 106   7.57 +/- 0.69   4.450% *  0.0605% (0.69   1.0   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    LYS+ 106  19.08 +/- 3.63   0.544% *  0.0850% (0.97   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+ 106  16.72 +/- 4.39   0.552% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LYS+ 106  16.49 +/- 2.25   0.497% *  0.0813% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LYS+ 106  19.49 +/- 4.41   0.383% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.20 +/- 2.61   0.276% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.61 +/- 4.60   0.956% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.58 +/- 1.59   0.529% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  20.53 +/- 2.86   0.231% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.22 +/- 2.41   0.313% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.62 +/- 2.64   0.212% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 2.65, residual support = 3.25:
          QG2   THR  118 - HN    LYS+ 106   8.54 +/- 5.64 100.000% *100.0000% (0.53   2.65   3.25) = 100.000%  kept
    Distance limit 4.71 A violated in 11 structures by 4.09 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 46.6:
          HB2   PHE   95 - HN    VAL  107   2.61 +/- 0.61 100.000% *100.0000% (1.00   2.31  46.61) = 100.000%  kept
    Distance limit 4.44 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   2.43 +/- 0.22  92.057% * 99.7350% (0.99  10.0   3.33  60.13) =  99.995%  kept
          HB3   PHE   45 - HN    VAL  107   9.21 +/- 1.80   3.037% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    VAL  107  11.89 +/- 2.54   2.018% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    VAL  107  15.80 +/- 3.52   2.606% *  0.0378% (0.38   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    VAL  107  21.07 +/- 1.90   0.160% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.40 +/- 2.26   0.122% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.521, support = 5.03, residual support = 25.8:
          QB    LYS+ 106 - HN    VAL  107   3.14 +/- 0.27  78.122% * 84.6380% (0.53   5.09  26.23) =  98.260%  kept
          HB3   ASP- 105 - HN    VAL  107   6.53 +/- 0.52   9.954% * 11.3487% (0.25   1.44   0.02) =   1.679%  kept
          HB    ILE   56 - HN    VAL  107  13.97 +/- 4.59   1.558% *  0.5832% (0.92   0.02   0.02) =   0.014%
          HB2   MET   92 - HN    VAL  107  12.22 +/- 1.19   1.504% *  0.5666% (0.90   0.02   0.02) =   0.013%
          HB3   PRO   58 - HN    VAL  107  15.54 +/- 4.19   1.769% *  0.4588% (0.73   0.02   0.02) =   0.012%
          HB    ILE  103 - HN    VAL  107  10.04 +/- 1.33   2.835% *  0.1250% (0.20   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    VAL  107  13.95 +/- 1.77   1.125% *  0.2597% (0.41   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    VAL  107  18.41 +/- 1.77   0.430% *  0.6193% (0.98   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    VAL  107  17.11 +/- 2.34   0.836% *  0.3075% (0.49   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    VAL  107  21.15 +/- 1.70   0.279% *  0.6262% (0.99   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    VAL  107  17.96 +/- 3.99   0.797% *  0.1106% (0.18   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    VAL  107  20.06 +/- 1.91   0.353% *  0.2155% (0.34   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    VAL  107  18.83 +/- 2.73   0.436% *  0.1407% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.98 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 = 0.199, support = 4.12, residual support = 60.0:
          QG1   VAL  107 - HN    VAL  107   3.35 +/- 0.44  84.969% * 91.2187% (0.20   4.13  60.13) =  99.717%  kept
          HG13  ILE  119 - HN    VAL  107  11.40 +/- 4.20   4.278% *  2.2101% (0.99   0.02   0.02) =   0.122%  kept
          HD3   LYS+ 112 - HN    VAL  107  13.02 +/- 2.44   4.062% *  1.3525% (0.61   0.02   0.02) =   0.071%
          QG1   VAL   24 - HN    VAL  107  16.73 +/- 3.29   1.776% *  1.0854% (0.49   0.02   0.02) =   0.025%
          QB    ALA   20 - HN    VAL  107  16.44 +/- 2.53   1.353% *  1.3525% (0.61   0.02   0.02) =   0.024%
          HB3   LEU   31 - HN    VAL  107  17.74 +/- 2.99   0.785% *  2.2249% (1.00   0.02   0.02) =   0.022%
          HG2   LYS+ 121 - HN    VAL  107  14.37 +/- 6.14   2.778% *  0.5560% (0.25   0.02   0.02) =   0.020%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.71, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   2.84 +/- 0.47  90.190% * 99.4150% (0.95  10.0   4.71  65.03) =  99.992%  kept
          HB2   PRO   93 - HN    VAL  108   9.67 +/- 1.50   4.090% *  0.0994% (0.95   1.0   0.02   0.02) =   0.005%
          HB    ILE  119 - HN    VAL  108  12.93 +/- 3.55   1.797% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    VAL  108  19.25 +/- 2.66   0.429% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  16.46 +/- 4.83   1.155% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.52 +/- 2.55   0.259% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.10 +/- 1.72   0.271% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  15.77 +/- 3.87   1.023% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.45 +/- 2.80   0.225% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.68 +/- 4.78   0.386% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.68 +/- 4.40   0.118% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.15 +/- 5.33   0.057% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.277, support = 3.63, residual support = 19.7:
          QG2   VAL  107 - HN    VAL  108   3.48 +/- 0.41  84.875% * 92.9851% (0.28   3.64  19.71) =  99.802%  kept
          HG13  ILE  119 - HN    VAL  108  12.61 +/- 3.20   3.022% *  1.7400% (0.95   0.02   0.02) =   0.066%
          HG2   LYS+ 121 - HN    VAL  108  15.95 +/- 5.32   5.340% *  0.8953% (0.49   0.02   0.02) =   0.060%
          HD3   LYS+ 112 - HN    VAL  108  12.25 +/- 2.11   3.997% *  0.6274% (0.34   0.02   0.02) =   0.032%
          QB    ALA   20 - HN    VAL  108  18.44 +/- 2.64   0.963% *  1.5955% (0.87   0.02   0.02) =   0.019%
          HB3   LEU   31 - HN    VAL  108  20.66 +/- 3.53   0.602% *  1.6980% (0.92   0.02   0.02) =   0.013%
          QG1   VAL   24 - HN    VAL  108  18.40 +/- 3.27   1.201% *  0.4587% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.65 A violated in 0 structures by 0.11 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.7:
          QG1   VAL  107 - HN    VAL  108   3.57 +/- 0.45  92.517% * 95.7584% (0.25   4.66  19.71) =  99.894%  kept
          HG3   LYS+ 112 - HN    VAL  108  12.05 +/- 1.97   4.374% *  1.0004% (0.61   0.02   0.02) =   0.049%
          HG    LEU   63 - HN    VAL  108  15.42 +/- 3.74   2.005% *  1.5918% (0.97   0.02   0.02) =   0.036%
          QG2   VAL   24 - HN    VAL  108  17.73 +/- 3.03   1.103% *  1.6494% (1.00   0.02   0.02) =   0.021%
    Distance limit 3.52 A violated in 0 structures by 0.22 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.4:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.03  96.823% * 99.6957% (0.69  10.0   4.64  26.41) =  99.997%  kept
          HA    ALA   61 - HN    ASP-  76  11.28 +/- 3.07   2.324% *  0.0997% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   58 - HN    ASP-  76  16.74 +/- 3.63   0.443% *  0.1340% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ASP-  76  15.50 +/- 2.58   0.411% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.66, residual support = 35.6:
      O   HB2   ASP-  76 - HN    ASP-  76   2.98 +/- 0.44  88.844% * 96.4306% (1.00  10.0   3.67  35.71) =  99.697%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.10 +/- 0.72   7.582% *  3.4171% (0.73   1.0   0.98   4.71) =   0.301%  kept
          HB2   ASN   69 - HN    ASP-  76  18.44 +/- 2.14   0.463% *  0.0945% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  66 - HN    ASP-  76  14.19 +/- 2.68   1.171% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  15.01 +/- 3.29   1.232% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.69 +/- 2.75   0.708% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.28, support = 3.68, residual support = 35.3:
      O   HB3   ASP-  76 - HN    ASP-  76   2.87 +/- 0.60  73.274% * 93.9250% (0.28  10.0   3.71  35.71) =  98.955%  kept
          HB2   ASP-  44 - HN    ASP-  76   7.27 +/- 1.58  16.736% *  4.2138% (0.45   1.0   0.56   0.02) =   1.014%  kept
          QG    GLN   90 - HN    ASP-  76  11.80 +/- 2.16   2.305% *  0.2185% (0.65   1.0   0.02   0.02) =   0.007%
          HG3   MET   92 - HN    ASP-  76  13.91 +/- 2.37   1.222% *  0.2930% (0.87   1.0   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    ASP-  76  11.33 +/- 0.66   1.614% *  0.1913% (0.57   1.0   0.02   0.02) =   0.004%
          HB2   ASP- 105 - HN    ASP-  76  16.80 +/- 3.65   1.661% *  0.1644% (0.49   1.0   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HN    ASP-  76  16.42 +/- 3.26   0.750% *  0.3196% (0.95   1.0   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    ASP-  76  16.35 +/- 2.83   0.612% *  0.3196% (0.95   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    ASP-  76  18.67 +/- 4.51   1.053% *  0.1644% (0.49   1.0   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    ASP-  76  17.69 +/- 3.45   0.526% *  0.1152% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.11 +/- 1.90   0.248% *  0.0752% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.4:
          QG1   VAL   75 - HN    ASP-  76   3.01 +/- 0.24  97.200% * 99.7155% (0.69   4.97  26.41) =  99.992%  kept
          QD1   LEU  115 - HN    ASP-  76  12.90 +/- 2.90   2.800% *  0.2845% (0.49   0.02   0.02) =   0.008%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.62, residual support = 26.4:
          QG2   VAL   75 - HN    ASP-  76   3.78 +/- 0.36  93.060% * 97.4077% (0.98   4.63  26.41) =  99.802%  kept
          QG2   VAL   42 - HN    ASP-  76  10.19 +/- 1.74   6.940% *  2.5923% (0.90   0.13   0.02) =   0.198%  kept
    Distance limit 4.42 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 = 9.3:
      O   HA2   GLY  109 - HN    GLY  109   2.65 +/- 0.26  95.292% * 99.3336% (0.43  10.0   2.20   9.30) =  99.993%  kept
          HA    THR  118 - HN    GLY  109  12.95 +/- 2.86   1.408% *  0.1522% (0.65   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    GLY  109  12.83 +/- 3.11   1.320% *  0.1341% (0.58   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    GLY  109  14.74 +/- 2.72   0.830% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    GLY  109  18.14 +/- 3.48   0.455% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  14.75 +/- 1.72   0.695% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.598, support = 0.189, residual support = 0.122:
          HG3   LYS+ 111 - HN    GLY  109   7.27 +/- 1.49  42.233% * 17.4616% (0.70   0.08   0.02) =  54.161%  kept
          HG2   LYS+  74 - HN    GLY  109  17.13 +/- 2.37   6.327% * 64.5049% (0.46   0.46   0.36) =  29.975%  kept
          HG12  ILE   89 - HN    GLY  109   9.78 +/- 3.43  29.367% *  4.4714% (0.73   0.02   0.02) =   9.644%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.77 +/- 1.60  12.918% *  5.0476% (0.15   0.11   0.02) =   4.789%  kept
          HG3   LYS+  99 - HN    GLY  109  21.01 +/- 2.25   2.502% *  2.6231% (0.43   0.02   0.02) =   0.482%  kept
          HG    LEU   71 - HN    GLY  109  22.39 +/- 3.13   2.038% *  2.9973% (0.49   0.02   0.02) =   0.449%  kept
          HG13  ILE   19 - HN    GLY  109  23.19 +/- 3.03   2.546% *  1.7389% (0.28   0.02   0.02) =   0.325%  kept
          HB3   LEU   71 - HN    GLY  109  22.15 +/- 2.77   2.069% *  1.1553% (0.19   0.02   0.02) =   0.176%  kept
    Distance limit 4.64 A violated in 10 structures by 1.82 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.45:
          QG1   VAL  108 - HN    GLY  109   2.61 +/- 0.32  96.593% * 98.9380% (0.65   3.09   7.45) =  99.988%  kept
          QD2   LEU   67 - HN    GLY  109  15.99 +/- 4.03   1.925% *  0.3034% (0.31   0.02   0.02) =   0.006%
          QD1   LEU   40 - HN    GLY  109  14.89 +/- 2.56   0.853% *  0.5069% (0.52   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    GLY  109  16.13 +/- 3.25   0.629% *  0.2517% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   2.81 +/- 0.43  94.831% * 99.3336% (0.57  10.0   2.20   6.40) =  99.992%  kept
          HA    THR  118 - HN    ALA  110  12.30 +/- 2.18   1.636% *  0.1522% (0.87   1.0   0.02   0.02) =   0.003%
          HA    ILE  119 - HN    ALA  110  13.91 +/- 2.21   1.126% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    ALA  110  14.65 +/- 2.88   1.116% *  0.1341% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA  110  18.02 +/- 3.48   0.555% *  0.1620% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  15.92 +/- 2.04   0.736% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.27, support = 0.672, residual support = 4.14:
          HG2   PRO   93 - HN    ALA  110   6.77 +/- 3.36  33.684% * 54.6666% (0.22   0.75   4.63) =  89.348%  kept
          HB3   PRO   52 - HN    ALA  110  12.80 +/- 6.07  11.712% *  6.4182% (0.98   0.02   0.02) =   3.647%  kept
          QB    LYS+  66 - HN    ALA  110  16.90 +/- 4.54  10.544% *  2.9356% (0.45   0.02   0.02) =   1.502%  kept
          QB    LYS+ 106 - HN    ALA  110   9.28 +/- 1.03  14.293% *  1.2958% (0.20   0.02   0.02) =   0.899%  kept
          HG    LEU  123 - HN    ALA  110  17.15 +/- 1.57   2.387% *  6.4182% (0.98   0.02   0.02) =   0.743%  kept
          HB3   GLN   90 - HN    ALA  110  13.15 +/- 3.43   8.083% *  1.8205% (0.28   0.02   0.02) =   0.714%  kept
          HG12  ILE  103 - HN    ALA  110  16.90 +/- 1.63   2.510% *  5.2431% (0.80   0.02   0.02) =   0.639%  kept
          HB3   ASP- 105 - HN    ALA  110  14.05 +/- 1.21   4.248% *  2.9356% (0.45   0.02   0.02) =   0.605%  kept
          HG3   PRO   68 - HN    ALA  110  21.61 +/- 5.87   2.717% *  3.7071% (0.57   0.02   0.02) =   0.489%  kept
          HB    ILE  103 - HN    ALA  110  17.29 +/- 1.70   2.665% *  3.4450% (0.53   0.02   0.02) =   0.445%  kept
          HB    VAL   41 - HN    ALA  110  20.03 +/- 2.34   1.761% *  4.2358% (0.65   0.02   0.02) =   0.362%  kept
          HG2   ARG+  54 - HN    ALA  110  17.01 +/- 4.46   2.327% *  3.1872% (0.49   0.02   0.02) =   0.360%  kept
          QB    LYS+  81 - HN    ALA  110  17.41 +/- 2.64   2.274% *  1.4578% (0.22   0.02   0.02) =   0.161%  kept
          QB    LYS+  33 - HN    ALA  110  24.96 +/- 2.17   0.793% *  2.2335% (0.34   0.02   0.02) =   0.086%
    Distance limit 4.40 A violated in 6 structures by 1.19 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.75 +/- 0.27  82.139% * 98.9553% (0.69  10.0   2.12   9.58) =  99.983%  kept
          HB3   LEU  115 - HN    ALA  110   7.41 +/- 2.53  11.313% *  0.0592% (0.41   1.0   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    ALA  110  17.28 +/- 4.49   1.653% *  0.1428% (0.99   1.0   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ALA  110  18.86 +/- 4.30   1.064% *  0.1046% (0.73   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ALA  110  13.56 +/- 1.43   0.812% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  19.58 +/- 4.21   0.503% *  0.1412% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ALA  110  19.00 +/- 2.85   0.432% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA  110  19.44 +/- 4.53   0.663% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  17.90 +/- 3.56   0.708% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.13 +/- 2.71   0.367% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.85 +/- 1.58   0.161% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.96 +/- 3.08   0.185% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 315.0:
      O   HB2   LYS+ 111 - HN    LYS+ 111   2.99 +/- 0.58  60.040% * 99.3619% (1.00  10.0   7.06 315.09) =  99.965%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.77 +/- 0.95  36.414% *  0.0524% (0.53   1.0   0.02   1.81) =   0.032%
          HB3   PRO   68 - HN    LYS+ 111  23.44 +/- 5.28   0.463% *  0.0893% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LYS+ 111  11.55 +/- 1.08   1.471% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 111  27.96 +/- 3.98   0.238% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  25.76 +/- 4.18   0.180% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.42 +/- 5.21   0.378% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  26.73 +/- 3.50   0.128% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  23.76 +/- 3.50   0.259% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.39 +/- 3.10   0.165% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.72 +/- 2.64   0.156% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.79 +/- 2.28   0.109% *  0.0307% (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 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.0:
      O   HB3   LYS+ 111 - HN    LYS+ 111   3.02 +/- 0.60  86.073% * 99.4649% (0.92  10.0   5.50 315.09) =  99.987%  kept
          QD    LYS+  66 - HN    LYS+ 111  18.29 +/- 5.13   8.428% *  0.0863% (0.80   1.0   0.02   0.02) =   0.008%
          HD3   LYS+  74 - HN    LYS+ 111  19.46 +/- 4.37   1.976% *  0.0966% (0.90   1.0   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    LYS+ 111  15.12 +/- 1.70   0.848% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    LYS+ 111  19.64 +/- 2.16   0.417% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  16.00 +/- 2.09   0.762% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  22.24 +/- 3.50   0.772% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.71 +/- 2.93   0.564% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.15 +/- 2.91   0.160% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.15 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.915, support = 6.52, residual support = 311.8:
          HG3   LYS+ 111 - HN    LYS+ 111   3.15 +/- 0.45  88.261% * 86.9369% (0.92   6.55 315.09) =  98.835%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.06 +/- 1.26   7.409% * 12.0826% (0.20   4.25  29.02) =   1.153%  kept
          HG12  ILE   89 - HN    LYS+ 111  13.67 +/- 2.50   1.916% *  0.2776% (0.97   0.02   0.02) =   0.007%
          HG2   LYS+  74 - HN    LYS+ 111  19.01 +/- 3.57   1.115% *  0.1744% (0.61   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    LYS+ 111  24.28 +/- 3.66   0.333% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  24.76 +/- 3.80   0.408% *  0.1079% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  23.46 +/- 2.49   0.253% *  0.1628% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    LYS+ 111  24.12 +/- 3.34   0.305% *  0.0717% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.702, support = 0.02, residual support = 0.02:
          QD1   ILE   56 - HN    LYS+ 111   9.38 +/- 3.54  48.245% * 26.3685% (0.76   0.02   0.02) =  58.179%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.84 +/- 1.89  10.022% * 33.2982% (0.97   0.02   0.02) =  15.262%  kept
          QD2   LEU   73 - HN    LYS+ 111  16.56 +/- 2.47  17.823% * 16.7946% (0.49   0.02   0.02) =  13.689%  kept
          QD2   LEU  123 - HN    LYS+ 111  14.26 +/- 0.82  18.565% * 11.7694% (0.34   0.02   0.02) =   9.993%  kept
          HG    LEU   31 - HN    LYS+ 111  23.80 +/- 2.78   5.346% * 11.7694% (0.34   0.02   0.02) =   2.878%  kept
    Distance limit 3.87 A violated in 16 structures by 4.60 A, eliminated.
    Peak unassigned.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.76, residual support = 238.0:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.77 +/- 0.05  95.837% * 99.8622% (0.87  10.0   5.76 238.04) =  99.998%  kept
          HB    THR   46 - HN    LYS+ 112  12.41 +/- 3.13   2.488% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    LYS+ 112  24.72 +/- 6.99   1.242% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  16.99 +/- 0.89   0.433% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 7.02, residual support = 29.0:
          HB2   LYS+ 111 - HN    LYS+ 112   3.55 +/- 0.41  69.091% * 97.3533% (0.87   7.04  29.02) =  99.810%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.66 +/- 0.44  19.217% *  0.5905% (0.28   0.13   3.63) =   0.168%  kept
          HB    ILE  119 - HN    LYS+ 112  10.63 +/- 0.85   3.030% *  0.1552% (0.49   0.02   0.02) =   0.007%
          HB    VAL  108 - HN    LYS+ 112  11.46 +/- 1.78   3.866% *  0.0887% (0.28   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    LYS+ 112  22.83 +/- 4.72   0.575% *  0.3189% (1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    LYS+ 112  13.50 +/- 2.99   1.916% *  0.0710% (0.22   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LYS+ 112  25.28 +/- 4.72   0.290% *  0.2554% (0.80   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  25.40 +/- 4.00   0.243% *  0.2554% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  26.61 +/- 3.91   0.230% *  0.2554% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.90 +/- 3.71   0.250% *  0.1552% (0.49   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  28.44 +/- 4.79   0.176% *  0.1934% (0.61   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 112  21.83 +/- 4.73   0.590% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  27.83 +/- 3.00   0.165% *  0.1806% (0.57   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.62 +/- 4.53   0.360% *  0.0710% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 238.0:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.88 +/- 0.62  80.701% * 98.9690% (0.76  10.0   5.74 238.04) =  99.991%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.77 +/- 3.11  13.651% *  0.0200% (0.15   1.0   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LYS+ 112  15.71 +/- 2.42   0.993% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+ 112  17.20 +/- 3.06   0.602% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+ 112  18.60 +/- 2.67   0.522% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  20.13 +/- 4.33   0.524% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 112  19.89 +/- 4.94   0.987% *  0.0532% (0.41   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  18.49 +/- 2.55   0.513% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+ 112  17.43 +/- 1.67   0.486% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.43 +/- 3.05   0.201% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  20.55 +/- 4.75   0.574% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  27.92 +/- 3.59   0.128% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  29.75 +/- 4.78   0.119% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.87, support = 6.04, residual support = 238.0:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.51 +/- 0.47  66.235% * 84.2209% (0.90  10.0   5.99 238.04) =  93.440%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.34 +/- 1.15  25.115% * 15.5835% (0.49   1.0   6.82 238.04) =   6.556%  kept
          QG2   VAL  107 - HN    LYS+ 112   7.08 +/- 2.13   7.103% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          QG2   THR   94 - HN    LYS+ 112  10.73 +/- 1.73   1.183% *  0.0815% (0.87   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  19.48 +/- 2.41   0.203% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.85 +/- 3.99   0.161% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 237.7:
          HG2   LYS+ 112 - HN    LYS+ 112   4.03 +/- 0.56  80.885% * 98.1771% (0.34   6.23 238.04) =  99.848%  kept
          QG1   VAL   42 - HN    LYS+ 112  12.70 +/- 2.49   9.731% *  0.6342% (0.69   0.02   0.02) =   0.078%
          QB    ALA   47 - HN    LYS+ 112  11.68 +/- 2.54   5.987% *  0.7393% (0.80   0.02   0.02) =   0.056%
          QB    ALA   64 - HN    LYS+ 112  14.57 +/- 2.39   3.397% *  0.4494% (0.49   0.02   0.02) =   0.019%
    Distance limit 4.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 0.96, residual support = 5.53:
          QD1   ILE   56 - HN    LYS+ 112   7.66 +/- 3.00  53.548% * 94.5576% (0.76   0.97   5.59) =  98.881%  kept
          QD2   LEU   73 - HN    LYS+ 112  16.74 +/- 3.35  17.482% *  1.2414% (0.49   0.02   0.02) =   0.424%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  17.43 +/- 1.23   6.549% *  2.4612% (0.97   0.02   0.02) =   0.315%  kept
          QD2   LEU  123 - HN    LYS+ 112  13.12 +/- 1.07  17.660% *  0.8699% (0.34   0.02   0.02) =   0.300%  kept
          HG    LEU   31 - HN    LYS+ 112  24.25 +/- 2.99   4.761% *  0.8699% (0.34   0.02   0.02) =   0.081%
    Distance limit 4.02 A violated in 12 structures by 3.13 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 237.9:
          HG3   LYS+ 112 - HN    LYS+ 112   3.55 +/- 0.54  85.199% * 99.2157% (0.87   5.93 238.04) =  99.958%  kept
          HG    LEU   63 - HN    LYS+ 112  14.97 +/- 3.89   7.814% *  0.3784% (0.98   0.02   0.02) =   0.035%
          QG2   VAL  108 - HN    LYS+ 112  10.04 +/- 1.21   6.286% *  0.0596% (0.15   0.02   0.02) =   0.004%
          QG2   VAL   24 - HN    LYS+ 112  20.52 +/- 3.33   0.701% *  0.3463% (0.90   0.02   0.02) =   0.003%
    Distance limit 3.44 A violated in 0 structures by 0.27 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.21, residual support = 16.1:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.05  94.394% * 99.8622% (0.74  10.0   5.21  16.11) =  99.998%  kept
          HB    THR   46 - HN    ASP- 113  13.92 +/- 2.97   2.402% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    ASP- 113  16.13 +/- 1.08   1.063% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  26.10 +/- 7.18   2.141% *  0.0287% (0.21   1.0   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.46, residual support = 14.4:
      O   QB    ASP- 113 - HN    ASP- 113   2.16 +/- 0.15 100.000% *100.0000% (0.82  10.0   3.46  14.38) = 100.000%  kept
    Distance limit 3.16 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 = 0.264, support = 3.11, residual support = 24.7:
          QG    GLU- 114 - HN    ASP- 113   4.55 +/- 0.60  74.239% * 94.0440% (0.26   3.12  24.77) =  99.594%  kept
          HG2   PRO   52 - HN    ASP- 113  12.84 +/- 3.48  13.352% *  1.4933% (0.65   0.02   0.02) =   0.284%  kept
          HG2   MET   92 - HN    ASP- 113  13.46 +/- 3.59   7.209% *  0.4872% (0.21   0.02   0.02) =   0.050%
          HB2   PRO   58 - HN    ASP- 113  13.98 +/- 1.65   3.312% *  0.9511% (0.41   0.02   0.02) =   0.045%
          HG3   GLU-  25 - HN    ASP- 113  30.82 +/- 5.33   0.499% *  1.8038% (0.79   0.02   0.02) =   0.013%
          HB2   GLU-  79 - HN    ASP- 113  21.90 +/- 4.52   1.186% *  0.7334% (0.32   0.02   0.02) =   0.012%
          HG3   GLU-  36 - HN    ASP- 113  33.68 +/- 3.48   0.203% *  0.4872% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.13 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.752, support = 2.43, residual support = 8.94:
          HB2   LYS+ 111 - HN    ASP- 113   3.38 +/- 0.53  66.538% * 54.7289% (0.85   2.18   3.79) =  75.425%  kept
          QB    GLU- 114 - HN    ASP- 113   4.69 +/- 0.34  28.016% * 42.3115% (0.45   3.20  24.77) =  24.552%  kept
          HB    ILE  119 - HN    ASP- 113   9.57 +/- 0.64   3.359% *  0.1255% (0.21   0.02   0.02) =   0.009%
          HB3   PRO   68 - HN    ASP- 113  23.71 +/- 4.47   0.277% *  0.4513% (0.76   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    ASP- 113  29.57 +/- 4.95   0.273% *  0.4365% (0.74   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    ASP- 113  26.19 +/- 4.53   0.217% *  0.4932% (0.84   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    ASP- 113  27.34 +/- 3.56   0.162% *  0.4932% (0.84   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASP- 113  24.66 +/- 4.54   0.313% *  0.2256% (0.38   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    ASP- 113  22.63 +/- 4.59   0.319% *  0.1888% (0.32   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP- 113  26.43 +/- 3.96   0.203% *  0.2647% (0.45   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  25.90 +/- 3.62   0.199% *  0.1255% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  28.11 +/- 2.80   0.123% *  0.1553% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 5.97, residual support = 16.1:
          HB2   LYS+ 112 - HN    ASP- 113   3.57 +/- 0.35  80.718% * 96.6314% (0.65   5.98  16.11) =  99.964%  kept
          HB3   PRO   93 - HN    ASP- 113  10.13 +/- 3.20  11.671% *  0.0653% (0.13   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HN    ASP- 113  15.94 +/- 2.50   1.431% *  0.2737% (0.55   0.02   0.02) =   0.005%
          HB    VAL   42 - HN    ASP- 113  17.98 +/- 2.67   0.853% *  0.3906% (0.79   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    ASP- 113  21.31 +/- 4.23   0.660% *  0.3670% (0.74   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    ASP- 113  19.87 +/- 2.34   0.592% *  0.3906% (0.79   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  18.97 +/- 2.33   0.749% *  0.2907% (0.59   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    ASP- 113  21.22 +/- 4.85   1.115% *  0.1740% (0.35   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    ASP- 113  16.44 +/- 1.76   0.912% *  0.1588% (0.32   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    ASP- 113  25.63 +/- 3.03   0.279% *  0.3534% (0.71   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  28.72 +/- 3.52   0.192% *  0.4084% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  21.93 +/- 4.92   0.659% *  0.1055% (0.21   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ASP- 113  30.44 +/- 4.66   0.171% *  0.3906% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.15 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.693, support = 4.94, residual support = 16.0:
          HB3   LYS+ 112 - HN    ASP- 113   3.65 +/- 0.60  57.203% * 59.7327% (0.76   4.80  16.11) =  79.961%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.44 +/- 0.70  21.711% * 38.1942% (0.41   5.66  16.11) =  19.405%  kept
          QG2   VAL  107 - HN    ASP- 113   7.36 +/- 2.26  16.865% *  1.5504% (0.17   0.57   0.02) =   0.612%  kept
          QG2   THR   94 - HN    ASP- 113  11.53 +/- 1.95   3.345% *  0.2405% (0.74   0.02   0.02) =   0.019%
          HG13  ILE  103 - HN    ASP- 113  19.95 +/- 2.45   0.543% *  0.1682% (0.52   0.02   0.02) =   0.002%
          HB3   LEU   71 - HN    ASP- 113  24.76 +/- 3.62   0.333% *  0.1140% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.63, residual support = 24.8:
      O   HA    ASP- 113 - HN    GLU- 114   3.59 +/- 0.04  91.415% * 99.6702% (1.00  10.0   3.63  24.77) =  99.995%  kept
          HA    ILE   56 - HN    GLU- 114  11.53 +/- 2.00   3.451% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    GLU- 114  12.22 +/- 0.90   2.477% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU- 114  15.93 +/- 0.51   1.060% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  22.24 +/- 1.83   0.415% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  19.13 +/- 3.48   0.993% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.62 +/- 1.89   0.190% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 3.63, residual support = 24.8:
          QB    ASP- 113 - HN    GLU- 114   2.75 +/- 0.35  99.026% * 99.8732% (0.97   3.63  24.77) =  99.999%  kept
          HB2   ASP-  62 - HN    GLU- 114  14.27 +/- 1.84   0.974% *  0.1268% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 4.48, residual support = 42.7:
          QG    GLU- 114 - HN    GLU- 114   2.54 +/- 0.55  95.341% * 97.7683% (0.84   4.48  42.70) =  99.977%  kept
          HG2   PRO   52 - HN    GLU- 114  13.46 +/- 3.13   2.137% *  0.5119% (0.98   0.02   0.02) =   0.012%
          HG2   MET   92 - HN    GLU- 114  13.40 +/- 3.26   1.893% *  0.3991% (0.76   0.02   0.02) =   0.008%
          HB2   GLU-  79 - HN    GLU- 114  21.54 +/- 3.90   0.424% *  0.4684% (0.90   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    GLU- 114  30.32 +/- 5.08   0.147% *  0.4530% (0.87   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  32.94 +/- 3.04   0.058% *  0.3991% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.841, support = 4.1, residual support = 38.6:
      O   QB    GLU- 114 - HN    GLU- 114   2.35 +/- 0.25  61.483% * 84.2774% (0.84  10.0   4.19  42.70) =  90.010%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.50 +/- 1.31  37.837% * 15.1980% (0.90   1.0   3.36   1.81) =   9.989%  kept
          HB3   GLU-  25 - HN    GLU- 114  29.10 +/- 4.66   0.125% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  24.23 +/- 4.07   0.131% *  0.0771% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  25.81 +/- 4.42   0.090% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU- 114  22.09 +/- 4.57   0.102% *  0.0693% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  23.21 +/- 4.37   0.092% *  0.0612% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  26.85 +/- 3.36   0.058% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.94 +/- 3.51   0.080% *  0.0252% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.921, support = 0.918, residual support = 1.8:
          HB3   LYS+ 111 - HN    GLU- 114   3.78 +/- 0.83  79.870% * 89.5471% (0.92   0.92   1.81) =  99.568%  kept
          HD3   LYS+  74 - HN    GLU- 114  20.26 +/- 5.16   5.187% *  1.8876% (0.90   0.02   0.02) =   0.136%  kept
          QD    LYS+  66 - HN    GLU- 114  18.11 +/- 4.56   5.674% *  1.6854% (0.80   0.02   0.02) =   0.133%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.66 +/- 1.32   2.788% *  2.0631% (0.98   0.02   0.02) =   0.080%
          HG    LEU  104 - HN    GLU- 114  19.44 +/- 2.11   0.920% *  2.0631% (0.98   0.02   0.02) =   0.026%
          HD2   LYS+ 121 - HN    GLU- 114  13.75 +/- 1.62   2.191% *  0.8653% (0.41   0.02   0.02) =   0.026%
          QG2   THR   26 - HN    GLU- 114  22.90 +/- 4.14   2.013% *  0.5852% (0.28   0.02   0.02) =   0.016%
          HG2   LYS+  65 - HN    GLU- 114  19.93 +/- 2.09   0.958% *  0.7180% (0.34   0.02   0.02) =   0.010%
          HG2   LYS+  33 - HN    GLU- 114  28.47 +/- 3.17   0.399% *  0.5852% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.21 A violated in 1 structures by 0.19 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.924, support = 2.62, residual support = 3.63:
          HD3   LYS+ 112 - HN    GLU- 114   6.20 +/- 1.15  40.806% * 64.8587% (0.98   3.16   3.63) =  65.612%  kept
          QG1   VAL  107 - HN    GLU- 114   6.03 +/- 1.84  46.798% * 28.2675% (0.84   1.62   3.82) =  32.795%  kept
          HG13  ILE  119 - HN    GLU- 114   9.26 +/- 1.12  10.119% *  6.2673% (0.41   0.73   0.10) =   1.572%  kept
          QG1   VAL   24 - HN    GLU- 114  21.26 +/- 3.95   1.816% *  0.4188% (1.00   0.02   0.02) =   0.019%
          HB3   LEU   31 - HN    GLU- 114  25.14 +/- 2.46   0.462% *  0.1877% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.83 A violated in 0 structures by 0.17 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   3.11 +/- 0.58  97.482% * 99.4046% (0.57  10.0   3.86  14.93) =  99.997%  kept
          HA    GLN   30 - HN    GLY  101  15.87 +/- 3.24   1.244% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLY  101  20.12 +/- 4.57   0.646% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  26.29 +/- 3.70   0.221% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.44 +/- 3.83   0.244% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.65 +/- 4.36   0.163% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.73 +/- 0.23  98.299% * 99.9154% (0.53  10.0   2.86  15.43) =  99.999%  kept
          HB2   TRP   27 - HN    GLY  101  17.84 +/- 4.29   1.546% *  0.0423% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    GLY  101  24.49 +/- 1.37   0.154% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.37, residual support = 75.5:
      O   HA    GLU- 100 - HN    GLU- 100   2.33 +/- 0.16  98.236% * 99.4046% (0.57  10.0   6.38  75.51) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  13.95 +/- 2.98   0.649% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLU- 100  24.81 +/- 4.23   0.407% *  0.1694% (0.97   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    GLU- 100  23.77 +/- 3.91   0.219% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  28.47 +/- 4.99   0.273% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  20.51 +/- 4.26   0.217% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 4.25, residual support = 75.4:
          HG3   GLU- 100 - HN    GLU- 100   3.52 +/- 0.46  83.925% * 97.4107% (0.69   4.25  75.51) =  99.912%  kept
          HB    VAL   24 - HN    GLU- 100  19.01 +/- 5.16   4.869% *  0.6308% (0.95   0.02   0.02) =   0.038%
          QB    GLN   32 - HN    GLU- 100  12.63 +/- 3.17   3.876% *  0.6536% (0.98   0.02   0.02) =   0.031%
          HB2   PRO   68 - HN    GLU- 100  17.98 +/- 4.01   1.030% *  0.6536% (0.98   0.02   0.02) =   0.008%
          HB2   GLU-  14 - HN    GLU- 100  19.40 +/- 5.36   2.511% *  0.1485% (0.22   0.02   0.02) =   0.005%
          HG2   MET   11 - HN    GLU- 100  26.11 +/- 6.77   2.754% *  0.1320% (0.20   0.02   0.02) =   0.004%
          HG2   PRO   58 - HN    GLU- 100  23.25 +/- 4.44   0.649% *  0.1854% (0.28   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  27.93 +/- 4.87   0.386% *  0.1854% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.21 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 = 5.58, residual support = 39.0:
          HB2   LYS+  99 - HN    GLU- 100   4.30 +/- 0.18  93.822% * 99.1213% (0.73   5.58  39.00) =  99.977%  kept
          HB    VAL   43 - HN    GLU- 100  12.35 +/- 1.26   4.525% *  0.4083% (0.84   0.02   0.02) =   0.020%
          QD    LYS+  81 - HN    GLU- 100  24.67 +/- 2.57   0.566% *  0.3736% (0.76   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    GLU- 100  19.94 +/- 2.88   1.087% *  0.0967% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.31, residual support = 38.7:
          HG2   LYS+  99 - HN    GLU- 100   2.76 +/- 0.61  83.856% * 93.4659% (0.90   6.35  39.00) =  99.348%  kept
          HG2   LYS+  38 - HN    GLU- 100  10.08 +/- 5.39   9.449% *  5.3168% (0.97   0.34   0.02) =   0.637%  kept
          HB2   LEU   31 - HN    GLU- 100  11.83 +/- 4.07   4.582% *  0.1859% (0.57   0.02   0.02) =   0.011%
          QB    ALA   88 - HN    GLU- 100  18.61 +/- 3.44   0.352% *  0.3106% (0.95   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    GLU- 100  18.26 +/- 1.51   0.383% *  0.1991% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLU- 100  18.53 +/- 2.27   0.445% *  0.1013% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  16.28 +/- 1.23   0.531% *  0.0731% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  25.75 +/- 3.44   0.172% *  0.2124% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  21.32 +/- 3.61   0.229% *  0.1350% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.79, residual support = 173.7:
      O   HB2   LYS+  99 - HN    LYS+  99   3.10 +/- 0.31  87.894% * 99.7262% (0.99  10.0   4.80 173.76) =  99.995%  kept
          HB    VAL   43 - HN    LYS+  99  10.52 +/- 1.39   2.860% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LYS+  99  19.03 +/- 4.89   1.947% *  0.0570% (0.57   1.0   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    LYS+  99  22.88 +/- 3.03   0.282% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  13.26 +/- 2.94   3.643% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  12.93 +/- 3.24   1.843% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.29 +/- 2.87   1.015% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  21.11 +/- 5.61   0.515% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.88, residual support = 17.7:
          QB    LEU   98 - HN    LYS+  99   3.29 +/- 0.37  62.223% * 93.6125% (0.57   3.88  17.74) =  99.888%  kept
          HD3   LYS+ 121 - HN    LYS+  99  16.36 +/- 9.94   2.837% *  0.7394% (0.87   0.02   0.02) =   0.036%
          QB    ALA   61 - HN    LYS+  99  15.10 +/- 3.40   1.736% *  0.5170% (0.61   0.02   0.02) =   0.015%
          HG12  ILE   19 - HN    LYS+  99  17.43 +/- 3.12   0.724% *  0.7645% (0.90   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+  99  19.80 +/- 3.55   0.482% *  0.8227% (0.97   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    LYS+  99  20.29 +/- 3.99   0.543% *  0.6826% (0.80   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    LYS+  99  17.85 +/- 1.68   0.513% *  0.7120% (0.84   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LYS+  99  17.38 +/- 2.10   0.511% *  0.7120% (0.84   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    LYS+  99  16.32 +/- 3.29   0.708% *  0.3822% (0.45   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    LYS+  99  12.82 +/- 2.11   1.645% *  0.1315% (0.15   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    GLN   30   9.03 +/- 1.14   4.020% *  0.0502% (0.06   0.02  14.76) =   0.003%
          QB    ALA   12 - HN    LYS+  99  21.90 +/- 5.16   0.606% *  0.2631% (0.31   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LYS+  99  18.41 +/- 2.29   0.460% *  0.2370% (0.28   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    GLN   30  16.83 +/- 7.79   2.044% *  0.0448% (0.05   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN   30   7.74 +/- 2.85  10.228% *  0.0086% (0.01   0.02   5.70) =   0.002%
          HB2   LEU   80 - HN    GLN   30  17.16 +/- 7.02   1.533% *  0.0540% (0.06   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  12.16 +/- 1.96   1.659% *  0.0468% (0.05   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.50 +/- 3.03   2.009% *  0.0317% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  14.56 +/- 3.53   2.060% *  0.0173% (0.02   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  14.48 +/- 1.90   0.970% *  0.0340% (0.04   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN   30  15.79 +/- 2.75   0.990% *  0.0251% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  23.25 +/- 6.55   0.418% *  0.0486% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.49 +/- 2.86   0.417% *  0.0468% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  17.30 +/- 2.78   0.667% *  0.0156% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.758, support = 3.59, residual support = 18.4:
          QD2   LEU  104 - HN    LYS+  99   2.60 +/- 0.87  54.481% * 50.2538% (0.80   3.44  18.80) =  63.184%  kept
          QD1   LEU   98 - HN    LYS+  99   3.80 +/- 1.09  32.898% * 48.3063% (0.69   3.86  17.74) =  36.674%  kept
          QD1   ILE   19 - HN    GLN   30   6.85 +/- 1.16   6.108% *  0.9622% (0.04   1.24  14.76) =   0.136%  kept
          QD1   ILE   19 - HN    LYS+  99  14.56 +/- 2.42   0.654% *  0.2358% (0.65   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    LYS+  99  16.08 +/- 2.22   0.522% *  0.1125% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+  99  15.05 +/- 3.08   0.498% *  0.0811% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  12.28 +/- 3.36   1.359% *  0.0164% (0.05   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    GLN   30  10.36 +/- 2.38   2.393% *  0.0053% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  14.46 +/- 2.50   0.599% *  0.0192% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  15.27 +/- 1.97   0.489% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.849, support = 4.24, residual support = 18.5:
          QD1   LEU  104 - HN    LYS+  99   3.72 +/- 0.68  44.927% * 92.4680% (0.87   4.29  18.80) =  97.722%  kept
          QD1   LEU   73 - HN    GLN   30   5.87 +/- 2.68  24.164% *  3.4602% (0.06   2.44   5.70) =   1.967%  kept
          QD1   LEU   63 - HN    GLN   30  13.93 +/- 4.16   5.269% *  1.7613% (0.06   1.24   0.02) =   0.218%  kept
          QD1   LEU   73 - HN    LYS+  99  11.00 +/- 2.37   3.434% *  0.4314% (0.87   0.02   0.02) =   0.035%
          QG1   VAL   83 - HN    LYS+  99  14.75 +/- 3.66   3.066% *  0.2045% (0.41   0.02   0.02) =   0.015%
          QD2   LEU   80 - HN    LYS+  99  16.94 +/- 3.48   1.071% *  0.4929% (0.99   0.02   0.02) =   0.012%
          QD1   LEU   63 - HN    LYS+  99  14.55 +/- 2.36   1.001% *  0.4314% (0.87   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    LYS+  99  16.47 +/- 2.61   0.733% *  0.4962% (1.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    LYS+  99  13.79 +/- 2.99   1.330% *  0.1383% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    GLN   30  13.40 +/- 7.04   5.512% *  0.0324% (0.07   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    GLN   30  14.59 +/- 2.93   2.823% *  0.0283% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    GLN   30  13.68 +/- 5.92   3.291% *  0.0134% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  13.70 +/- 3.27   2.925% *  0.0091% (0.02   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  19.26 +/- 2.19   0.456% *  0.0326% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.03 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   4.01 +/- 0.45  81.211% * 97.4950% (0.65   3.95  10.64) =  99.890%  kept
          HB2   GLU- 100 - HN    LEU   98   9.46 +/- 0.67   6.741% *  0.6846% (0.90   0.02   0.02) =   0.058%
          QG    GLU-  79 - HN    LEU   98  16.34 +/- 2.66   2.327% *  0.6376% (0.84   0.02   0.02) =   0.019%
          HB2   PRO   58 - HN    LEU   98  17.15 +/- 4.49   6.558% *  0.1699% (0.22   0.02   0.02) =   0.014%
          QG    GLN   32 - HN    LEU   98  14.78 +/- 2.30   2.020% *  0.4016% (0.53   0.02   0.02) =   0.010%
          HB2   GLN  116 - HN    LEU   98  18.26 +/- 2.57   1.143% *  0.6112% (0.80   0.02   0.02) =   0.009%
    Distance limit 4.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.714, support = 3.42, residual support = 26.8:
          HG12  ILE  103 - HN    LEU   98   4.81 +/- 0.44  34.498% * 39.3218% (0.80   3.38  31.57) =  54.399%  kept
          HB    VAL   41 - HN    LEU   98   6.34 +/- 2.71  24.064% * 37.7564% (0.65   4.01  22.23) =  36.436%  kept
          HB    ILE  103 - HN    LEU   98   6.97 +/- 0.21  10.786% *  9.8370% (0.53   1.29  31.57) =   4.255%  kept
          HB3   ASP- 105 - HN    LEU   98   7.34 +/- 0.68  10.058% * 10.2465% (0.45   1.57   5.62) =   4.133%  kept
          QB    LYS+ 106 - HN    LEU   98   7.33 +/- 0.86  11.878% *  1.5214% (0.20   0.53   0.02) =   0.725%  kept
          HG    LEU  123 - HN    LEU   98  18.79 +/- 5.21   1.144% *  0.2852% (0.98   0.02   0.02) =   0.013%
          HG3   PRO   68 - HN    LEU   98  15.60 +/- 3.35   1.579% *  0.1647% (0.57   0.02   0.02) =   0.010%
          HB3   PRO   52 - HN    LEU   98  21.71 +/- 3.71   0.641% *  0.2852% (0.98   0.02   0.02) =   0.007%
          QB    LYS+  66 - HN    LEU   98  14.78 +/- 2.06   1.400% *  0.1304% (0.45   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LEU   98  13.96 +/- 1.97   1.483% *  0.0992% (0.34   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HN    LEU   98  22.77 +/- 2.99   0.454% *  0.1416% (0.49   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    LEU   98  18.86 +/- 1.97   0.618% *  0.0809% (0.28   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  17.02 +/- 0.84   0.748% *  0.0648% (0.22   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU   98  19.02 +/- 2.38   0.648% *  0.0648% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.08 A violated in 0 structures by 0.22 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.831, support = 4.78, residual support = 75.1:
      O   QB    LEU   98 - HN    LEU   98   2.78 +/- 0.36  63.789% * 97.3189% (0.84  10.0   4.79  75.52) =  99.431%  kept
          HB    VAL   42 - HN    LEU   98   5.87 +/- 2.29  17.297% *  1.9545% (0.18   1.0   1.92   0.43) =   0.541%  kept
          HD3   LYS+ 121 - HN    LEU   98  14.18 +/- 8.98  11.349% *  0.1163% (1.00   1.0   0.02   0.02) =   0.021%
          QB    ALA   61 - HN    LEU   98  11.80 +/- 3.29   2.373% *  0.0397% (0.34   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LEU   98  13.78 +/- 2.08   0.794% *  0.1155% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  16.89 +/- 3.10   0.382% *  0.1142% (0.98   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   98  15.04 +/- 2.94   0.563% *  0.0754% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  13.02 +/- 3.17   1.302% *  0.0259% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  15.05 +/- 1.59   0.453% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  17.39 +/- 3.53   0.376% *  0.0613% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  21.09 +/- 4.32   0.316% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  14.34 +/- 2.63   0.677% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.66 +/- 1.97   0.330% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.935, support = 4.09, residual support = 13.5:
          QD2   LEU   40 - HN    LEU   98   5.00 +/- 3.52  45.196% * 67.6629% (0.97   4.58   9.16) =  80.580%  kept
          QG2   ILE  103 - HN    LEU   98   4.90 +/- 0.43  23.633% * 28.6509% (0.87   2.16  31.57) =  17.841%  kept
          QD1   ILE  103 - HN    LEU   98   5.63 +/- 0.84  20.171% *  2.8546% (0.20   0.94  31.57) =   1.517%  kept
          QD1   LEU   67 - HN    LEU   98  10.11 +/- 2.50   4.205% *  0.2898% (0.95   0.02   0.02) =   0.032%
          HB    VAL   75 - HN    LEU   98  11.26 +/- 1.76   2.665% *  0.2225% (0.73   0.02   0.02) =   0.016%
          QD2   LEU   71 - HN    LEU   98  10.17 +/- 2.36   3.119% *  0.0852% (0.28   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HN    LEU   98  14.74 +/- 1.94   1.012% *  0.2341% (0.76   0.02   0.02) =   0.006%
    Distance limit 4.25 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 = 0.635, support = 3.17, residual support = 41.6:
          QD1   LEU   98 - HN    LEU   98   3.87 +/- 0.95  29.096% * 45.2312% (0.38   4.73  75.52) =  47.080%  kept
          QD2   LEU  104 - HN    LEU   98   4.08 +/- 1.13  29.827% * 42.0618% (0.99   1.67   9.79) =  44.882%  kept
          QG1   VAL   41 - HN    LEU   98   5.70 +/- 2.28  19.402% * 10.4885% (0.15   2.67  22.23) =   7.280%  kept
          QG1   VAL   43 - HN    LEU   98   5.65 +/- 1.47  16.362% *  1.1907% (0.28   0.17   0.02) =   0.697%  kept
          QG2   THR   46 - HN    LEU   98  12.65 +/- 2.06   2.341% *  0.3092% (0.61   0.02   0.02) =   0.026%
          QD1   ILE   19 - HN    LEU   98  12.83 +/- 2.15   1.223% *  0.4705% (0.92   0.02   0.02) =   0.021%
          QG2   VAL   18 - HN    LEU   98  12.31 +/- 3.24   1.750% *  0.2481% (0.49   0.02   0.02) =   0.016%
    Distance limit 4.18 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 = 0.242, support = 3.96, residual support = 38.0:
          QD2   LEU   98 - HN    LEU   98   3.61 +/- 0.66  37.279% * 25.4748% (0.15   4.63  75.52) =  36.293%  kept
          QG2   VAL   41 - HN    LEU   98   5.36 +/- 2.19  20.501% * 44.8599% (0.28   4.52  22.23) =  35.146%  kept
          QD1   LEU  104 - HN    LEU   98   4.44 +/- 1.21  27.480% * 26.8985% (0.31   2.44   9.79) =  28.248%  kept
          QD1   LEU   73 - HN    LEU   98   8.66 +/- 2.17   5.925% *  0.6403% (0.90   0.02   0.02) =   0.145%  kept
          QD2   LEU   63 - HN    LEU   98  10.64 +/- 2.96   3.517% *  0.5963% (0.84   0.02   0.02) =   0.080%
          QD1   LEU   63 - HN    LEU   98  11.36 +/- 2.37   2.001% *  0.6403% (0.90   0.02   0.02) =   0.049%
          QD2   LEU   80 - HN    LEU   98  14.59 +/- 3.02   1.217% *  0.3756% (0.53   0.02   0.02) =   0.017%
          QD2   LEU  115 - HN    LEU   98  13.39 +/- 2.41   1.053% *  0.4042% (0.57   0.02   0.02) =   0.016%
          QD1   LEU   80 - HN    LEU   98  14.86 +/- 3.53   1.026% *  0.1102% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.941, support = 4.77, residual support = 61.6:
      O   HB2   PHE   97 - HN    PHE   97   2.87 +/- 0.55  72.216% * 95.8136% (0.95  10.0   4.81  62.23) =  98.832%  kept
          QE    LYS+ 106 - HN    PHE   97   5.44 +/- 1.09  20.679% *  3.9404% (0.53   1.0   1.48  11.78) =   1.164%  kept
          QE    LYS+  99 - HN    PHE   97   9.51 +/- 0.67   2.310% *  0.0614% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   TRP   27 - HN    PHE   97  15.06 +/- 2.42   0.888% *  0.0977% (0.97   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97  10.02 +/- 1.31   2.549% *  0.0177% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  14.70 +/- 2.88   0.829% *  0.0345% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.36 +/- 2.10   0.531% *  0.0345% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.59, residual support = 44.2:
          HG2   MET   96 - HN    PHE   97   3.12 +/- 0.75  99.306% * 99.8228% (0.98   5.59  44.17) =  99.999%  kept
          HB2   PRO   52 - HN    PHE   97  19.53 +/- 3.61   0.694% *  0.1772% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.13, residual support = 61.8:
      O   HB3   PHE   97 - HN    PHE   97   3.02 +/- 0.63  86.306% * 91.9679% (0.34  10.0   5.16  62.23) =  99.164%  kept
          HB    VAL  107 - HN    PHE   97   6.90 +/- 0.69   9.115% *  7.2431% (0.28   1.0   1.93   5.43) =   0.825%  kept
          QG    GLU-  79 - HN    PHE   97  15.80 +/- 3.14   1.416% *  0.2690% (1.00   1.0   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    PHE   97  12.82 +/- 0.94   1.572% *  0.1635% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    PHE   97  17.58 +/- 2.32   0.652% *  0.2252% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.71 +/- 2.81   0.938% *  0.1312% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.29 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 = 0.674, support = 4.63, residual support = 52.1:
          HB2   ASP- 105 - HN    PHE   97   5.10 +/- 0.78  35.281% * 63.3104% (0.98   3.44  58.73) =  54.447%  kept
          HB2   MET   96 - HN    PHE   97   4.29 +/- 0.31  52.964% * 35.2372% (0.31   6.07  44.17) =  45.492%  kept
          HG12  ILE  119 - HN    PHE   97  13.34 +/- 4.90   4.342% *  0.1546% (0.41   0.02   0.94) =   0.016%
          HG2   GLU- 100 - HN    PHE   97  12.83 +/- 1.02   2.112% *  0.2874% (0.76   0.02   0.02) =   0.015%
          HB3   ASP-  76 - HN    PHE   97  15.69 +/- 2.44   1.898% *  0.3141% (0.84   0.02   0.02) =   0.015%
          HG3   MET   92 - HN    PHE   97  16.56 +/- 1.12   0.971% *  0.3372% (0.90   0.02   0.02) =   0.008%
          HB2   GLU-  29 - HN    PHE   97  19.74 +/- 2.38   0.625% *  0.3011% (0.80   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   97  14.09 +/- 1.97   1.806% *  0.0580% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.156, support = 6.05, residual support = 44.0:
          HB3   MET   96 - HN    PHE   97   4.09 +/- 0.33  83.362% * 91.3843% (0.15   6.07  44.17) =  99.657%  kept
          HB3   PRO   58 - HN    PHE   97  17.14 +/- 4.47   8.864% *  1.9121% (0.98   0.02   0.02) =   0.222%  kept
          HB2   MET   92 - HN    PHE   97  15.54 +/- 1.08   1.813% *  1.6921% (0.87   0.02   0.02) =   0.040%
          HB3   GLN   30 - HN    PHE   97  15.47 +/- 2.09   1.958% *  1.4165% (0.73   0.02   0.02) =   0.036%
          HB3   LYS+  38 - HN    PHE   97  17.26 +/- 2.50   1.381% *  1.0263% (0.53   0.02   0.02) =   0.019%
          HB    ILE   56 - HN    PHE   97  17.02 +/- 4.05   1.649% *  0.7321% (0.38   0.02   0.02) =   0.016%
          HB3   GLU-  14 - HN    PHE   97  23.20 +/- 3.91   0.670% *  0.7321% (0.38   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    PHE   97  30.85 +/- 4.66   0.303% *  1.1044% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.623, support = 1.88, residual support = 2.32:
          QG2   ILE  103 - HN    PHE   97   3.21 +/- 0.52  75.047% * 58.1605% (0.61   1.98   2.45) =  88.961%  kept
          QD2   LEU   40 - HN    PHE   97   7.59 +/- 3.05  13.530% * 39.5060% (0.76   1.07   1.33) =  10.894%  kept
          QD1   LEU   67 - HN    PHE   97  11.37 +/- 2.59   4.713% *  0.7036% (0.73   0.02   0.02) =   0.068%
          HB    VAL   75 - HN    PHE   97  11.19 +/- 1.73   2.914% *  0.9166% (0.95   0.02   0.02) =   0.054%
          QD1   ILE  119 - HN    PHE   97  12.13 +/- 3.62   2.893% *  0.2416% (0.25   0.02   0.94) =   0.014%
          HG3   LYS+  74 - HN    PHE   97  15.48 +/- 1.88   0.902% *  0.4717% (0.49   0.02   0.02) =   0.009%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.237, support = 3.98, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.64 +/- 0.40  86.489% * 84.9863% (0.24   3.99  11.96) =  99.574%  kept
          HG3   GLN  116 - HN    MET   96  15.20 +/- 2.66   1.715% * 12.0347% (0.46   0.29   0.02) =   0.280%  kept
          HB3   TRP   87 - HN    MET   96   9.50 +/- 3.12   9.311% *  0.9669% (0.54   0.02   0.02) =   0.122%  kept
          HG2   GLU-  25 - HN    MET   96  20.19 +/- 2.80   0.708% *  1.6741% (0.93   0.02   0.02) =   0.016%
          HG2   GLN  116 - HN    MET   96  14.93 +/- 2.42   1.777% *  0.3380% (0.19   0.02   0.02) =   0.008%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.03, residual support = 115.4:
      O   HB2   MET   96 - HN    MET   96   2.67 +/- 0.27  87.954% * 99.6054% (0.94  10.0   4.03 115.39) =  99.992%  kept
          HB    VAL   70 - HN    MET   96  10.88 +/- 2.59   3.612% *  0.0725% (0.69   1.0   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    MET   96   7.78 +/- 1.13   4.767% *  0.0448% (0.42   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    MET   96  12.25 +/- 1.96   1.411% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  15.69 +/- 3.64   0.717% *  0.0646% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.44 +/- 0.79   0.520% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  19.82 +/- 2.52   0.266% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.50 +/- 0.66   0.752% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.96, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.87 +/- 0.34  93.678% * 99.5022% (0.57  10.0   3.96 115.39) =  99.994%  kept
          HB2   LEU   40 - HN    MET   96  11.98 +/- 1.22   1.627% *  0.1552% (0.89   1.0   0.02   0.02) =   0.003%
          HB    VAL   18 - HN    MET   96  13.33 +/- 4.86   2.026% *  0.0863% (0.50   1.0   0.02   0.02) =   0.002%
          HB2   LEU   67 - HN    MET   96  12.41 +/- 2.33   1.881% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    MET   96  18.62 +/- 1.83   0.398% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  22.06 +/- 3.61   0.277% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.78 +/- 4.15   0.113% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.205, support = 1.44, residual support = 15.0:
          HB    VAL   43 - HN    MET   96   4.27 +/- 1.46  64.054% * 60.2038% (0.19   1.50  15.71) =  95.572%  kept
          HG2   PRO   93 - HN    MET   96  10.91 +/- 0.67   4.036% * 23.0493% (0.46   0.23   0.02) =   2.306%  kept
          QB    LYS+  65 - HN    MET   96  11.25 +/- 2.96  15.497% *  3.3880% (0.79   0.02   0.02) =   1.301%  kept
          HB2   LEU   71 - HN    MET   96  13.32 +/- 2.63   2.953% *  3.5185% (0.82   0.02   0.02) =   0.258%  kept
          QB    LYS+ 102 - HN    MET   96  12.25 +/- 0.54   2.840% *  2.9454% (0.69   0.02   0.13) =   0.207%  kept
          QB    LYS+  66 - HN    MET   96  12.96 +/- 2.55   4.681% *  1.0114% (0.24   0.02   0.02) =   0.117%  kept
          HB3   GLN   17 - HN    MET   96  17.44 +/- 3.53   1.184% *  3.7444% (0.87   0.02   0.02) =   0.110%  kept
          HB2   LYS+  99 - HN    MET   96  11.16 +/- 0.51   3.540% *  1.1278% (0.26   0.02   0.02) =   0.099%
          QD    LYS+  81 - HN    MET   96  16.78 +/- 1.68   1.215% *  1.0114% (0.24   0.02   0.02) =   0.030%
    Distance limit 4.04 A violated in 0 structures by 0.23 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.831, support = 1.63, residual support = 3.05:
          QG2   THR   94 - HN    MET   96   4.37 +/- 0.44  71.375% * 86.6796% (0.85   1.66   3.01) =  97.376%  kept
          HG12  ILE   89 - HN    MET   96   8.91 +/- 2.96  15.904% *  9.7378% (0.21   0.75   4.94) =   2.438%  kept
          HB3   LYS+ 112 - HN    MET   96  14.53 +/- 2.52   4.610% *  1.0117% (0.82   0.02   0.02) =   0.073%
          HB3   LEU   71 - HN    MET   96  13.70 +/- 2.10   3.203% *  1.1033% (0.89   0.02   0.02) =   0.056%
          HD2   LYS+ 112 - HN    MET   96  15.19 +/- 2.58   2.486% *  1.1433% (0.93   0.02   0.02) =   0.045%
          HG3   LYS+ 111 - HN    MET   96  14.90 +/- 2.03   2.423% *  0.3243% (0.26   0.02   0.02) =   0.012%
    Distance limit 4.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.768, support = 2.8, residual support = 14.7:
          QG1   VAL   43 - HN    MET   96   3.93 +/- 1.17  59.985% * 78.6493% (0.76   2.96  15.71) =  93.386%  kept
          QG2   THR   46 - HN    MET   96   8.26 +/- 1.43  16.753% * 19.2480% (0.94   0.58   0.14) =   6.383%  kept
          QD2   LEU  104 - HN    MET   96   8.42 +/- 1.04  10.340% *  0.4824% (0.69   0.02   0.02) =   0.099%
          QG2   VAL   18 - HN    MET   96  11.36 +/- 3.45   4.591% *  0.6411% (0.91   0.02   0.02) =   0.058%
          QG1   VAL   41 - HN    MET   96   9.09 +/- 1.44   6.111% *  0.4029% (0.57   0.02   0.02) =   0.049%
          QD1   ILE   19 - HN    MET   96  13.72 +/- 1.91   2.219% *  0.5762% (0.82   0.02   0.02) =   0.025%
    Distance limit 4.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.756, support = 0.634, residual support = 0.216:
          QD1   LEU   73 - HN    MET   96   8.36 +/- 2.15  15.097% * 21.4183% (0.85   0.47   0.02) =  25.924%  kept
          QD1   LEU   63 - HN    MET   96   9.33 +/- 2.72  11.694% * 27.3992% (0.85   0.61   0.35) =  25.687%  kept
          QD2   LEU   63 - HN    MET   96   8.96 +/- 2.94  15.088% * 20.1014% (0.79   0.48   0.35) =  24.316%  kept
          QD2   LEU  115 - HN    MET   96   9.87 +/- 2.41   9.720% * 29.6472% (0.54   1.04   0.16) =  23.103%  kept
          QG2   VAL   41 - HN    MET   96   8.06 +/- 1.45  12.323% *  0.2805% (0.26   0.02   0.02) =   0.277%  kept
          QD1   LEU  104 - HN    MET   96   8.63 +/- 1.05   9.101% *  0.3114% (0.29   0.02   0.02) =   0.227%  kept
          QD2   LEU   98 - HN    MET   96   7.07 +/- 1.33  17.782% *  0.1557% (0.15   0.02   0.37) =   0.222%  kept
          QD2   LEU   80 - HN    MET   96  12.05 +/- 2.16   4.277% *  0.5308% (0.50   0.02   0.02) =   0.182%  kept
          QD1   LEU   80 - HN    MET   96  12.09 +/- 2.94   4.919% *  0.1557% (0.15   0.02   0.02) =   0.061%
    Distance limit 4.64 A violated in 3 structures by 0.62 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.678, support = 1.42, residual support = 4.22:
          QD1   ILE   89 - HN    MET   96   6.21 +/- 2.76  54.233% * 68.9190% (0.72   1.50   4.94) =  83.129%  kept
          QG2   VAL   83 - HN    MET   96   8.94 +/- 2.33  24.422% * 30.9183% (0.46   1.06   0.67) =  16.793%  kept
          QD2   LEU   31 - HN    MET   96  10.94 +/- 2.61  21.345% *  0.1627% (0.13   0.02   0.02) =   0.077%
    Distance limit 4.51 A violated in 6 structures by 1.35 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.4:
      O   HB2   PHE   95 - HN    PHE   95   2.61 +/- 0.27 100.000% *100.0000% (0.87  10.0   3.86  73.44) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.4:
      O   HB3   PHE   95 - HN    PHE   95   3.56 +/- 0.31  91.490% * 99.8580% (0.98  10.0   4.19  73.44) =  99.991%  kept
          HG2   GLN  116 - HN    PHE   95  13.07 +/- 2.84   8.070% *  0.0964% (0.95   1.0   0.02   0.02) =   0.009%
          HG2   GLU-  25 - HN    PHE   95  22.62 +/- 2.73   0.440% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.985, support = 3.66, residual support = 45.7:
          HB    VAL  107 - HN    PHE   95   3.88 +/- 0.47  63.634% * 93.2299% (0.99   3.73  46.61) =  97.992%  kept
          HB3   PHE   45 - HN    PHE   95   6.10 +/- 1.50  27.386% *  3.9627% (0.69   0.23   1.89) =   1.793%  kept
          QE    LYS+ 112 - HN    PHE   95  11.28 +/- 2.49   5.700% *  2.1715% (0.69   0.13   0.02) =   0.204%  kept
          QG    GLU-  79 - HN    PHE   95  13.77 +/- 2.77   2.504% *  0.1894% (0.38   0.02   0.02) =   0.008%
          QG    GLN   32 - HN    PHE   95  21.13 +/- 1.74   0.426% *  0.3467% (0.69   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   95  22.77 +/- 2.09   0.350% *  0.0999% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.789, support = 4.33, residual support = 18.3:
          QG2   THR   94 - HN    PHE   95   2.49 +/- 0.43  62.058% * 79.9312% (0.87   4.31  14.56) =  88.224%  kept
          QG2   VAL  107 - HN    PHE   95   3.49 +/- 1.02  34.723% * 19.0415% (0.20   4.50  46.61) =  11.760%  kept
          HG13  ILE  103 - HN    PHE   95  10.09 +/- 1.02   1.469% *  0.2595% (0.61   0.02   0.02) =   0.007%
          HB3   LYS+ 112 - HN    PHE   95  11.94 +/- 2.15   0.876% *  0.3837% (0.90   0.02   0.02) =   0.006%
          HD2   LYS+ 112 - HN    PHE   95  12.84 +/- 2.28   0.590% *  0.2083% (0.49   0.02   0.02) =   0.002%
          HB3   LEU   71 - HN    PHE   95  17.38 +/- 2.04   0.283% *  0.1759% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 24.8:
      O   HB    THR   94 - HN    THR   94   2.85 +/- 0.35  86.169% * 98.9931% (0.65  10.0   3.08  24.83) =  99.985%  kept
          HA    LYS+  65 - HN    THR   94  13.45 +/- 3.76   3.226% *  0.1413% (0.92   1.0   0.02   0.02) =   0.005%
          QB    SER   48 - HN    THR   94  10.79 +/- 1.52   2.306% *  0.1169% (0.76   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    THR   94  13.22 +/- 1.25   0.998% *  0.1477% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  11.49 +/- 2.97   2.087% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  17.01 +/- 2.30   0.533% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  14.49 +/- 2.41   0.830% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    THR   94  12.20 +/- 1.82   1.571% *  0.0382% (0.25   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    THR   94  22.10 +/- 4.39   0.270% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.96 +/- 2.32   0.426% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  12.03 +/- 1.14   1.306% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.58 +/- 2.34   0.277% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.3:
          HB2   PHE   45 - HN    THR   94   3.25 +/- 0.59  94.339% * 98.8926% (0.95   2.96  27.34) =  99.962%  kept
          QE    LYS+ 111 - HN    THR   94  11.32 +/- 2.27   4.297% *  0.7071% (1.00   0.02   0.02) =   0.033%
          HB2   CYS   21 - HN    THR   94  15.76 +/- 2.83   1.364% *  0.4003% (0.57   0.02   0.02) =   0.006%
    Distance limit 4.13 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 = 0.555, support = 1.43, residual support = 25.1:
          HB3   PHE   45 - HN    THR   94   3.34 +/- 1.08  58.561% * 59.7494% (0.57   1.50  27.34) =  91.749%  kept
          HB    VAL  107 - HN    THR   94   7.40 +/- 0.66   7.678% * 16.5901% (0.20   1.19   0.02) =   3.340%  kept
          HB3   ASP-  62 - HN    THR   94  11.11 +/- 4.91  22.677% *  5.3531% (0.69   0.11   0.02) =   3.183%  kept
          HG3   MET   96 - HN    THR   94   9.73 +/- 0.70   3.384% * 10.3374% (0.28   0.53   3.01) =   0.917%  kept
          QE    LYS+ 112 - HN    THR   94  10.83 +/- 3.29   5.671% *  4.9903% (0.57   0.13   0.02) =   0.742%  kept
          HB3   ASP-  86 - HN    THR   94  13.60 +/- 1.39   1.595% *  1.3947% (0.99   0.02   0.02) =   0.058%
          HG2   GLU-  29 - HN    THR   94  22.73 +/- 2.48   0.274% *  1.3947% (0.99   0.02   0.02) =   0.010%
          HG2   GLU-  36 - HN    THR   94  26.73 +/- 1.87   0.160% *  0.1904% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.81 +/- 0.25  75.890% * 99.5171% (0.98  10.0   4.38  15.62) =  99.982%  kept
          HB    VAL  108 - HN    THR   94   8.67 +/- 1.73   9.676% *  0.0697% (0.69   1.0   0.02   0.02) =   0.009%
          HG3   PRO   52 - HN    THR   94  11.92 +/- 3.83   5.907% *  0.0417% (0.41   1.0   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    THR   94  14.88 +/- 2.44   1.643% *  0.0776% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   94  13.55 +/- 2.30   2.460% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    THR   94  14.13 +/- 2.79   1.882% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.84 +/- 2.08   0.872% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    THR   94  25.04 +/- 3.48   0.325% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.44 +/- 2.44   0.780% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.04 +/- 0.73   0.407% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.23 +/- 4.35   0.157% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 2.82, residual support = 15.4:
      O   HB3   PRO   93 - HN    THR   94   3.77 +/- 0.38  44.302% * 94.7690% (0.90  10.0   2.83  15.62) =  98.478%  kept
          HB3   ASP-  44 - HN    THR   94   5.96 +/- 1.16  14.104% *  4.3997% (0.49   1.0   1.71   0.02) =   1.456%  kept
          HB2   LYS+ 112 - HN    THR   94  11.77 +/- 2.99  10.906% *  0.0808% (0.76   1.0   0.02   0.02) =   0.021%
          HG3   LYS+  65 - HN    THR   94  13.68 +/- 4.86  10.884% *  0.0598% (0.57   1.0   0.02   0.02) =   0.015%
          QB    ALA   84 - HN    THR   94   8.70 +/- 1.56   5.124% *  0.0917% (0.87   1.0   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HN    THR   94  10.79 +/- 1.25   2.097% *  0.0917% (0.87   1.0   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    THR   94  12.22 +/- 2.26   2.267% *  0.0684% (0.65   1.0   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    THR   94  11.19 +/- 3.12   3.743% *  0.0397% (0.38   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    THR   94  11.37 +/- 0.93   1.694% *  0.0598% (0.57   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    THR   94  14.22 +/- 1.93   1.069% *  0.0808% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   94  11.94 +/- 2.42   2.201% *  0.0294% (0.28   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    THR   94  19.79 +/- 1.65   0.347% *  0.0726% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    THR   94  19.78 +/- 2.43   0.346% *  0.0684% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    THR   94  21.44 +/- 2.17   0.277% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  19.14 +/- 2.81   0.471% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.95 +/- 3.49   0.168% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.376, support = 3.27, residual support = 23.1:
          QG2   THR   94 - HN    THR   94   3.78 +/- 0.33  64.374% * 65.5254% (0.34   3.51  24.83) =  91.295%  kept
          HG12  ILE   89 - HN    THR   94   7.52 +/- 1.55  12.437% * 31.3811% (0.76   0.75   5.35) =   8.447%  kept
          HB3   LYS+ 112 - HN    THR   94  11.79 +/- 2.85  14.146% *  0.3380% (0.31   0.02   0.02) =   0.103%  kept
          HD2   LYS+ 112 - HN    THR   94  12.36 +/- 3.61   5.008% *  0.7951% (0.73   0.02   0.02) =   0.086%
          HG3   LYS+ 111 - HN    THR   94  11.80 +/- 1.84   2.640% *  0.9146% (0.84   0.02   0.02) =   0.052%
          HB3   LEU   71 - HN    THR   94  17.67 +/- 1.72   0.706% *  0.8768% (0.80   0.02   0.02) =   0.013%
          HG    LEU   71 - HN    THR   94  18.05 +/- 2.22   0.689% *  0.1690% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.896, support = 0.749, residual support = 5.34:
          QG2   ILE   89 - HN    THR   94   5.26 +/- 1.32  81.008% * 99.1801% (0.90   0.75   5.35) =  99.807%  kept
          QG1   VAL   83 - HN    THR   94  10.64 +/- 1.65  18.992% *  0.8199% (0.28   0.02   0.02) =   0.193%  kept
    Distance limit 4.60 A violated in 2 structures by 0.74 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.279, support = 3.12, residual support = 49.3:
          HG3   MET   92 - HN    MET   92   3.61 +/- 0.72  75.259% * 45.6619% (0.14   3.74  61.32) =  80.311%  kept
          QG    GLN   90 - HN    MET   92   6.55 +/- 0.69  18.627% * 44.7514% (0.87   0.57   0.11) =  19.481%  kept
          HB2   ASP-  44 - HN    MET   92  12.40 +/- 1.21   2.682% *  1.7668% (0.98   0.02   0.02) =   0.111%  kept
          HG12  ILE  119 - HN    MET   92  16.40 +/- 2.80   1.705% *  0.9483% (0.53   0.02   0.02) =   0.038%
          HB3   PHE   72 - HN    MET   92  19.02 +/- 1.85   0.723% *  1.6639% (0.92   0.02   0.02) =   0.028%
          QG    GLU-  15 - HN    MET   92  25.73 +/- 3.13   0.287% *  1.8025% (1.00   0.02   0.02) =   0.012%
          QG    GLU-  14 - HN    MET   92  27.11 +/- 3.89   0.286% *  1.7395% (0.97   0.02   0.02) =   0.012%
          QB    MET   11 - HN    MET   92  32.20 +/- 4.08   0.152% *  1.3089% (0.73   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    MET   92  26.22 +/- 3.59   0.279% *  0.3567% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.25 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 = 3.65, residual support = 61.2:
      O   HB2   MET   92 - HN    MET   92   3.10 +/- 0.58  81.975% * 98.1888% (1.00  10.0   3.65  61.32) =  99.837%  kept
          HB3   GLN   90 - HN    MET   92   7.03 +/- 0.65   9.301% *  1.3733% (0.18   1.0   1.59   0.11) =   0.158%  kept
          HB    ILE   56 - HN    MET   92  15.60 +/- 4.14   2.425% *  0.0637% (0.65   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    MET   92  11.75 +/- 2.92   2.632% *  0.0219% (0.22   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    MET   92  12.57 +/- 1.09   2.203% *  0.0245% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  19.32 +/- 3.12   0.510% *  0.0950% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   92  22.56 +/- 2.92   0.401% *  0.0931% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.43 +/- 1.45   0.130% *  0.0788% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.93 +/- 1.85   0.236% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  30.04 +/- 3.99   0.122% *  0.0172% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  36.95 +/- 4.39   0.066% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.561, support = 3.99, residual support = 60.5:
      O   HB3   MET   92 - HN    MET   92   3.64 +/- 0.37  64.346% * 94.2098% (0.57  10.0   4.01  61.32) =  98.674%  kept
          HG3   PRO   93 - HN    MET   92   5.88 +/- 0.86  16.072% *  4.9786% (0.20   1.0   3.02   1.91) =   1.302%  kept
          QG1   ILE   56 - HN    MET   92  13.24 +/- 3.26   2.964% *  0.1272% (0.76   1.0   0.02   0.02) =   0.006%
          HB    ILE   89 - HN    MET   92   8.47 +/- 1.24   6.763% *  0.0415% (0.25   1.0   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HN    MET   92  13.40 +/- 1.34   1.640% *  0.1492% (0.90   1.0   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    MET   92  12.83 +/- 3.23   3.175% *  0.0746% (0.45   1.0   0.02   0.02) =   0.004%
          HB2   LEU  123 - HN    MET   92  22.64 +/- 4.81   3.680% *  0.0370% (0.22   1.0   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    MET   92  17.87 +/- 2.68   0.818% *  0.1208% (0.73   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  22.73 +/- 0.99   0.290% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.87 +/- 1.33   0.253% *  0.1076% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 3.13, residual support = 9.26:
          QB    ALA   91 - HN    MET   92   3.12 +/- 0.28  93.137% * 96.2797% (1.00   3.14   9.26) =  99.970%  kept
          QG2   ILE   56 - HN    MET   92  12.42 +/- 3.50   3.662% *  0.4228% (0.69   0.02   0.02) =   0.017%
          HG2   LYS+  74 - HN    MET   92  15.62 +/- 1.98   0.916% *  0.3982% (0.65   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    MET   92  21.76 +/- 1.66   0.330% *  0.6141% (1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    MET   92  23.47 +/- 2.70   0.270% *  0.5339% (0.87   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    MET   92  20.58 +/- 1.74   0.391% *  0.2996% (0.49   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    MET   92  23.82 +/- 2.53   0.254% *  0.3733% (0.61   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  18.47 +/- 3.33   0.730% *  0.1218% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  25.68 +/- 1.49   0.190% *  0.4228% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  30.23 +/- 1.71   0.120% *  0.5339% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 7.63:
          HA    ILE   89 - HN    ALA   91   3.75 +/- 0.39  79.916% * 96.1937% (0.61   2.48   7.63) =  99.952%  kept
          HB    THR  118 - HN    ALA   91  16.20 +/- 3.14   1.451% *  1.2076% (0.95   0.02   0.02) =   0.023%
          HB3   SER   82 - HN    ALA   91  13.93 +/- 1.15   1.815% *  0.2236% (0.18   0.02   0.02) =   0.005%
          HB    THR  118 - HN    TRP   27  22.29 +/- 4.34   2.270% *  0.1492% (0.12   0.02   0.02) =   0.004%
          QB    SER   13 - HN    TRP   27  15.57 +/- 3.80   4.278% *  0.0648% (0.05   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    TRP   27  16.66 +/- 8.21   5.984% *  0.0276% (0.02   0.02   0.02) =   0.002%
          HB    THR   39 - HN    ALA   91  25.51 +/- 1.48   0.274% *  0.5723% (0.45   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    ALA   91  28.42 +/- 1.60   0.197% *  0.7743% (0.61   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    TRP   27  15.28 +/- 1.59   1.440% *  0.0957% (0.07   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  29.18 +/- 3.52   0.203% *  0.5248% (0.41   0.02   0.02) =   0.001%
          HB    THR   39 - HN    TRP   27  15.25 +/- 1.89   1.500% *  0.0707% (0.06   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    TRP   27  19.76 +/- 3.71   0.672% *  0.0957% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.71, support = 4.9, residual support = 31.7:
          HB2   GLN   90 - HN    ALA   91   3.83 +/- 0.45  47.318% * 91.7230% (0.73   4.96  32.41) =  97.629%  kept
          HB2   GLU-  25 - HN    TRP   27   5.05 +/- 0.21  21.990% *  2.5185% (0.02   4.04   0.65) =   1.246%  kept
          HG3   GLU-  29 - HN    TRP   27   6.08 +/- 0.55  12.829% *  3.2008% (0.11   1.13   0.02) =   0.924%  kept
          HB3   GLU-  29 - HN    TRP   27   6.90 +/- 0.44   9.438% *  0.8882% (0.07   0.54   0.02) =   0.189%  kept
          HB3   GLU-  79 - HN    ALA   91  13.49 +/- 2.62   1.999% *  0.1009% (0.20   0.02   0.02) =   0.005%
          HG3   GLU-  29 - HN    ALA   91  26.09 +/- 3.72   0.198% *  0.4571% (0.90   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ALA   91  29.45 +/- 1.39   0.113% *  0.4821% (0.95   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   91  26.57 +/- 3.60   0.183% *  0.2681% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  13.69 +/- 6.00   3.357% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  18.28 +/- 1.45   0.546% *  0.0596% (0.12   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  24.05 +/- 4.17   0.293% *  0.1009% (0.20   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    ALA   91  27.16 +/- 1.80   0.151% *  0.1271% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.35 +/- 0.67   1.197% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  21.98 +/- 4.37   0.389% *  0.0457% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.972, support = 4.89, residual support = 31.9:
          HB3   GLN   90 - HN    ALA   91   3.73 +/- 0.65  43.649% * 90.8648% (0.99   4.96  32.41) =  97.706%  kept
          HB2   MET   92 - HN    ALA   91   5.95 +/- 1.12  16.032% *  5.5704% (0.15   1.95   9.26) =   2.200%  kept
          QB    LYS+  81 - HN    ALA   91  10.57 +/- 2.09   2.889% *  0.3570% (0.97   0.02   0.02) =   0.025%
          QB    LYS+ 106 - HN    ALA   91  10.91 +/- 1.54   2.298% *  0.3499% (0.95   0.02   0.02) =   0.020%
          HG3   PRO   68 - HN    ALA   91  23.66 +/- 5.09   0.921% *  0.3415% (0.92   0.02   0.02) =   0.008%
          HB3   ASP- 105 - HN    ALA   91  16.83 +/- 2.64   0.633% *  0.3626% (0.98   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    TRP   27   5.19 +/- 0.68  19.076% *  0.0114% (0.03   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ALA   91  17.25 +/- 2.16   0.535% *  0.3499% (0.95   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    ALA   91  18.98 +/- 3.52   0.462% *  0.3570% (0.97   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ALA   91  17.32 +/- 3.92   0.752% *  0.2094% (0.57   0.02   0.02) =   0.004%
          QB    LYS+  33 - HN    TRP   27   9.18 +/- 0.82   3.414% *  0.0457% (0.12   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    ALA   91  14.55 +/- 4.87   1.639% *  0.0922% (0.25   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    ALA   91  22.50 +/- 4.04   1.001% *  0.0922% (0.25   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ALA   91  24.33 +/- 2.11   0.191% *  0.3699% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  16.64 +/- 6.20   1.323% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  21.97 +/- 3.00   0.283% *  0.0922% (0.25   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    TRP   27  19.79 +/- 3.86   0.574% *  0.0422% (0.11   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    TRP   27  17.70 +/- 2.46   0.487% *  0.0432% (0.12   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  18.97 +/- 4.06   0.457% *  0.0432% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.48 +/- 3.07   0.394% *  0.0448% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.51 +/- 1.38   0.111% *  0.1521% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  21.65 +/- 4.21   0.353% *  0.0453% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  24.34 +/- 5.15   0.258% *  0.0441% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.43 +/- 1.78   0.596% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.36 +/- 3.44   0.310% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  25.00 +/- 5.42   0.647% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  21.45 +/- 3.65   0.481% *  0.0071% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.33 +/- 3.37   0.232% *  0.0114% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.09 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.07, residual support = 12.8:
      O   QB    ALA   91 - HN    ALA   91   2.31 +/- 0.19  77.578% * 99.2924% (0.92  10.0   3.07  12.82) =  99.997%  kept
          QG2   THR   23 - HN    TRP   27   4.70 +/- 0.88  13.633% *  0.0055% (0.05   1.0   0.02   1.32) =   0.001%
          QG2   ILE   56 - HN    ALA   91  13.97 +/- 3.38   0.692% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    TRP   27  10.05 +/- 1.75   3.057% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.18 +/- 0.55   1.293% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  15.94 +/- 2.45   0.321% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  18.40 +/- 3.28   0.270% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.89 +/- 1.75   0.137% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.36 +/- 1.55   0.111% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.88 +/- 1.63   0.546% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.58 +/- 3.02   0.093% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.26 +/- 1.51   0.040% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.76 +/- 2.14   0.752% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.54 +/- 2.91   0.097% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  24.11 +/- 1.94   0.077% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.55 +/- 2.75   0.214% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  19.01 +/- 2.98   0.207% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.02 +/- 1.24   0.158% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.25 +/- 3.81   0.355% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  15.21 +/- 2.37   0.368% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.33, residual support = 159.8:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.014% * 99.2019% (0.18  10.0   5.33 159.77) =  99.996%  kept
          HA    ALA   20 - HN    LYS+ 102  21.14 +/- 3.11   0.378% *  0.5652% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU   71 - HN    LYS+ 102  16.94 +/- 2.97   0.608% *  0.2329% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 4.06 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   3.42 +/- 0.15  91.726% * 99.3899% (0.61  10.0   3.13  12.52) =  99.995%  kept
          HA    THR   26 - HN    LYS+ 102  20.55 +/- 4.27   0.754% *  0.1624% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    LYS+ 102  14.67 +/- 4.03   1.780% *  0.0674% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+ 102  16.30 +/- 4.94   1.816% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    LYS+ 102  20.66 +/- 5.86   2.192% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  22.92 +/- 3.22   0.367% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    LYS+ 102  25.85 +/- 3.59   0.360% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.62 +/- 3.27   0.542% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  21.28 +/- 3.59   0.465% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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   2.76 +/- 0.54  99.036% * 99.6785% (0.28  10.0   3.13  12.52) =  99.998%  kept
          HB2   TRP   27 - HN    LYS+ 102  18.70 +/- 4.26   0.752% *  0.1607% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    LYS+ 102  23.73 +/- 1.11   0.211% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.837, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  18.74 +/- 5.14  15.381% * 13.6482% (0.95   0.02   0.02) =  19.002%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.60 +/- 5.92  12.817% * 14.4279% (1.00   0.02   0.02) =  16.739%  kept
          QB    GLU- 114 - HN    LYS+ 102  20.13 +/- 2.41  11.833% * 12.0512% (0.84   0.02   0.02) =  12.908%  kept
          HB    ILE   19 - HN    LYS+ 102  18.84 +/- 2.95  11.307% * 11.0262% (0.76   0.02   0.02) =  11.285%  kept
          HB2   GLN   17 - HN    LYS+ 102  21.92 +/- 5.16   8.887% * 13.6482% (0.95   0.02   0.02) =  10.979%  kept
          HG2   PRO   68 - HN    LYS+ 102  20.87 +/- 3.44  10.880% *  9.9106% (0.69   0.02   0.02) =   9.760%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  24.61 +/- 2.97   6.865% * 12.9393% (0.90   0.02   0.02) =   8.041%  kept
          HB3   PRO   68 - HN    LYS+ 102  21.98 +/- 3.28   8.816% *  8.7509% (0.61   0.02   0.02) =   6.984%  kept
          HG3   GLN   30 - HN    LYS+ 102  18.18 +/- 3.15  13.213% *  3.5976% (0.25   0.02   0.02) =   4.303%  kept
    Distance limit 4.52 A violated in 20 structures by 8.00 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 4.81, residual support = 159.0:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.55 +/- 0.19  89.353% * 92.2973% (0.98  10.0   4.82 159.77) =  99.400%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.33 +/- 0.67   6.849% *  7.2292% (0.45   1.0   3.42  23.47) =   0.597%  kept
          HB    VAL   41 - HN    LYS+ 102  11.04 +/- 3.41   1.966% *  0.0571% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+ 102  15.93 +/- 3.79   0.542% *  0.0844% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    LYS+ 102  19.93 +/- 1.99   0.218% *  0.0869% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  21.56 +/- 5.41   0.515% *  0.0353% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  20.78 +/- 2.12   0.189% *  0.0754% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.45 +/- 0.97   0.120% *  0.0923% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  24.16 +/- 6.17   0.159% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  28.41 +/- 3.84   0.087% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 4.18, residual support = 129.2:
          HG2   LYS+ 102 - HN    LYS+ 102   3.72 +/- 0.23  64.378% * 60.2522% (0.28   4.59 159.77) =  80.657%  kept
          QB    LEU   98 - HN    LYS+ 102   5.38 +/- 0.98  28.261% * 32.7466% (0.28   2.49   1.75) =  19.244%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  18.90 +/-10.34   1.770% *  0.5351% (0.57   0.02   0.02) =   0.020%
          QB    ALA   61 - HN    LYS+ 102  17.79 +/- 3.24   0.959% *  0.8476% (0.90   0.02   0.02) =   0.017%
          HG12  ILE   19 - HN    LYS+ 102  19.87 +/- 3.40   0.557% *  0.9430% (1.00   0.02   0.02) =   0.011%
          HG    LEU   73 - HN    LYS+ 102  15.41 +/- 2.33   1.267% *  0.3547% (0.38   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    LYS+ 102  19.82 +/- 1.64   0.468% *  0.9430% (1.00   0.02   0.02) =   0.009%
          HG    LEU   80 - HN    LYS+ 102  22.21 +/- 4.14   0.461% *  0.9368% (0.99   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    LYS+ 102  19.44 +/- 3.34   0.572% *  0.7223% (0.76   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+ 102  21.68 +/- 3.70   0.438% *  0.6863% (0.73   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LYS+ 102  20.13 +/- 2.34   0.465% *  0.4973% (0.53   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    LYS+ 102  21.21 +/- 2.35   0.403% *  0.5351% (0.57   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.582, support = 1.47, residual support = 0.988:
          QD2   LEU  104 - HN    LYS+ 102   4.31 +/- 0.87  46.680% * 44.0687% (0.95   0.44   0.32) =  52.724%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.11 +/- 1.43  37.642% * 48.5719% (0.18   2.64   1.75) =  46.860%  kept
          QG1   VAL   41 - HN    LYS+ 102   8.74 +/- 2.88   8.664% *  0.7179% (0.34   0.02   0.02) =   0.159%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.70 +/- 1.66   3.972% *  1.1073% (0.53   0.02   0.02) =   0.113%  kept
          QD1   ILE   19 - HN    LYS+ 102  16.43 +/- 2.75   0.971% *  2.1000% (1.00   0.02   0.02) =   0.052%
          QG2   THR   46 - HN    LYS+ 102  18.53 +/- 2.21   1.091% *  1.8257% (0.87   0.02   0.02) =   0.051%
          QG2   VAL   18 - HN    LYS+ 102  17.40 +/- 3.29   0.980% *  1.6085% (0.76   0.02   0.02) =   0.040%
    Distance limit 4.29 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 = 6.31, residual support = 39.5:
      O   HA    ILE   89 - HN    GLN   90   2.50 +/- 0.37  97.856% * 99.5753% (0.61  10.0   6.31  39.55) =  99.999%  kept
          HB    THR  118 - HN    GLN   90  16.42 +/- 2.98   0.506% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   90  12.65 +/- 1.41   1.324% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  24.73 +/- 1.91   0.137% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  27.60 +/- 2.09   0.094% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.55 +/- 3.56   0.083% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.04 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.75, residual support = 89.3:
          QG    GLN   90 - HN    GLN   90   2.97 +/- 0.61  88.480% * 90.9207% (0.90   5.77  89.80) =  99.481%  kept
          HG3   MET   92 - HN    GLN   90   8.38 +/- 0.87   5.568% *  7.2890% (0.61   0.68   0.11) =   0.502%  kept
          HB2   ASP-  44 - HN    GLN   90  12.32 +/- 1.37   2.184% *  0.2551% (0.73   0.02   0.02) =   0.007%
          HG12  ILE  119 - HN    GLN   90  17.62 +/- 2.44   0.830% *  0.3482% (0.99   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    GLN   90  18.12 +/- 1.70   0.652% *  0.2934% (0.84   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    GLN   90  15.43 +/- 2.87   1.437% *  0.0876% (0.25   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    GLN   90  26.61 +/- 3.95   0.256% *  0.2684% (0.76   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  24.53 +/- 3.75   0.230% *  0.2551% (0.73   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  24.88 +/- 3.64   0.231% *  0.2131% (0.61   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLN   90  31.77 +/- 4.52   0.132% *  0.0695% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 5.67, residual support = 89.6:
      O   HB3   GLN   90 - HN    GLN   90   3.38 +/- 0.44  74.072% * 97.7944% (0.92  10.0   5.68  89.80) =  99.757%  kept
          HB2   MET   92 - HN    GLN   90   7.23 +/- 1.21  12.025% *  1.3603% (0.38   1.0   0.68   0.11) =   0.225%  kept
          QB    LYS+  81 - HN    GLN   90   9.76 +/- 1.98   5.333% *  0.1022% (0.97   1.0   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    GLN   90  10.54 +/- 1.86   3.104% *  0.1038% (0.98   1.0   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    GLN   90  16.39 +/- 2.89   1.164% *  0.0810% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   90  17.80 +/- 3.66   0.832% *  0.0919% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    GLN   90  23.31 +/- 4.57   0.872% *  0.0685% (0.65   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  16.33 +/- 2.58   0.776% *  0.0728% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  19.60 +/- 3.28   0.544% *  0.0769% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    GLN   90  23.51 +/- 2.39   0.273% *  0.0919% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  21.08 +/- 3.12   0.427% *  0.0557% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.72 +/- 1.92   0.156% *  0.0769% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  20.60 +/- 3.21   0.421% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.17, residual support = 39.5:
          QG2   ILE   89 - HN    GLN   90   2.55 +/- 0.53 100.000% *100.0000% (0.65   7.17  39.55) = 100.000%  kept
    Distance limit 3.92 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 = 5.76, residual support = 39.5:
          QD1   ILE   89 - HN    GLN   90   4.49 +/- 0.46  69.875% * 99.5365% (0.49   5.76  39.55) =  99.926%  kept
          QG2   VAL   83 - HN    GLN   90   7.32 +/- 0.81  18.978% *  0.1770% (0.25   0.02   0.02) =   0.048%
          QG2   VAL   75 - HN    GLN   90   9.99 +/- 1.72   8.420% *  0.1770% (0.25   0.02   0.02) =   0.021%
          QG2   VAL   42 - HN    GLN   90  13.62 +/- 0.95   2.726% *  0.1095% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.46 A violated in 0 structures by 0.21 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 9.11:
      O   HA    ALA   88 - HN    ILE   89   3.23 +/- 0.30  78.815% * 99.4024% (0.99  10.0   4.11   9.11) =  99.990%  kept
          QB    SER   85 - HN    ILE   89   6.15 +/- 0.73  13.040% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ILE   89  10.52 +/- 1.10   2.523% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ILE   89  15.88 +/- 2.60   1.253% *  0.0968% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  17.36 +/- 3.12   0.757% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ILE   89  20.86 +/- 5.02   0.668% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  23.67 +/- 4.93   0.299% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  19.45 +/- 4.03   0.694% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  22.82 +/- 4.74   0.320% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.69 +/- 6.34   0.540% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  19.66 +/- 2.86   0.531% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  25.75 +/- 3.82   0.195% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  21.28 +/- 2.73   0.364% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 215.8:
      O   HA    ILE   89 - HN    ILE   89   2.70 +/- 0.17  98.691% * 99.5011% (0.34  10.0   6.00 215.77) =  99.998%  kept
          HB    THR  118 - HN    ILE   89  17.64 +/- 3.63   0.483% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  18.07 +/- 2.14   0.391% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  26.34 +/- 3.34   0.125% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  23.58 +/- 3.04   0.175% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  28.10 +/- 4.46   0.134% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 215.8:
      O   HB    ILE   89 - HN    ILE   89   2.54 +/- 0.60  95.498% * 99.6919% (0.45  10.0   5.57 215.77) =  99.995%  kept
          HB    VAL   43 - HN    ILE   89  10.50 +/- 3.15   2.021% *  0.1170% (0.53   1.0   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ILE   89  10.36 +/- 1.83   2.189% *  0.0997% (0.45   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    ILE   89  19.39 +/- 3.45   0.291% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.74, residual support = 215.4:
          HG12  ILE   89 - HN    ILE   89   2.87 +/- 0.57  87.187% * 96.7257% (0.76   5.75 215.77) =  99.837%  kept
          QB    ALA   91 - HN    ILE   89   6.86 +/- 0.92   9.423% *  1.3477% (0.31   0.20   7.63) =   0.150%  kept
          HG2   LYS+  74 - HN    ILE   89  15.46 +/- 2.56   0.947% *  0.3818% (0.87   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HN    ILE   89  16.41 +/- 2.97   0.740% *  0.3023% (0.69   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    ILE   89  22.07 +/- 4.14   0.480% *  0.3947% (0.90   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  21.66 +/- 3.33   0.298% *  0.3676% (0.84   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  22.50 +/- 3.65   0.344% *  0.2847% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  19.82 +/- 2.42   0.420% *  0.1359% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  26.90 +/- 3.47   0.163% *  0.0596% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.52, residual support = 215.4:
          QG2   ILE   89 - HN    ILE   89   3.41 +/- 0.38  84.743% * 98.9362% (1.00   6.53 215.77) =  99.829%  kept
          QG1   VAL   83 - HN    ILE   89   7.12 +/- 0.89  14.040% *  1.0170% (0.53   0.13   0.02) =   0.170%  kept
          QD1   LEU  104 - HN    ILE   89  15.62 +/- 2.88   1.217% *  0.0468% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 215.8:
          HG13  ILE   89 - HN    ILE   89   3.53 +/- 0.85 100.000% *100.0000% (0.90   5.52 215.77) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.18 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.0:
      O   HA    ALA   88 - HN    ALA   88   2.25 +/- 0.09  97.145% * 99.0917% (0.84  10.0   1.63  12.02) =  99.996%  kept
          HB2   SER   82 - HN    ALA   88   9.21 +/- 0.78   1.492% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ALA   88  17.66 +/- 3.07   0.372% *  0.1425% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ALA   88  22.30 +/- 5.26   0.189% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  19.31 +/- 3.09   0.203% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  23.21 +/- 5.66   0.140% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  24.10 +/- 5.88   0.130% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  26.35 +/- 4.65   0.078% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  21.70 +/- 2.70   0.139% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  22.79 +/- 3.09   0.112% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.725, support = 2.06, residual support = 12.0:
      O   QB    ALA   88 - HN    ALA   88   2.90 +/- 0.20  74.711% * 98.4105% (0.73  10.0   2.06  12.02) =  99.815%  kept
          QB    ALA   84 - HN    ALA   88   4.86 +/- 0.48  17.727% *  0.7376% (0.15   1.0   0.71   0.02) =   0.178%  kept
          HB3   LEU   80 - HN    ALA   88   9.89 +/- 0.99   2.134% *  0.0931% (0.69   1.0   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    ALA   88  10.16 +/- 2.19   2.479% *  0.0462% (0.34   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ALA   88  18.43 +/- 3.46   0.468% *  0.1215% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ALA   88  20.56 +/- 6.07   0.430% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   88  14.55 +/- 1.59   0.707% *  0.0608% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   88  22.27 +/- 4.02   0.206% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  15.99 +/- 4.27   0.663% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.50 +/- 2.00   0.244% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  27.31 +/- 4.18   0.110% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  26.33 +/- 2.95   0.121% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.15, residual support = 70.6:
      O   HB2   TRP   87 - HN    TRP   87   3.71 +/- 0.07  96.588% * 99.8429% (0.73  10.0   4.15  70.62) =  99.998%  kept
          HB    THR   46 - HN    TRP   87  13.95 +/- 1.54   2.226% *  0.0469% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PHE   60 - HN    TRP   87  19.56 +/- 2.59   0.815% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  24.77 +/- 2.91   0.371% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.96, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.78 +/- 0.39  94.947% * 97.4957% (0.80   3.96  22.68) =  99.981%  kept
          QE    LYS+  65 - HN    TRP   87  18.59 +/- 4.59   0.892% *  0.5932% (0.97   0.02   0.02) =   0.006%
          HB2   ASN   28 - HN    TRP   87  19.10 +/- 6.23   0.697% *  0.6147% (1.00   0.02   0.02) =   0.005%
          HB2   ASP-  78 - HN    TRP   87  13.24 +/- 1.56   1.265% *  0.3234% (0.53   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    TRP   87  22.30 +/- 4.50   0.292% *  0.6025% (0.98   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  12.03 +/- 1.90   1.680% *  0.0948% (0.15   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    TRP   87  25.08 +/- 5.79   0.228% *  0.2756% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.01, residual support = 70.6:
      O   HB3   TRP   87 - HN    TRP   87   2.82 +/- 0.20  99.109% * 99.8532% (1.00  10.0   4.01  70.62) =  99.999%  kept
          HG3   GLN  116 - HN    TRP   87  22.47 +/- 3.51   0.431% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    TRP   87  20.55 +/- 6.00   0.460% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.94:
          QB    ALA   88 - HN    TRP   87   4.38 +/- 0.12  83.994% * 96.6477% (0.53   2.22   4.96) =  99.775%  kept
          QG2   THR   77 - HN    TRP   87   9.64 +/- 1.92  10.202% *  1.4865% (0.90   0.02   0.02) =   0.186%  kept
          QG2   THR   23 - HN    TRP   87  16.54 +/- 3.95   2.280% *  0.8721% (0.53   0.02   0.02) =   0.024%
          QB    ALA   34 - HN    TRP   87  17.34 +/- 3.90   2.052% *  0.3690% (0.22   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    TRP   87  21.04 +/- 4.31   0.958% *  0.2557% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    TRP   87  25.95 +/- 4.62   0.514% *  0.3690% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.53 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 = 0.832, support = 1.91, residual support = 17.9:
          QD1   ILE   89 - HN    TRP   87   4.46 +/- 0.94  43.757% * 69.8909% (0.76   2.46  18.68) =  66.093%  kept
          QG2   VAL   83 - HN    TRP   87   4.08 +/- 0.43  53.180% * 29.4654% (0.97   0.82  16.54) =  33.864%  kept
          QD2   LEU   31 - HN    TRP   87  14.33 +/- 5.03   3.063% *  0.6437% (0.87   0.02   1.71) =   0.043%
    Distance limit 4.30 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 = 0.558, support = 1.2, residual support = 17.4:
          QG2   VAL   83 - HE1   TRP   87   2.41 +/- 0.65  78.934% * 28.9403% (0.45   1.00  16.54) =  60.412%  kept
          QD1   ILE   89 - HE1   TRP   87   5.17 +/- 1.17  21.066% * 71.0597% (0.73   1.51  18.68) =  39.588%  kept
    Distance limit 4.68 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   3.06 +/- 0.26  67.304% * 82.6651% (0.76   3.33  13.43) =  96.144%  kept
          HA    ALA   88 - HN    ASP-  86   5.16 +/- 0.47  15.831% * 12.7544% (0.69   0.57   0.02) =   3.489%  kept
          HB2   SER   82 - HN    ASP-  86   5.84 +/- 0.74  11.898% *  1.6820% (0.15   0.34   0.02) =   0.346%  kept
          HA    SER   48 - HN    ASP-  86  17.72 +/- 3.85   0.747% *  0.2914% (0.45   0.02   0.02) =   0.004%
          HB    THR   94 - HN    ASP-  86  11.05 +/- 1.79   1.833% *  0.1003% (0.15   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    ASP-  86  20.78 +/- 3.92   0.337% *  0.5430% (0.84   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    ASP-  86  20.08 +/- 2.86   0.302% *  0.5830% (0.90   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    ASP-  86  23.30 +/- 6.84   0.361% *  0.4721% (0.73   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ASP-  86  16.11 +/- 3.76   1.019% *  0.1447% (0.22   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    ASP-  86  27.65 +/- 6.81   0.250% *  0.4968% (0.76   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ASP-  86  26.35 +/- 2.72   0.118% *  0.2673% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.91 +/- 0.18  98.212% * 95.3192% (0.61   2.25  10.80) =  99.982%  kept
          HB2   CYS   53 - HN    ASP-  86  19.67 +/- 2.83   0.466% *  1.3481% (0.97   0.02   0.02) =   0.007%
          HA    GLN   30 - HN    ASP-  86  21.96 +/- 5.72   0.391% *  0.8473% (0.61   0.02   0.02) =   0.004%
          HD2   PRO   58 - HN    ASP-  86  23.38 +/- 2.74   0.270% *  0.9596% (0.69   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ASP-  86  21.92 +/- 4.27   0.326% *  0.7909% (0.57   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    ASP-  86  21.03 +/- 2.97   0.335% *  0.7350% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.02, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.69 +/- 0.40  95.602% * 99.6258% (0.98  10.0   5.02  42.50) =  99.997%  kept
          QE    LYS+  65 - HN    ASP-  86  19.13 +/- 4.68   1.116% *  0.0996% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    ASP-  86  19.02 +/- 7.35   1.077% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASP-  86  12.48 +/- 1.72   1.671% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  22.90 +/- 5.06   0.307% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  25.99 +/- 6.15   0.226% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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   2.51 +/- 0.50  97.860% * 99.2823% (0.41  10.0   3.55  42.50) =  99.996%  kept
          HG3   MET   96 - HN    ASP-  86  12.61 +/- 3.74   1.314% *  0.2394% (0.99   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    ASP-  86  21.24 +/- 3.11   0.284% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    ASP-  86  22.36 +/- 6.89   0.415% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  28.61 +/- 5.60   0.127% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.23 +/- 0.12  83.063% * 97.8593% (0.76  10.0   3.15  18.03) =  99.882%  kept
          HB2   SER   82 - HN    SER   85   5.56 +/- 0.35   5.892% *  1.4818% (0.15   1.0   1.50   2.90) =   0.107%  kept
          HA    ALA   88 - HN    SER   85   5.10 +/- 0.82   8.183% *  0.0880% (0.69   1.0   0.02   0.02) =   0.009%
          HA    SER   48 - HN    SER   85  16.65 +/- 4.28   0.538% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  19.17 +/- 3.43   0.206% *  0.1148% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  15.03 +/- 4.24   0.784% *  0.0285% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  10.97 +/- 1.79   0.904% *  0.0198% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  20.81 +/- 4.15   0.167% *  0.1070% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  24.58 +/- 6.26   0.117% *  0.0930% (0.73   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  28.23 +/- 6.25   0.086% *  0.0979% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  26.54 +/- 2.81   0.059% *  0.0526% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.61 +/- 0.02  93.082% * 99.3529% (0.49  10.0   3.27  20.66) =  99.992%  kept
          HA    VAL   75 - HN    SER   85  12.57 +/- 1.72   2.610% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    SER   85  19.63 +/- 4.25   1.506% *  0.1402% (0.69   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    SER   85  16.97 +/- 3.90   1.611% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  22.90 +/- 3.00   0.445% *  0.1238% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  23.69 +/- 1.81   0.348% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    SER   85  23.66 +/- 2.78   0.398% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.61 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   2.66 +/- 0.12  89.719% * 96.0232% (1.00   3.98  20.66) =  99.968%  kept
          HB3   LEU   80 - HN    SER   85   7.08 +/- 0.84   5.549% *  0.2542% (0.53   0.02   0.02) =   0.016%
          HB3   PRO   93 - HN    SER   85  15.13 +/- 1.50   0.561% *  0.4832% (1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    SER   85  15.08 +/- 1.91   0.572% *  0.3693% (0.76   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    SER   85  17.84 +/- 3.63   0.380% *  0.4664% (0.97   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   85  16.55 +/- 3.40   0.555% *  0.2931% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    SER   85  20.90 +/- 6.48   0.417% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    SER   85  16.86 +/- 2.23   0.407% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  20.86 +/- 2.12   0.203% *  0.3126% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  21.21 +/- 4.74   0.271% *  0.1987% (0.41   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  21.87 +/- 3.77   0.227% *  0.2352% (0.49   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    SER   85  21.04 +/- 4.67   0.316% *  0.1492% (0.31   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    SER   85  27.25 +/- 3.17   0.102% *  0.4334% (0.90   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    SER   85  20.24 +/- 3.25   0.281% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  19.09 +/- 2.35   0.278% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  24.79 +/- 5.09   0.162% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.84, residual support = 17.7:
      O   HA    ALA   84 - HN    ALA   84   2.75 +/- 0.04  95.146% * 99.3529% (0.49  10.0   3.84  17.73) =  99.995%  kept
          HA    VAL   75 - HN    ALA   84  10.23 +/- 1.96   2.572% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA   84  18.30 +/- 4.13   0.719% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA   84  16.62 +/- 3.56   0.857% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    ALA   84  21.74 +/- 2.83   0.257% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.20 +/- 1.65   0.192% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.94 +/- 3.17   0.257% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.33, residual support = 40.8:
          HB    VAL   83 - HN    ALA   84   3.30 +/- 0.29  88.004% * 97.8498% (0.99   5.33  40.81) =  99.976%  kept
          QD    LYS+  65 - HN    ALA   84  16.87 +/- 4.63   2.177% *  0.3574% (0.97   0.02   0.02) =   0.009%
          HG3   PRO   93 - HN    ALA   84  14.61 +/- 1.88   1.447% *  0.1948% (0.53   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    ALA   84  12.70 +/- 2.09   3.335% *  0.0649% (0.18   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HN    ALA   84  14.63 +/- 2.33   1.413% *  0.1522% (0.41   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    ALA   84  19.65 +/- 3.89   0.696% *  0.2689% (0.73   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HN    ALA   84  23.35 +/- 2.87   0.311% *  0.3503% (0.95   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    ALA   84  24.77 +/- 3.28   0.261% *  0.3670% (0.99   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  17.76 +/- 3.83   0.989% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  20.29 +/- 4.27   0.626% *  0.0923% (0.25   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    ALA   84  26.67 +/- 3.36   0.216% *  0.1803% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  20.76 +/- 4.10   0.524% *  0.0571% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.15, residual support = 17.7:
      O   QB    ALA   84 - HN    ALA   84   2.03 +/- 0.07  85.386% * 98.7027% (0.87  10.0   4.15  17.73) =  99.945%  kept
          HB3   LEU   80 - HN    ALA   84   4.55 +/- 0.90  11.776% *  0.3751% (0.28   1.0   0.24   0.02) =   0.052%
          HB3   PRO   93 - HN    ALA   84  13.87 +/- 1.78   0.376% *  0.1020% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  15.96 +/- 3.42   0.306% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.20 +/- 2.23   0.488% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  14.78 +/- 2.44   0.282% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  16.83 +/- 3.42   0.197% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  18.81 +/- 4.31   0.230% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  20.81 +/- 4.10   0.130% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  17.41 +/- 2.32   0.155% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  20.98 +/- 4.41   0.126% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  18.91 +/- 2.24   0.123% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  23.05 +/- 5.05   0.087% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  26.02 +/- 3.26   0.059% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  19.47 +/- 6.20   0.216% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  26.45 +/- 5.34   0.064% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.693, support = 5.72, residual support = 39.8:
          QG1   VAL   83 - HN    ALA   84   4.08 +/- 0.50  63.429% * 93.3443% (0.69   5.86  40.81) =  97.448%  kept
          QD2   LEU   80 - HN    ALA   84   5.63 +/- 0.84  29.352% *  5.2021% (0.95   0.24   0.02) =   2.513%  kept
          QD1   LEU   73 - HN    ALA   84  12.24 +/- 2.65   3.653% *  0.2813% (0.61   0.02   0.02) =   0.017%
          QD2   LEU  115 - HN    ALA   84  16.56 +/- 1.72   1.107% *  0.4281% (0.92   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    ALA   84  17.70 +/- 2.72   0.956% *  0.4628% (1.00   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    ALA   84  16.34 +/- 2.88   1.504% *  0.2813% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.14, residual support = 40.0:
          QG2   VAL   83 - HN    ALA   84   2.93 +/- 0.64  75.118% * 88.1783% (0.76   6.28  40.81) =  97.193%  kept
          QD1   ILE   89 - HN    ALA   84   5.99 +/- 1.36  16.704% * 11.3734% (0.49   1.27  12.93) =   2.788%  kept
          QD2   LEU   31 - HN    ALA   84  14.34 +/- 5.03   2.240% *  0.3666% (1.00   0.02   0.02) =   0.012%
          QG2   VAL   43 - HN    ALA   84   9.12 +/- 2.46   5.938% *  0.0818% (0.22   0.02   0.02) =   0.007%
    Distance limit 3.95 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 = 0.755, support = 4.09, residual support = 19.2:
          HB2   SER   82 - HN    VAL   83   3.22 +/- 0.36  88.822% * 97.0055% (0.75   4.09  19.18) =  99.958%  kept
          HA    ALA   88 - HN    VAL   83   9.00 +/- 0.67   4.829% *  0.2684% (0.43   0.02   0.02) =   0.015%
          HA    SER   48 - HN    VAL   83  16.09 +/- 4.85   2.238% *  0.3797% (0.60   0.02   0.02) =   0.010%
          HA    GLU-  29 - HN    VAL   83  20.46 +/- 7.45   1.045% *  0.4648% (0.74   0.02   0.02) =   0.006%
          HA    VAL   18 - HN    VAL   83  20.11 +/- 6.17   0.659% *  0.4700% (0.75   0.02   0.02) =   0.004%
          HA    LYS+  33 - HN    VAL   83  24.30 +/- 6.12   0.400% *  0.4252% (0.68   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  22.55 +/- 6.92   0.640% *  0.2495% (0.40   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    VAL   83  22.03 +/- 3.17   0.381% *  0.2876% (0.46   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   83  23.12 +/- 2.98   0.363% *  0.2876% (0.46   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    VAL   83  19.37 +/- 3.24   0.626% *  0.1617% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 85.5:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.03  97.908% * 99.4506% (0.46  10.0   4.70  85.49) =  99.998%  kept
          HB2   CYS   53 - HN    VAL   83  18.62 +/- 3.59   0.620% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  20.24 +/- 6.48   0.554% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    VAL   83  22.51 +/- 3.67   0.333% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  20.42 +/- 3.20   0.318% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  22.39 +/- 3.97   0.266% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 85.5:
      O   HB    VAL   83 - HN    VAL   83   2.18 +/- 0.34  96.683% * 99.4176% (0.75  10.0   4.77  85.49) =  99.998%  kept
          QD    LYS+  65 - HN    VAL   83  17.13 +/- 4.14   0.534% *  0.0968% (0.73   1.0   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    VAL   83  14.80 +/- 2.37   0.516% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.48 +/- 2.01   0.333% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  20.01 +/- 4.24   0.216% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  14.73 +/- 2.19   0.738% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  24.30 +/- 3.29   0.126% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  24.64 +/- 3.94   0.090% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  22.05 +/- 4.78   0.211% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  18.58 +/- 4.28   0.292% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  27.67 +/- 4.04   0.084% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  22.52 +/- 4.66   0.178% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.343, support = 0.02, residual support = 0.0727:
          HB2   LEU   80 - HN    VAL   83   3.44 +/- 0.86  81.432% *  2.8578% (0.19   0.02   0.11) =  61.089%  kept
          QB    LEU   98 - HN    VAL   83  15.00 +/- 3.56   3.543% *  7.8727% (0.52   0.02   0.02) =   7.322%  kept
          HB3   LEU   73 - HN    VAL   83  14.61 +/- 3.26   2.766% *  9.9416% (0.65   0.02   0.02) =   7.218%  kept
          HG3   LYS+  65 - HN    VAL   83  19.17 +/- 3.77   1.545% * 10.5799% (0.70   0.02   0.02) =   4.291%  kept
          HB    VAL   42 - HN    VAL   83  17.95 +/- 2.92   1.299% * 10.5799% (0.70   0.02   0.02) =   3.609%  kept
          HG3   LYS+ 102 - HN    VAL   83  21.36 +/- 4.86   1.348% *  9.5730% (0.63   0.02   0.02) =   3.386%  kept
          HB3   LYS+  74 - HN    VAL   83  14.02 +/- 2.29   2.513% *  4.7118% (0.31   0.02   0.02) =   3.108%  kept
          HG3   LYS+ 106 - HN    VAL   83  17.23 +/- 3.66   1.364% *  7.4142% (0.49   0.02   0.02) =   2.655%  kept
          HG3   LYS+  33 - HN    VAL   83  22.40 +/- 6.14   0.819% * 11.0607% (0.73   0.02   0.02) =   2.378%  kept
          HB2   LYS+ 112 - HN    VAL   83  22.38 +/- 4.66   0.980% *  8.7588% (0.58   0.02   0.02) =   2.253%  kept
          QB    ALA   12 - HN    VAL   83  25.83 +/- 5.96   0.576% * 10.5799% (0.70   0.02   0.02) =   1.600%  kept
          HB3   PRO   93 - HN    VAL   83  15.63 +/- 2.07   1.443% *  1.7684% (0.12   0.02   0.02) =   0.670%  kept
          HD3   LYS+ 121 - HN    VAL   83  24.81 +/- 3.94   0.372% *  4.3014% (0.28   0.02   0.02) =   0.420%  kept
    Distance limit 3.86 A violated in 1 structures by 0.19 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.728, support = 5.16, residual support = 81.6:
          QG1   VAL   83 - HN    VAL   83   2.84 +/- 0.51  69.065% * 86.5997% (0.75   5.33  85.49) =  95.448%  kept
          QD2   LEU   80 - HN    VAL   83   4.52 +/- 0.69  24.221% * 11.3401% (0.31   1.68   0.11) =   4.383%  kept
          QG2   ILE   89 - HN    VAL   83   7.00 +/- 0.75   6.054% *  1.7253% (0.46   0.17   0.02) =   0.167%  kept
          QD1   LEU  104 - HN    VAL   83  18.22 +/- 2.98   0.328% *  0.2120% (0.49   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   83  17.67 +/- 1.99   0.332% *  0.1230% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.19, residual support = 84.8:
          QG2   VAL   83 - HN    VAL   83   3.25 +/- 0.45  84.587% * 93.8897% (0.74   5.23  85.49) =  99.229%  kept
          QD1   ILE   89 - HN    VAL   83   7.58 +/- 1.30  10.281% *  5.8881% (0.73   0.33   0.02) =   0.756%  kept
          QD2   LEU   31 - HN    VAL   83  13.79 +/- 5.78   5.132% *  0.2221% (0.46   0.02   0.02) =   0.014%
    Distance limit 4.08 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 = 4.0, residual support = 33.3:
      O   HB2   SER   82 - HN    SER   82   2.75 +/- 0.62  93.084% * 99.3063% (0.87  10.0   4.00  33.27) =  99.996%  kept
          HA    ALA   88 - HN    SER   82  10.01 +/- 0.93   2.846% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  21.95 +/- 7.70   0.759% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   82  16.21 +/- 5.32   1.113% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  21.51 +/- 6.08   0.413% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  25.93 +/- 6.12   0.282% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  23.74 +/- 2.56   0.231% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  24.49 +/- 3.10   0.186% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  24.35 +/- 6.89   0.441% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  19.70 +/- 3.78   0.469% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.80 +/- 3.60   0.177% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.4, residual support = 33.3:
      O   HB3   SER   82 - HN    SER   82   2.64 +/- 0.47  97.075% * 99.2682% (0.69  10.0   3.40  33.27) =  99.997%  kept
          HA    ILE   89 - HN    SER   82  11.36 +/- 0.91   1.484% *  0.1445% (1.00   1.0   0.02   0.02) =   0.002%
          HB    THR  118 - HN    SER   82  22.86 +/- 2.80   0.340% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  27.20 +/- 5.20   0.145% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  25.14 +/- 3.18   0.138% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  27.32 +/- 4.16   0.115% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  20.67 +/- 3.77   0.355% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  21.75 +/- 6.58   0.347% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.54, residual support = 13.2:
          QB    LYS+  81 - HN    SER   82   3.32 +/- 0.33  88.144% * 96.3432% (0.97   4.54  13.18) =  99.954%  kept
          HB3   GLN   90 - HN    SER   82  11.29 +/- 2.95   4.093% *  0.4061% (0.92   0.02   0.02) =   0.020%
          QB    LYS+ 106 - HN    SER   82  16.34 +/- 2.92   1.519% *  0.4312% (0.98   0.02   0.02) =   0.008%
          HB    ILE  103 - HN    SER   82  19.97 +/- 4.20   0.828% *  0.3022% (0.69   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    SER   82  19.40 +/- 6.45   1.031% *  0.2314% (0.53   0.02   0.02) =   0.003%
          HB2   MET   92 - HN    SER   82  15.47 +/- 2.51   1.327% *  0.1651% (0.38   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    SER   82  22.17 +/- 4.12   0.649% *  0.3362% (0.76   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    SER   82  21.98 +/- 5.44   0.517% *  0.3816% (0.87   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  23.79 +/- 4.95   0.584% *  0.3194% (0.73   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    SER   82  23.12 +/- 3.27   0.337% *  0.3816% (0.87   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    SER   82  25.80 +/- 3.56   0.265% *  0.2846% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  28.55 +/- 3.71   0.166% *  0.3194% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  24.56 +/- 4.46   0.541% *  0.0979% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 3.86, residual support = 15.6:
          QG1   VAL   83 - HN    SER   82   4.91 +/- 0.57  39.712% * 81.6866% (0.95   4.47  19.18) =  80.867%  kept
          QD2   LEU   80 - HN    SER   82   4.74 +/- 0.62  44.115% * 17.3462% (0.69   1.31   0.33) =  19.076%  kept
          QG2   ILE   89 - HN    SER   82   8.15 +/- 1.07  10.457% *  0.1319% (0.34   0.02   0.02) =   0.034%
          QD1   LEU   73 - HN    SER   82  13.30 +/- 3.45   3.357% *  0.1193% (0.31   0.02   0.02) =   0.010%
          QD1   LEU  104 - HN    SER   82  20.05 +/- 2.86   0.655% *  0.3467% (0.90   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    SER   82  18.77 +/- 2.00   0.750% *  0.2501% (0.65   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    SER   82  18.12 +/- 3.16   0.955% *  0.1193% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.41 A violated in 0 structures by 0.07 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 105.2:
      O   QB    LYS+  81 - HN    LYS+  81   2.29 +/- 0.25  94.710% * 99.1460% (0.97  10.0   5.76 105.16) =  99.996%  kept
          HB3   GLN   90 - HN    LYS+  81  11.21 +/- 3.17   1.673% *  0.0948% (0.92   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    LYS+  81  16.48 +/- 2.88   0.917% *  0.1007% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LYS+  81  22.33 +/- 5.36   0.462% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  22.21 +/- 4.01   0.389% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.51 +/- 2.68   0.589% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  20.66 +/- 3.86   0.241% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  19.21 +/- 5.95   0.287% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.94 +/- 3.54   0.154% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  21.94 +/- 4.89   0.149% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  24.84 +/- 3.84   0.109% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  23.46 +/- 4.49   0.263% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.61 +/- 3.04   0.056% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.22, residual support = 105.2:
          QG    LYS+  81 - HN    LYS+  81   2.61 +/- 0.55  97.454% * 98.8377% (0.97   5.22 105.16) =  99.995%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.27 +/- 1.85   1.233% *  0.1338% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    LYS+  81  23.78 +/- 5.89   0.348% *  0.3709% (0.95   0.02   0.02) =   0.001%
          HG2   LYS+ 106 - HN    LYS+  81  19.75 +/- 3.39   0.347% *  0.3620% (0.92   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  21.93 +/- 3.59   0.260% *  0.1210% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  23.89 +/- 3.30   0.199% *  0.0873% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  25.76 +/- 3.90   0.159% *  0.0873% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.431, support = 5.75, residual support = 40.4:
          QD2   LEU   80 - HN    LYS+  81   4.21 +/- 0.68  39.818% * 77.5698% (0.53   5.90  40.43) =  74.539%  kept
          QD1   LEU   80 - HN    LYS+  81   3.86 +/- 1.21  51.414% * 20.4643% (0.15   5.31  40.43) =  25.392%  kept
          QD1   LEU   73 - HN    LYS+  81  13.02 +/- 3.20   3.370% *  0.4479% (0.90   0.02   0.02) =   0.036%
          QD1   LEU   63 - HN    LYS+  81  17.19 +/- 3.05   0.982% *  0.4479% (0.90   0.02   0.02) =   0.011%
          QD2   LEU   63 - HN    LYS+  81  16.93 +/- 2.33   0.878% *  0.4172% (0.84   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    LYS+  81  18.02 +/- 2.17   0.633% *  0.2828% (0.57   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LYS+  81  16.10 +/- 2.26   1.145% *  0.1389% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    LYS+  81  15.99 +/- 2.67   1.247% *  0.0771% (0.15   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LYS+  81  20.22 +/- 2.71   0.514% *  0.1542% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.569, support = 3.75, residual support = 15.0:
          HB2   ASP-  78 - HN    GLU-  79   3.10 +/- 0.57  40.176% * 74.2659% (0.60   4.64  20.82) =  68.299%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.74 +/- 0.75  55.253% * 25.0566% (0.51   1.84   2.61) =  31.691%  kept
          QE    LYS+  65 - HN    GLU-  79  12.57 +/- 4.43   2.930% *  0.0907% (0.17   0.02   0.02) =   0.006%
          HB2   ASP-  86 - HN    GLU-  79  11.45 +/- 1.36   1.080% *  0.0442% (0.08   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    GLU-  79  22.06 +/- 2.76   0.185% *  0.2369% (0.44   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    GLU-  79  17.83 +/- 4.00   0.238% *  0.1341% (0.25   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  20.23 +/- 3.01   0.138% *  0.1717% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.094, support = 4.3, residual support = 56.7:
      O   HB2   GLU-  79 - HN    GLU-  79   2.77 +/- 0.43  93.943% * 98.3341% (0.09  10.0   4.30  56.73) =  99.979%  kept
          HB2   PRO   58 - HN    GLU-  79  19.22 +/- 4.22   1.810% *  0.5103% (0.49   1.0   0.02   0.02) =   0.010%
          HB3   PHE   97 - HN    GLU-  79  18.88 +/- 3.19   1.828% *  0.2174% (0.21   1.0   0.02   0.02) =   0.004%
          HG2   PRO   52 - HN    GLU-  79  16.10 +/- 3.18   0.906% *  0.2857% (0.27   1.0   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    GLU-  79  18.22 +/- 4.41   0.438% *  0.4123% (0.39   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    GLU-  79  21.47 +/- 5.12   0.912% *  0.1419% (0.14   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLU-  79  25.16 +/- 2.05   0.161% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.14, residual support = 56.7:
      O   HB3   GLU-  79 - HN    GLU-  79   3.11 +/- 0.57  95.594% * 99.6469% (0.59  10.0   4.14  56.73) =  99.996%  kept
          HB2   GLN   90 - HN    GLU-  79  12.48 +/- 2.76   2.963% *  0.0789% (0.47   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLU-  79  20.77 +/- 3.92   0.453% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  20.11 +/- 4.04   0.503% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.13 +/- 1.94   0.286% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  26.52 +/- 1.64   0.201% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.10 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 3.95, residual support = 39.5:
      O   HB3   ASP-  78 - HN    ASP-  78   2.81 +/- 0.58  89.885% * 98.7739% (0.49  10.0   3.95  39.54) =  99.935%  kept
          QE    LYS+  74 - HN    ASP-  78   8.76 +/- 1.77   6.021% *  0.8538% (0.98   1.0   0.09   0.02) =   0.058%
          QB    CYS   50 - HN    ASP-  78  11.29 +/- 3.38   2.921% *  0.1958% (0.97   1.0   0.02   0.02) =   0.006%
          HB3   ASN   69 - HN    ASP-  78  21.24 +/- 2.80   0.391% *  0.1313% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  14.67 +/- 0.96   0.782% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.33, residual support = 35.5:
      O   HB2   ASP-  78 - HN    ASP-  78   2.68 +/- 0.51  58.780% * 81.7898% (0.98  10.0   5.35  39.54) =  88.403%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.69 +/- 0.90  34.957% * 18.0369% (0.84   1.0   5.18   4.71) =  11.594%  kept
          QE    LYS+  65 - HN    ASP-  78  11.71 +/- 4.72   3.788% *  0.0232% (0.28   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASP-  78  12.29 +/- 1.58   1.973% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  21.46 +/- 3.01   0.165% *  0.0606% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  18.87 +/- 3.31   0.200% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.80 +/- 2.50   0.136% *  0.0439% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.74, residual support = 28.4:
      O   HA    THR   77 - HN    ASP-  78   3.51 +/- 0.09  93.629% * 99.9219% (0.92  10.0   4.74  28.41) =  99.998%  kept
          HD2   PRO   93 - HN    ASP-  78  12.53 +/- 2.82   3.500% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  14.09 +/- 3.39   2.250% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  19.53 +/- 2.28   0.621% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 3.01, residual support = 4.71:
          HA    ASP-  76 - HN    ASP-  78   3.61 +/- 0.27  98.508% * 99.7121% (0.95   3.01   4.71) =  99.996%  kept
          HA    LEU   67 - HN    ASP-  78  16.71 +/- 2.79   1.492% *  0.2879% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.35 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 +/- 0.05  96.298% * 99.8846% (0.98  10.0   4.02  37.47) =  99.998%  kept
          HD2   PRO   93 - HN    THR   77  11.31 +/- 2.76   2.431% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    THR   77  13.37 +/- 2.90   1.271% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 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 = 0.94, support = 3.89, residual support = 15.3:
          HB2   ASP-  76 - HN    THR   77   4.05 +/- 0.40  60.299% * 63.3048% (1.00   4.15  11.01) =  75.389%  kept
          HB2   ASP-  78 - HN    THR   77   5.12 +/- 0.63  34.400% * 36.2098% (0.76   3.10  28.41) =  24.601%  kept
          HB2   ASN   69 - HN    THR   77  19.48 +/- 2.74   0.752% *  0.2951% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  66 - HN    THR   77  13.81 +/- 3.31   3.155% *  0.0605% (0.20   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    THR   77  19.60 +/- 2.22   0.585% *  0.0762% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    THR   77  18.23 +/- 2.84   0.809% *  0.0536% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.565, support = 3.62, residual support = 11.0:
          HB3   ASP-  76 - HN    THR   77   4.30 +/- 0.37  59.202% * 95.2530% (0.57   3.64  11.01) =  99.653%  kept
          HG3   MET   92 - HN    THR   77  12.05 +/- 3.65   7.729% *  0.9254% (1.00   0.02   0.02) =   0.126%  kept
          HB2   ASP- 105 - HN    THR   77  17.77 +/- 3.72   5.319% *  0.7410% (0.80   0.02   0.02) =   0.070%
          QG    GLN   90 - HN    THR   77  10.46 +/- 3.05   9.585% *  0.3157% (0.34   0.02   0.02) =   0.053%
          HG12  ILE  119 - HN    THR   77  16.16 +/- 3.52   3.210% *  0.6357% (0.69   0.02   0.02) =   0.036%
          HB2   ASP-  44 - HN    THR   77   8.49 +/- 1.29  10.610% *  0.1831% (0.20   0.02   0.02) =   0.034%
          HB2   GLU-  29 - HN    THR   77  19.84 +/- 2.77   0.716% *  0.9071% (0.98   0.02   0.02) =   0.011%
          HB3   PHE   72 - HN    THR   77  13.78 +/- 0.73   1.921% *  0.2573% (0.28   0.02   0.02) =   0.009%
          HG2   GLU- 100 - HN    THR   77  23.75 +/- 1.78   0.397% *  0.4504% (0.49   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    THR   77  20.90 +/- 4.28   0.650% *  0.2060% (0.22   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    THR   77  20.06 +/- 3.14   0.661% *  0.1252% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.04 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   2.35 +/- 0.43  88.293% * 96.0920% (0.61   4.02  37.47) =  99.954%  kept
          HB3   LEU   80 - HN    THR   77   7.60 +/- 1.61   4.504% *  0.3237% (0.41   0.02   0.59) =   0.017%
          QB    ALA   88 - HN    THR   77  12.40 +/- 1.58   0.846% *  0.7448% (0.95   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HN    THR   77  18.19 +/- 3.98   1.220% *  0.5094% (0.65   0.02   0.02) =   0.007%
          HB3   ASP-  44 - HN    THR   77   8.70 +/- 1.59   3.408% *  0.1753% (0.22   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    THR   77  12.37 +/- 2.88   1.234% *  0.2430% (0.31   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    THR   77  24.86 +/- 1.99   0.145% *  0.7599% (0.97   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    THR   77  18.67 +/- 2.59   0.222% *  0.4458% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    THR   77  22.30 +/- 1.66   0.128% *  0.7062% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.878, support = 1.08, residual support = 1.7:
          QB    ALA   47 - HN    THR   77   8.26 +/- 3.10  41.633% * 68.4179% (0.90   1.18   2.01) =  83.380%  kept
          QG1   VAL   42 - HN    THR   77  10.54 +/- 1.54  17.921% * 30.5140% (0.80   0.59   0.13) =  16.007%  kept
          QB    ALA   64 - HN    THR   77   9.65 +/- 1.14  27.176% *  0.4867% (0.38   0.02   0.02) =   0.387%  kept
          HG2   LYS+ 112 - HN    THR   77  16.83 +/- 5.19  13.270% *  0.5814% (0.45   0.02   0.02) =   0.226%  kept
    Distance limit 4.37 A violated in 13 structures by 2.31 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 82.9:
      O   HA    VAL   75 - HN    VAL   75   2.91 +/- 0.02  88.208% * 99.8428% (0.97  10.0   5.24  82.86) =  99.995%  kept
          HA    ALA   61 - HN    VAL   75   8.11 +/- 2.36   7.341% *  0.0353% (0.34   1.0   0.02   0.02) =   0.003%
          HD3   PRO   58 - HN    VAL   75  14.76 +/- 2.75   0.922% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  11.93 +/- 2.66   3.530% *  0.0205% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.853, support = 0.944, residual support = 1.26:
          HB2   ASP-  44 - HN    VAL   75   4.73 +/- 0.80  62.439% * 59.2350% (0.87   0.99   0.93) =  87.370%  kept
          HB3   PHE   72 - HN    VAL   75   8.07 +/- 0.53  14.644% * 35.1545% (0.76   0.67   3.65) =  12.161%  kept
          QG    GLU-  14 - HN    VAL   75  16.31 +/- 4.30   6.630% *  1.1553% (0.84   0.02   0.02) =   0.181%  kept
          QG    GLN   90 - HN    VAL   75  13.71 +/- 2.29   5.038% *  0.9501% (0.69   0.02   0.02) =   0.113%  kept
          QG    GLU-  15 - HN    VAL   75  15.25 +/- 3.23   2.517% *  1.3084% (0.95   0.02   0.02) =   0.078%
          QB    MET   11 - HN    VAL   75  21.75 +/- 4.25   1.298% *  1.2405% (0.90   0.02   0.02) =   0.038%
          HG12  ILE  119 - HN    VAL   75  14.54 +/- 2.67   3.118% *  0.4718% (0.34   0.02   0.02) =   0.035%
          HG2   MET   92 - HN    VAL   75  14.27 +/- 2.45   3.458% *  0.2422% (0.18   0.02   0.02) =   0.020%
          HG3   GLU-  36 - HN    VAL   75  21.18 +/- 1.73   0.857% *  0.2422% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.58 A violated in 0 structures by 0.34 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.335, support = 3.75, residual support = 24.6:
          HB3   LYS+  74 - HN    VAL   75   4.28 +/- 0.30  36.139% * 39.7776% (0.20   4.49  32.05) =  75.708%  kept
          HG    LEU   73 - HN    VAL   75   7.38 +/- 0.74   8.006% * 53.6542% (0.76   1.57   1.63) =  22.623%  kept
          QB    ALA   61 - HN    VAL   75   7.65 +/- 1.86  10.568% *  0.8780% (0.98   0.02   0.02) =   0.489%  kept
          HG    LEU   80 - HN    VAL   75  10.36 +/- 3.57   6.780% *  0.7770% (0.87   0.02   0.32) =   0.277%  kept
          HB3   LEU   67 - HN    VAL   75   9.38 +/- 2.00   5.197% *  0.8938% (1.00   0.02   0.02) =   0.245%  kept
          QG    LYS+  66 - HN    VAL   75   9.89 +/- 2.25   4.584% *  0.8269% (0.92   0.02   0.02) =   0.200%  kept
          HG    LEU   67 - HN    VAL   75   9.25 +/- 2.80  13.190% *  0.1773% (0.20   0.02   0.02) =   0.123%  kept
          HG12  ILE   19 - HN    VAL   75  11.14 +/- 3.28   3.270% *  0.6846% (0.76   0.02   0.02) =   0.118%  kept
          HB2   LEU   80 - HN    VAL   75  10.39 +/- 2.83   5.070% *  0.3055% (0.34   0.02   0.32) =   0.082%
          QB    ALA  110 - HN    VAL   75  13.94 +/- 2.02   1.434% *  0.7482% (0.84   0.02   0.02) =   0.057%
          HB3   LEU  115 - HN    VAL   75  14.31 +/- 2.72   2.307% *  0.2491% (0.28   0.02   0.02) =   0.030%
          HG    LEU   40 - HN    VAL   75  11.71 +/- 1.37   2.070% *  0.2491% (0.28   0.02   0.02) =   0.027%
          HG2   LYS+ 102 - HN    VAL   75  20.59 +/- 2.38   0.387% *  0.5795% (0.65   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HN    VAL   75  17.97 +/- 4.20   0.999% *  0.1994% (0.22   0.02   0.02) =   0.010%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.88, residual support = 32.0:
          HG2   LYS+  74 - HN    VAL   75   3.43 +/- 0.72  75.521% * 95.3850% (0.45   5.89  32.05) =  99.840%  kept
          QG2   ILE   56 - HN    VAL   75  12.18 +/- 1.95   3.703% *  0.6264% (0.87   0.02   0.02) =   0.032%
          HG13  ILE   19 - HN    VAL   75  11.20 +/- 3.11   4.351% *  0.4961% (0.69   0.02   0.02) =   0.030%
          QG2   THR   39 - HN    VAL   75  12.38 +/- 1.44   2.393% *  0.6969% (0.97   0.02   0.02) =   0.023%
          QB    ALA   34 - HN    VAL   75  11.53 +/- 1.25   2.953% *  0.4961% (0.69   0.02   0.02) =   0.020%
          QG2   THR   23 - HN    VAL   75  11.16 +/- 1.96   5.786% *  0.2463% (0.34   0.02   0.02) =   0.020%
          QB    ALA   91 - HN    VAL   75  13.07 +/- 1.24   1.701% *  0.6969% (0.97   0.02   0.02) =   0.016%
          HG    LEU   71 - HN    VAL   75  12.36 +/- 1.33   2.370% *  0.2969% (0.41   0.02   0.02) =   0.010%
          HG3   LYS+  38 - HN    VAL   75  20.25 +/- 1.12   0.500% *  0.7079% (0.98   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    VAL   75  18.39 +/- 1.82   0.721% *  0.3515% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.933, support = 4.51, residual support = 81.4:
      O   HB    VAL   75 - HN    VAL   75   2.41 +/- 0.38  69.734% * 85.6324% (0.95  10.0   4.46  82.86) =  97.102%  kept
          HG3   LYS+  74 - HN    VAL   75   4.69 +/- 0.63  12.509% * 14.1552% (0.49   1.0   6.43  32.05) =   2.879%  kept
          QD1   LEU   67 - HN    VAL   75   6.81 +/- 2.12  14.815% *  0.0657% (0.73   1.0   0.02   0.02) =   0.016%
          QD2   LEU   40 - HN    VAL   75  10.56 +/- 1.66   1.390% *  0.0692% (0.76   1.0   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    VAL   75  12.96 +/- 1.72   0.612% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.05 +/- 2.32   0.941% *  0.0226% (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 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.521, support = 1.56, residual support = 1.34:
          QD2   LEU   73 - HN    VAL   75   5.40 +/- 1.44  27.614% * 63.0299% (0.41   2.05   1.63) =  73.794%  kept
          QG1   VAL   43 - HN    VAL   75   6.34 +/- 0.95  16.991% * 16.6157% (0.97   0.23   0.02) =  11.970%  kept
          QG2   THR   46 - HN    VAL   75   6.15 +/- 0.97  17.758% * 12.1908% (0.69   0.24   1.51) =   9.179%  kept
          QG2   VAL   18 - HN    VAL   75   7.12 +/- 4.02  23.216% *  4.6831% (0.80   0.08   0.02) =   4.610%  kept
          QG1   VAL   41 - HN    VAL   75  10.19 +/- 1.33   3.468% *  1.4933% (1.00   0.02   0.02) =   0.220%  kept
          QD1   ILE   19 - HN    VAL   75  10.16 +/- 2.22   4.037% *  0.5105% (0.34   0.02   0.02) =   0.087%
          HG    LEU   31 - HN    VAL   75  12.14 +/- 2.28   2.175% *  0.8473% (0.57   0.02   0.02) =   0.078%
          QD1   ILE   56 - HN    VAL   75  12.05 +/- 1.94   2.821% *  0.2962% (0.20   0.02   0.02) =   0.035%
          QD2   LEU  104 - HN    VAL   75  13.90 +/- 1.79   1.920% *  0.3332% (0.22   0.02   0.02) =   0.027%
    Distance limit 4.45 A violated in 0 structures by 0.12 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.24, residual support = 82.8:
          QG1   VAL   75 - HN    VAL   75   3.51 +/- 0.28  93.237% * 99.6851% (0.92   5.24  82.86) =  99.977%  kept
          QD1   LEU  115 - HN    VAL   75  11.65 +/- 2.41   6.763% *  0.3149% (0.76   0.02   0.02) =   0.023%
    Distance limit 4.49 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 = 4.91, residual support = 81.0:
          QG2   VAL   75 - HN    VAL   75   2.99 +/- 0.47  80.771% * 89.3569% (0.49   5.00  82.86) =  97.784%  kept
          QG2   VAL   42 - HN    VAL   75   8.01 +/- 1.53  15.576% * 10.4600% (0.34   0.84   0.02) =   2.207%  kept
          QD1   ILE   89 - HN    VAL   75   9.22 +/- 1.96   3.652% *  0.1830% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.686, support = 4.36, residual support = 180.9:
      O   HB3   LYS+  74 - HN    LYS+  74   2.61 +/- 0.48  44.350% * 90.3302% (0.71  10.0   4.34 186.53) =  96.249%  kept
          HB3   LEU   73 - HN    LYS+  74   3.17 +/- 1.02  35.205% *  3.7966% (0.11   1.0   5.44  41.39) =   3.211%  kept
          HG12  ILE   19 - HN    LYS+  74   7.95 +/- 3.83   4.084% *  5.3659% (0.43   1.0   1.95   8.27) =   0.527%  kept
          HB    VAL   42 - HN    LYS+  74   8.68 +/- 1.94   5.560% *  0.0179% (0.14   1.0   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    LYS+  74  11.51 +/- 1.75   1.026% *  0.0785% (0.61   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    LYS+  74   8.56 +/- 1.95   2.348% *  0.0279% (0.22   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LYS+  74  11.91 +/- 2.99   0.735% *  0.0874% (0.68   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LYS+  74  11.48 +/- 4.01   1.215% *  0.0441% (0.34   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  19.16 +/- 5.24   0.542% *  0.0905% (0.71   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+  74  10.16 +/- 2.00   1.901% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LYS+  74  16.25 +/- 2.28   0.596% *  0.0476% (0.37   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74   9.83 +/- 2.00   1.533% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  16.56 +/- 4.15   0.353% *  0.0549% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.46 +/- 2.34   0.552% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.9, residual support = 41.4:
          QD2   LEU   73 - HN    LYS+  74   3.76 +/- 0.39  88.896% * 97.3205% (0.20   5.90  41.39) =  99.933%  kept
          QD1   ILE   56 - HN    LYS+  74  14.10 +/- 2.37   3.035% *  0.6242% (0.37   0.02   0.02) =   0.022%
          HG3   LYS+ 121 - HN    LYS+  74  20.17 +/- 4.89   1.588% *  1.1759% (0.70   0.02   0.02) =   0.022%
          HG    LEU   31 - HN    LYS+  74  10.34 +/- 1.71   4.967% *  0.2078% (0.12   0.02   0.02) =   0.012%
          QD2   LEU  123 - HN    LYS+  74  18.30 +/- 3.28   1.514% *  0.6717% (0.40   0.02   0.02) =   0.012%
    Distance limit 3.85 A violated in 0 structures by 0.13 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.64, residual support = 41.4:
          HB2   LEU   73 - HN    LYS+  74   3.35 +/- 0.65  88.169% * 97.9379% (0.64   5.64  41.39) =  99.968%  kept
          QD    LYS+  99 - HN    LYS+  74  15.51 +/- 2.26   1.726% *  0.3861% (0.71   0.02   0.02) =   0.008%
          QD    LYS+ 106 - HN    LYS+  74  15.28 +/- 1.94   1.421% *  0.3835% (0.70   0.02   0.02) =   0.006%
          QG1   ILE   56 - HN    LYS+  74  14.17 +/- 2.27   1.747% *  0.2191% (0.40   0.02   0.02) =   0.004%
          HB3   MET   92 - HN    LYS+  74  16.20 +/- 1.83   1.152% *  0.2957% (0.54   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    LYS+  74  16.70 +/- 2.15   1.301% *  0.1735% (0.32   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    LYS+  74  15.98 +/- 2.17   1.401% *  0.1320% (0.24   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    LYS+  74  22.48 +/- 4.25   0.707% *  0.2503% (0.46   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    LYS+  74  18.91 +/- 3.23   1.812% *  0.0766% (0.14   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    LYS+  74  22.09 +/- 3.62   0.563% *  0.1452% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.561, support = 0.02, residual support = 0.0402:
          HB    VAL   41 - HN    LYS+  74   9.13 +/- 1.33  22.580% * 15.4986% (0.71   0.02   0.02) =  33.048%  kept
          QB    LYS+  66 - HN    LYS+  74  10.94 +/- 1.46  13.694% * 14.9905% (0.68   0.02   0.02) =  19.385%  kept
          QB    LYS+  65 - HN    LYS+  74   8.56 +/- 1.61  26.245% *  6.3858% (0.29   0.02   0.02) =  15.826%  kept
          HB2   LEU   71 - HN    LYS+  74  10.07 +/- 1.55  18.172% *  5.8297% (0.27   0.02   0.22) =  10.004%  kept
          HG12  ILE  103 - HN    LYS+  74  14.57 +/- 2.10   5.503% * 14.6936% (0.67   0.02   0.02) =   7.636%  kept
          HG2   PRO   93 - HN    LYS+  74  16.11 +/- 2.10   4.815% * 11.8708% (0.54   0.02   0.02) =   5.398%  kept
          HG    LEU  123 - HN    LYS+  74  21.04 +/- 3.74   3.103% * 11.2793% (0.51   0.02   0.02) =   3.305%  kept
          HB3   PRO   52 - HN    LYS+  74  19.23 +/- 2.69   2.913% * 11.2793% (0.51   0.02   0.02) =   3.103%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.59 +/- 2.22   2.975% *  8.1723% (0.37   0.02   0.02) =   2.296%  kept
    Distance limit 4.58 A violated in 17 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.772, support = 5.12, residual support = 40.7:
          HB3   PHE   72 - HN    LEU   73   3.59 +/- 0.48  72.531% * 70.6516% (0.76   5.39  43.62) =  92.408%  kept
          HB2   ASP-  44 - HN    LEU   73   7.03 +/- 1.69  14.948% * 27.9564% (0.87   1.88   5.03) =   7.536%  kept
          QG    GLU-  15 - HN    LEU   73  11.42 +/- 3.36   4.378% *  0.3246% (0.95   0.02   0.02) =   0.026%
          QG    GLU-  14 - HN    LEU   73  13.41 +/- 3.73   3.476% *  0.2866% (0.84   0.02   0.02) =   0.018%
          QB    MET   11 - HN    LEU   73  18.88 +/- 3.70   0.876% *  0.3078% (0.90   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    LEU   73  17.05 +/- 1.83   0.809% *  0.2357% (0.69   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    LEU   73  15.93 +/- 2.90   1.036% *  0.1171% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    LEU   73  15.48 +/- 1.47   1.167% *  0.0601% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  18.37 +/- 2.52   0.779% *  0.0601% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.54 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 = 6.19, residual support = 170.8:
      O   HB2   LEU   73 - HN    LEU   73   3.31 +/- 0.31  86.996% * 99.3783% (0.99  10.0   6.19 170.83) =  99.991%  kept
          QD    LYS+  99 - HN    LEU   73  12.33 +/- 2.41   2.512% *  0.0870% (0.87   1.0   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    LEU   73  13.62 +/- 1.54   1.488% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    LEU   73  17.06 +/- 1.94   0.758% *  0.0994% (0.99   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  16.42 +/- 2.62   1.510% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU   73  16.65 +/- 2.02   0.823% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  22.23 +/- 3.90   0.573% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  20.81 +/- 3.81   0.613% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          QG1   ILE   56 - HN    LEU   73  14.33 +/- 2.11   1.424% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.19 +/- 1.97   1.847% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  13.69 +/- 1.34   1.456% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.452, support = 6.09, residual support = 147.8:
      O   HB3   LEU   73 - HN    LEU   73   3.07 +/- 0.48  47.231% * 59.1247% (0.41  10.0   6.47 170.83) =  84.528%  kept
          HB3   LYS+  74 - HN    LEU   73   6.42 +/- 0.81   9.579% * 27.0527% (0.87   1.0   4.34  41.39) =   7.844%  kept
          HB    VAL   42 - HN    LEU   73   5.63 +/- 1.78  19.337% * 12.9452% (0.49   1.0   3.70   1.52) =   7.577%  kept
          HG12  ILE   19 - HN    LEU   73   7.34 +/- 3.20   9.002% *  0.0400% (0.28   1.0   0.02   4.96) =   0.011%
          QB    LEU   98 - HN    LEU   73   8.97 +/- 1.47   2.504% *  0.1435% (1.00   1.0   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    LEU   73  17.46 +/- 6.35   2.708% *  0.1201% (0.84   1.0   0.02   0.02) =   0.010%
          HG3   LYS+  33 - HN    LEU   73   9.99 +/- 2.42   3.140% *  0.0814% (0.57   1.0   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    LEU   73  14.03 +/- 3.73   1.226% *  0.0988% (0.69   1.0   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LEU   73  16.32 +/- 3.35   0.716% *  0.1328% (0.92   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   73  11.54 +/- 1.42   1.249% *  0.0700% (0.49   1.0   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    LEU   73  13.94 +/- 4.57   1.566% *  0.0285% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  14.10 +/- 1.82   0.653% *  0.0320% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  17.22 +/- 2.09   0.333% *  0.0540% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   73  19.60 +/- 4.13   0.317% *  0.0444% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  16.22 +/- 2.55   0.437% *  0.0320% (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 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 7.84, residual support = 165.8:
          QD2   LEU   73 - HN    LEU   73   1.86 +/- 0.24  73.177% * 81.7225% (0.98   7.97 170.83) =  96.916%  kept
          QG1   VAL   43 - HN    LEU   73   5.64 +/- 1.75  11.322% * 15.7372% (0.38   4.01   7.51) =   2.888%  kept
          QG1   VAL   41 - HN    LEU   73   5.72 +/- 1.43   5.372% *  1.9498% (0.57   0.33   0.02) =   0.170%  kept
          QG2   VAL   18 - HN    LEU   73   6.46 +/- 3.36   7.761% *  0.1619% (0.20   0.08   0.62) =   0.020%
          HG    LEU   31 - HN    LEU   73   7.85 +/- 2.19   1.602% *  0.2088% (1.00   0.02   2.12) =   0.005%
          QD1   ILE   56 - HN    LEU   73  14.36 +/- 1.98   0.229% *  0.1676% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   73  18.37 +/- 5.80   0.537% *  0.0522% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.58, support = 5.69, residual support = 148.0:
          QD1   LEU   73 - HN    LEU   73   3.45 +/- 0.67  44.987% * 67.7436% (0.57   6.42 170.83) =  86.658%  kept
          QG2   VAL   41 - HN    LEU   73   4.85 +/- 1.48  28.358% * 12.0628% (0.61   1.07   0.02) =   9.727%  kept
          QD2   LEU   63 - HN    LEU   73   8.45 +/- 1.64   6.508% * 12.4737% (1.00   0.67   0.02) =   2.308%  kept
          QD1   LEU   63 - HN    LEU   73   8.88 +/- 2.14   6.088% *  7.2376% (0.57   0.69   0.02) =   1.253%  kept
          QD1   LEU   80 - HN    LEU   73  12.02 +/- 4.63   5.242% *  0.1532% (0.41   0.02   0.02) =   0.023%
          QD2   LEU   98 - HN    LEU   73   8.02 +/- 1.33   4.623% *  0.1532% (0.41   0.02   0.02) =   0.020%
          QD2   LEU   80 - HN    LEU   73  11.46 +/- 3.82   3.336% *  0.0830% (0.22   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    LEU   73  13.73 +/- 1.91   0.858% *  0.0929% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.653, support = 2.48, residual support = 2.91:
          QB    ALA   64 - HN    LEU   73   5.05 +/- 0.69  49.333% * 72.1835% (0.73   2.76   3.41) =  73.876%  kept
          QG1   VAL   42 - HN    LEU   73   5.21 +/- 1.67  46.105% * 27.2819% (0.45   1.69   1.52) =  26.094%  kept
          QB    ALA   47 - HN    LEU   73  13.64 +/- 1.61   3.034% *  0.4083% (0.57   0.02   0.02) =   0.026%
          HG2   LYS+ 112 - HN    LEU   73  19.13 +/- 4.59   1.527% *  0.1263% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.274, support = 1.86, residual support = 7.28:
          QG2   VAL   43 - HN    LEU   73   5.36 +/- 1.02  47.149% * 91.7380% (0.25   1.94   7.51) =  96.216%  kept
          QD2   LEU   31 - HN    LEU   73   6.60 +/- 2.01  33.133% *  3.7995% (1.00   0.02   2.12) =   2.800%  kept
          QG2   VAL   83 - HN    LEU   73  10.98 +/- 2.92  10.066% *  2.7590% (0.73   0.02   0.02) =   0.618%  kept
          QD1   ILE   89 - HN    LEU   73  11.29 +/- 2.45   9.652% *  1.7035% (0.45   0.02   0.02) =   0.366%  kept
    Distance limit 4.58 A violated in 0 structures by 0.41 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 4.71, residual support = 85.4:
      O   HB2   PHE   72 - HN    PHE   72   3.60 +/- 0.35  63.260% * 79.5637% (0.53  10.0   4.96  90.32) =  88.752%  kept
          HA    ALA   64 - HN    PHE   72   5.14 +/- 1.07  31.288% * 20.3830% (0.97   1.0   2.79  46.55) =  11.246%  kept
          HB3   ASN   69 - HN    PHE   72   9.05 +/- 0.74   4.402% *  0.0233% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.40 +/- 1.27   1.049% *  0.0299% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.78 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 = 5.23, residual support = 90.3:
      O   HB3   PHE   72 - HN    PHE   72   3.15 +/- 0.30  81.564% * 99.3598% (0.76  10.0   5.23  90.32) =  99.976%  kept
          HB2   ASP-  44 - HN    PHE   72   8.45 +/- 1.54   7.846% *  0.1128% (0.87   1.0   0.02   0.02) =   0.011%
          QG    GLU-  15 - HN    PHE   72  10.20 +/- 3.86   4.560% *  0.1230% (0.95   1.0   0.02   0.02) =   0.007%
          QG    GLU-  14 - HN    PHE   72  12.29 +/- 3.84   2.485% *  0.1086% (0.84   1.0   0.02   0.02) =   0.003%
          QB    MET   11 - HN    PHE   72  17.98 +/- 3.40   0.609% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   72  16.05 +/- 3.00   1.226% *  0.0443% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  19.15 +/- 2.04   0.437% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.35 +/- 1.57   0.791% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.22 +/- 2.58   0.482% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.984, support = 3.81, residual support = 18.3:
          HG    LEU   71 - HN    PHE   72   5.05 +/- 0.54  34.950% * 89.6582% (0.99   3.96  19.10) =  95.896%  kept
          QG2   THR   39 - HN    PHE   72   6.37 +/- 1.16  18.937% *  3.4302% (0.65   0.23   0.02) =   1.988%  kept
          HG2   LYS+  74 - HN    PHE   72   8.29 +/- 1.36  10.847% *  5.1104% (1.00   0.22   1.35) =   1.696%  kept
          HG13  ILE   19 - HN    PHE   72   7.35 +/- 3.73  27.511% *  0.4321% (0.95   0.02   0.02) =   0.364%  kept
          HG3   LYS+  99 - HN    PHE   72  14.13 +/- 2.88   1.814% *  0.4568% (1.00   0.02   0.02) =   0.025%
          HG3   LYS+  38 - HN    PHE   72  13.77 +/- 1.43   1.782% *  0.1714% (0.38   0.02   0.02) =   0.009%
          QB    ALA   91 - HN    PHE   72  17.79 +/- 1.47   0.800% *  0.2955% (0.65   0.02   0.02) =   0.007%
          HG12  ILE   89 - HN    PHE   72  17.67 +/- 2.70   1.044% *  0.1878% (0.41   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    PHE   72  14.67 +/- 1.99   1.893% *  0.1017% (0.22   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    PHE   72  22.86 +/- 3.13   0.423% *  0.1558% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.25 A violated in 0 structures by 0.14 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.928, support = 5.01, residual support = 19.5:
          QD2   LEU   71 - HN    PHE   72   3.80 +/- 0.36  42.723% * 89.5702% (0.97   5.24  19.10) =  94.258%  kept
          QD1   LEU   67 - HN    PHE   72   4.85 +/- 1.44  29.597% *  7.3991% (0.31   1.35  27.86) =   5.394%  kept
          HG3   LYS+  74 - HN    PHE   72   8.71 +/- 1.42   5.347% *  2.0908% (0.53   0.22   1.35) =   0.275%  kept
          QD2   LEU   40 - HN    PHE   72   6.47 +/- 1.60  18.269% *  0.0985% (0.28   0.02   0.02) =   0.044%
          QG2   ILE  119 - HN    PHE   72  14.30 +/- 2.75   1.495% *  0.3421% (0.97   0.02   0.02) =   0.013%
          QD1   ILE  103 - HN    PHE   72  12.87 +/- 1.67   1.260% *  0.3536% (1.00   0.02   0.02) =   0.011%
          QG2   ILE  103 - HN    PHE   72  12.94 +/- 1.45   1.309% *  0.1457% (0.41   0.02   0.02) =   0.005%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.25, residual support = 34.0:
          HB    VAL   70 - HN    LEU   71   4.23 +/- 0.24  72.314% * 97.9986% (0.98   6.26  34.07) =  99.745%  kept
          QG    GLN   17 - HN    LEU   71   9.09 +/- 3.63  12.975% *  1.2627% (1.00   0.08   0.02) =   0.231%  kept
          HB2   MET   96 - HN    LEU   71  13.25 +/- 2.27   3.096% *  0.2065% (0.65   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    LEU   71  10.83 +/- 1.45   5.390% *  0.0888% (0.28   0.02   0.02) =   0.007%
          HG2   GLU- 100 - HN    LEU   71  13.11 +/- 4.00   3.795% *  0.0711% (0.22   0.02   0.02) =   0.004%
          HB2   GLU-  25 - HN    LEU   71  19.75 +/- 1.72   0.823% *  0.3165% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.50 +/- 1.72   1.607% *  0.0559% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.978, support = 6.34, residual support = 138.9:
      O   HB2   LEU   71 - HN    LEU   71   2.76 +/- 0.41  83.039% * 96.4094% (0.98  10.0   6.36 139.38) =  99.667%  kept
          HB    VAL   41 - HN    LEU   71   7.27 +/- 1.60   8.278% *  3.1610% (0.45   1.0   1.43   2.94) =   0.326%  kept
          HB3   GLN   17 - HN    LEU   71  10.02 +/- 3.75   3.575% *  0.0517% (0.53   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    LEU   71  10.43 +/- 0.97   1.795% *  0.0975% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU   71  10.47 +/- 0.72   1.705% *  0.0636% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    LEU   71  15.62 +/- 2.97   0.580% *  0.0981% (1.00   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  14.16 +/- 2.88   0.779% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  20.18 +/- 2.72   0.249% *  0.0882% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 5.79, residual support = 136.2:
          HG    LEU   71 - HN    LEU   71   3.00 +/- 0.83  56.682% * 80.3488% (0.99   5.91 139.38) =  97.687%  kept
          HG13  ILE   19 - HN    LEU   71   9.66 +/- 3.70   3.541% * 14.5784% (0.95   1.12   0.47) =   1.107%  kept
          QG2   THR   39 - HN    LEU   71   4.51 +/- 1.56  32.249% *  1.5922% (0.65   0.18   0.17) =   1.101%  kept
          HG2   LYS+  74 - HN    LEU   71  11.93 +/- 1.54   1.509% *  2.6585% (1.00   0.19   0.22) =   0.086%
          HG3   LYS+  99 - HN    LEU   71  12.39 +/- 4.18   1.624% *  0.2743% (1.00   0.02   0.02) =   0.010%
          HG3   LYS+  38 - HN    LEU   71  11.21 +/- 1.70   1.896% *  0.1030% (0.38   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    LEU   71  16.14 +/- 2.98   1.405% *  0.0611% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   71  19.54 +/- 1.92   0.349% *  0.1775% (0.65   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  19.69 +/- 3.08   0.470% *  0.1128% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  24.29 +/- 3.93   0.276% *  0.0936% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.13 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.899, support = 5.99, residual support = 91.9:
          QD1   LEU   71 - HN    LEU   71   3.46 +/- 0.71  50.750% * 41.3447% (0.84   6.21 139.38) =  55.724%  kept
          QG1   VAL   70 - HN    LEU   71   4.16 +/- 0.33  33.751% * 46.6926% (0.98   5.98  34.07) =  41.852%  kept
          QG1   VAL   18 - HN    LEU   71   8.22 +/- 3.82   9.274% *  9.0558% (1.00   1.14   0.02) =   2.230%  kept
          HB3   LEU   63 - HN    LEU   71  10.74 +/- 1.88   2.607% *  2.6648% (0.69   0.49   0.02) =   0.184%  kept
          QD1   LEU  123 - HN    LEU   71  15.91 +/- 4.32   1.814% *  0.1331% (0.84   0.02   0.02) =   0.006%
          HB3   LEU  104 - HN    LEU   71  14.88 +/- 3.50   1.044% *  0.0776% (0.49   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   71  17.61 +/- 3.09   0.760% *  0.0315% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.95 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 = 6.38, residual support = 34.1:
          QG2   VAL   70 - HN    LEU   71   2.90 +/- 0.37 100.000% *100.0000% (0.73   6.38  34.07) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.74, residual support = 81.6:
      O   HB    VAL   70 - HN    VAL   70   2.74 +/- 0.38  91.117% * 99.6297% (0.76  10.0   4.74  81.62) =  99.991%  kept
          QG    GLN   17 - HN    VAL   70   9.33 +/- 3.50   6.095% *  0.1089% (0.84   1.0   0.02   0.02) =   0.007%
          HB2   LYS+  38 - HN    VAL   70  13.85 +/- 2.48   1.302% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   70  14.45 +/- 2.07   0.974% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.64 +/- 2.20   0.221% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  20.07 +/- 2.56   0.291% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.834, support = 0.664, residual support = 5.43:
          HB3   LEU   67 - HN    VAL   70   3.81 +/- 1.14  37.276% * 31.3755% (0.87   0.68   0.02) =  73.181%  kept
          HG    LEU   40 - HN    VAL   70   7.11 +/- 1.13   7.961% * 29.8611% (0.61   0.93  36.27) =  14.875%  kept
          QG    LYS+  66 - HN    VAL   70   7.60 +/- 1.43  12.162% *  9.8410% (0.98   0.19   0.02) =   7.489%  kept
          HG    LEU   73 - HN    VAL   70  11.84 +/- 0.92   1.892% * 22.3162% (0.99   0.43   0.74) =   2.642%  kept
          HG    LEU   67 - HN    VAL   70   4.71 +/- 1.41  26.104% *  0.5157% (0.49   0.02   0.02) =   0.842%  kept
          QB    ALA   61 - HN    VAL   70   9.24 +/- 1.73   9.272% *  0.7693% (0.73   0.02   0.02) =   0.446%  kept
          HG12  ILE   19 - HN    VAL   70  11.73 +/- 3.53   2.578% *  2.6035% (0.41   0.12   0.11) =   0.420%  kept
          QB    ALA  110 - HN    VAL   70  17.99 +/- 4.00   1.311% *  0.5157% (0.49   0.02   0.02) =   0.042%
          HB3   LEU  115 - HN    VAL   70  17.33 +/- 2.54   0.788% *  0.6426% (0.61   0.02   0.02) =   0.032%
          HG2   LYS+ 102 - HN    VAL   70  20.41 +/- 3.43   0.267% *  1.0021% (0.95   0.02   0.02) =   0.017%
          HG    LEU   80 - HN    VAL   70  20.43 +/- 3.19   0.388% *  0.5574% (0.53   0.02   0.02) =   0.014%
    Distance limit 4.33 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 = 0.931, support = 4.98, residual support = 76.3:
          QG1   VAL   70 - HN    VAL   70   2.34 +/- 0.52  71.552% * 54.0343% (0.92   5.11  81.62) =  88.784%  kept
          QD1   LEU   71 - HN    VAL   70   6.07 +/- 1.15  10.722% * 45.2757% (1.00   3.95  34.07) =  11.147%  kept
          QG1   VAL   18 - HN    VAL   70   8.31 +/- 3.88  11.989% *  0.1914% (0.84   0.02   0.02) =   0.053%
          HB3   LEU   63 - HN    VAL   70   8.51 +/- 1.69   4.063% *  0.0782% (0.34   0.02   0.02) =   0.007%
          QD1   LEU  123 - HN    VAL   70  14.79 +/- 4.48   1.254% *  0.2291% (1.00   0.02   0.02) =   0.007%
          HB3   LEU  104 - HN    VAL   70  16.30 +/- 4.13   0.420% *  0.1914% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.31, residual support = 81.6:
          QG2   VAL   70 - HN    VAL   70   3.72 +/- 0.13 100.000% *100.0000% (0.98   4.31  81.62) = 100.000%  kept
    Distance limit 4.10 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 = 60.9:
      O   HB2   ASN   69 - HD22  ASN   69   3.83 +/- 0.48  85.232% * 99.7633% (0.55  10.0   2.96  60.88) =  99.995%  kept
          QE    LYS+  66 - HD22  ASN   69  11.38 +/- 2.70  10.427% *  0.0227% (0.12   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HD22  ASN   69  21.19 +/- 2.11   0.642% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  14.82 +/- 3.32   2.504% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  23.98 +/- 2.88   0.467% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.33 +/- 2.86   0.729% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.557, support = 3.07, residual support = 24.8:
          QG1   VAL   70 - HD22  ASN   69   4.41 +/- 1.19  52.612% * 88.3431% (0.56   3.26  26.53) =  93.481%  kept
          QD1   LEU   71 - HD22  ASN   69   7.12 +/- 2.33  31.846% *  9.9810% (0.53   0.39   0.02) =   6.393%  kept
          QG1   VAL   18 - HD22  ASN   69  11.76 +/- 3.51   3.543% *  0.5244% (0.54   0.02   0.02) =   0.037%
          QD1   LEU  123 - HD22  ASN   69  16.07 +/- 5.35   3.207% *  0.5140% (0.53   0.02   0.02) =   0.033%
          HB3   LEU  104 - HD22  ASN   69  16.70 +/- 5.61   4.179% *  0.3515% (0.36   0.02   0.02) =   0.030%
          HB3   LEU   63 - HD22  ASN   69  11.69 +/- 2.95   4.613% *  0.2859% (0.30   0.02   0.02) =   0.027%
    Distance limit 4.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   3.98 +/- 0.65 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 31.0:
          HD2   PRO   68 - HN    ASN   69   2.92 +/- 0.65  93.771% * 99.1823% (0.80   5.96  31.05) =  99.978%  kept
          HA    ALA   61 - HN    ASN   69  10.77 +/- 1.82   4.003% *  0.3930% (0.95   0.02   0.02) =   0.017%
          HD3   PRO   58 - HN    ASN   69  17.57 +/- 2.68   1.040% *  0.2688% (0.65   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    ASN   69  14.71 +/- 1.68   1.185% *  0.1559% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.96, residual support = 31.0:
          HD3   PRO   68 - HN    ASN   69   3.52 +/- 0.65  87.704% * 98.4621% (0.99   5.96  31.05) =  99.957%  kept
          HB3   CYS   53 - HN    ASN   69  18.40 +/- 5.00   4.993% *  0.3216% (0.97   0.02   0.02) =   0.019%
          HB2   PHE   59 - HN    ASN   69  15.51 +/- 2.79   3.679% *  0.2546% (0.76   0.02   0.02) =   0.011%
          HD3   PRO   93 - HN    ASN   69  20.99 +/- 4.34   1.537% *  0.3325% (1.00   0.02   0.02) =   0.006%
          QB    PHE   55 - HN    ASN   69  19.10 +/- 3.38   1.337% *  0.3216% (0.97   0.02   0.02) =   0.005%
          HD2   ARG+  54 - HN    ASN   69  21.80 +/- 5.03   0.750% *  0.3076% (0.92   0.02   0.02) =   0.003%
    Distance limit 4.75 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 = 0.713, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.15 +/- 1.75  32.363% * 39.8620% (0.87   0.02   0.02) =  50.261%  kept
          HA    ALA   64 - HN    ASN   69   6.28 +/- 1.05  57.650% * 14.1837% (0.31   0.02   0.02) =  31.857%  kept
          HB3   ASN   35 - HN    ASN   69  17.99 +/- 3.29   9.987% * 45.9543% (1.00   0.02   0.02) =  17.881%  kept
    Distance limit 3.93 A violated in 15 structures by 2.01 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.157, support = 3.76, residual support = 25.9:
          HB    VAL   70 - HN    ASN   69   4.31 +/- 0.65  72.900% * 82.8903% (0.15   3.84  26.53) =  97.665%  kept
          QG    GLN   17 - HN    ASN   69  10.08 +/- 3.48  16.668% *  7.6038% (0.20   0.27   0.02) =   2.048%  kept
          HB2   LYS+  38 - HN    ASN   69  14.87 +/- 3.02   4.232% *  2.7727% (0.99   0.02   0.02) =   0.190%  kept
          HG3   GLU-  29 - HN    ASN   69  21.44 +/- 3.09   0.887% *  2.2401% (0.80   0.02   0.02) =   0.032%
          HB3   GLU-  29 - HN    ASN   69  19.98 +/- 2.78   1.146% *  1.1501% (0.41   0.02   0.02) =   0.021%
          QB    GLU-  36 - HN    ASN   69  15.75 +/- 2.61   2.179% *  0.4899% (0.18   0.02   0.02) =   0.017%
          HB2   GLN   90 - HN    ASN   69  25.26 +/- 3.69   0.428% *  1.6968% (0.61   0.02   0.02) =   0.012%
          HB2   GLU-  25 - HN    ASN   69  22.98 +/- 2.79   0.746% *  0.7778% (0.28   0.02   0.02) =   0.009%
          HB3   GLU-  79 - HN    ASN   69  20.59 +/- 2.51   0.814% *  0.3786% (0.14   0.02   0.02) =   0.005%
    Distance limit 4.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.943, support = 6.02, residual support = 31.0:
      O   HB3   PRO   68 - HN    ASN   69   3.98 +/- 0.70  33.868% * 95.4544% (0.99  10.0   6.02  31.05) =  94.330%  kept
          HG2   PRO   68 - HN    ASN   69   3.45 +/- 1.08  49.249% *  3.9252% (0.14   1.0   6.02  31.05) =   5.640%  kept
          HB2   GLN   17 - HN    ASN   69  11.15 +/- 3.50   6.406% *  0.0699% (0.73   1.0   0.02   0.02) =   0.013%
          QB    GLU-  15 - HN    ASN   69  12.54 +/- 4.15   3.014% *  0.0699% (0.73   1.0   0.02   0.02) =   0.006%
          HG3   GLN   30 - HN    ASN   69  15.10 +/- 2.36   0.952% *  0.0835% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ASN   69  15.11 +/- 2.51   1.036% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASN   69  18.26 +/- 4.28   0.895% *  0.0545% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASN   69  18.15 +/- 4.46   0.729% *  0.0623% (0.65   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASN   69  13.30 +/- 2.25   1.567% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  21.00 +/- 5.00   0.832% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ASN   69  20.41 +/- 4.68   0.627% *  0.0329% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  23.32 +/- 4.56   0.234% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ASN   69  23.36 +/- 2.83   0.203% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.75 +/- 3.59   0.388% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.48, residual support = 31.0:
          HG3   PRO   68 - HN    ASN   69   3.86 +/- 0.48  77.554% * 92.7609% (0.38   5.49  31.05) =  99.785%  kept
          HB3   LYS+  38 - HN    ASN   69  14.11 +/- 3.05   7.706% *  0.8513% (0.95   0.02   0.02) =   0.091%
          HB    ILE   56 - HN    ASN   69  18.03 +/- 3.31   2.019% *  0.8979% (1.00   0.02   0.02) =   0.025%
          HB3   GLN   30 - HN    ASN   69  15.28 +/- 2.24   2.204% *  0.7206% (0.80   0.02   0.02) =   0.022%
          QB    LYS+  33 - HN    ASN   69  14.97 +/- 2.64   2.510% *  0.5458% (0.61   0.02   0.02) =   0.019%
          QB    LYS+ 106 - HN    ASN   69  16.53 +/- 3.00   1.548% *  0.7206% (0.80   0.02   0.02) =   0.015%
          HB3   ASP- 105 - HN    ASN   69  17.13 +/- 4.20   1.683% *  0.4380% (0.49   0.02   0.02) =   0.010%
          HB2   MET   92 - HN    ASN   69  22.01 +/- 4.35   0.946% *  0.5822% (0.65   0.02   0.02) =   0.008%
          HB3   PRO   58 - HN    ASN   69  16.34 +/- 1.78   1.309% *  0.4035% (0.45   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HN    ASN   69  20.96 +/- 4.85   0.928% *  0.4035% (0.45   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    ASN   69  22.88 +/- 2.48   0.467% *  0.6877% (0.76   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    ASN   69  19.81 +/- 2.89   0.720% *  0.3700% (0.41   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ASN   69  24.89 +/- 3.45   0.407% *  0.6181% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 4.31, residual support = 25.6:
          QG1   VAL   70 - HN    ASN   69   3.12 +/- 0.92  61.009% * 83.4696% (0.73   4.42  26.53) =  96.637%  kept
          QD1   LEU   71 - HN    ASN   69   7.31 +/- 1.27  11.049% * 14.9840% (0.49   1.18   0.02) =   3.142%  kept
          QG1   VAL   18 - HN    ASN   69   9.39 +/- 3.80  18.322% *  0.4346% (0.84   0.02   0.02) =   0.151%  kept
          HB3   LEU   63 - HN    ASN   69   9.10 +/- 2.02   5.457% *  0.5022% (0.97   0.02   0.02) =   0.052%
          QD1   LEU  123 - HN    ASN   69  15.19 +/- 4.95   1.802% *  0.2533% (0.49   0.02   0.02) =   0.009%
          QG1   VAL  108 - HN    ASN   69  18.23 +/- 4.39   1.654% *  0.2533% (0.49   0.02   0.02) =   0.008%
          HB3   LEU  104 - HN    ASN   69  17.38 +/- 4.60   0.708% *  0.1030% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.984, support = 3.93, residual support = 19.6:
          HD2   PRO   68 - HN    LEU   67   4.21 +/- 0.99  49.366% * 96.2064% (1.00   3.95  19.54) =  98.497%  kept
          HA    VAL   24 - HE3   TRP   27   5.82 +/- 0.26  22.793% *  2.8666% (0.04   2.74  27.00) =   1.355%  kept
          HA    ALA   61 - HN    LEU   67   7.44 +/- 0.78  12.045% *  0.4708% (0.97   0.02   0.02) =   0.118%  kept
          HA    VAL   24 - HN    LEU   67  16.81 +/- 3.52   3.530% *  0.1664% (0.34   0.02   0.02) =   0.012%
          HD2   PRO   68 - HE3   TRP   27  14.67 +/- 3.34   5.788% *  0.0612% (0.13   0.02   0.02) =   0.007%
          HD3   PRO   58 - HN    LEU   67  14.36 +/- 1.94   1.828% *  0.1506% (0.31   0.02   0.02) =   0.006%
          HA    ALA   61 - HE3   TRP   27  12.51 +/- 2.61   3.877% *  0.0592% (0.12   0.02   0.02) =   0.005%
          HD3   PRO   58 - HE3   TRP   27  19.25 +/- 2.88   0.773% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.36, residual support = 19.5:
          HD3   PRO   68 - HN    LEU   67   4.07 +/- 0.78  72.319% * 97.4279% (0.76   4.36  19.54) =  99.913%  kept
          HB3   CYS   53 - HN    LEU   67  14.69 +/- 4.00   3.997% *  0.5528% (0.95   0.02   0.02) =   0.031%
          HB2   PHE   59 - HN    LEU   67  12.07 +/- 1.68   3.863% *  0.2402% (0.41   0.02   0.02) =   0.013%
          HD2   ARG+  54 - HN    LEU   67  18.55 +/- 3.94   1.449% *  0.5728% (0.98   0.02   0.02) =   0.012%
          QB    PHE   55 - HN    LEU   67  16.10 +/- 2.11   1.724% *  0.4014% (0.69   0.02   0.02) =   0.010%
          HD3   PRO   93 - HN    LEU   67  17.49 +/- 3.53   1.403% *  0.4679% (0.80   0.02   0.02) =   0.009%
          HD3   PRO   68 - HE3   TRP   27  14.63 +/- 3.48   9.558% *  0.0561% (0.10   0.02   0.02) =   0.008%
          HB3   CYS   53 - HE3   TRP   27  18.49 +/- 2.66   1.262% *  0.0695% (0.12   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  19.24 +/- 2.34   1.103% *  0.0588% (0.10   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HE3   TRP   27  23.76 +/- 3.92   0.799% *  0.0720% (0.12   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  17.24 +/- 2.57   1.722% *  0.0302% (0.05   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  20.30 +/- 2.64   0.801% *  0.0505% (0.09   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 0 structures by 0.07 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.594, support = 2.71, residual support = 8.68:
          HA    ALA   64 - HN    LEU   67   3.07 +/- 0.54  72.812% * 23.7477% (0.65   1.20   4.08) =  56.660%  kept
          QE    LYS+  66 - HN    LEU   67   5.48 +/- 0.76  17.489% * 75.5861% (0.53   4.69  14.70) =  43.318%  kept
          HA    ALA   64 - HE3   TRP   27  10.97 +/- 2.40   6.451% *  0.0498% (0.08   0.02   0.02) =   0.011%
          HB3   ASN   35 - HN    LEU   67  19.83 +/- 2.26   0.389% *  0.5116% (0.84   0.02   0.02) =   0.007%
          HB3   ASN   35 - HE3   TRP   27  11.92 +/- 0.70   1.705% *  0.0643% (0.10   0.02   0.02) =   0.004%
          QE    LYS+  66 - HE3   TRP   27  15.70 +/- 3.02   1.153% *  0.0405% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.608, support = 5.07, residual support = 58.8:
      O   HB2   LEU   67 - HN    LEU   67   3.04 +/- 0.64  54.732% * 82.2920% (0.61  10.0   5.12  60.40) =  96.005%  kept
          HG2   PRO   68 - HN    LEU   67   6.19 +/- 0.79  10.888% * 17.1280% (0.65   1.0   3.90  19.54) =   3.975%  kept
          HB    VAL   18 - HN    LEU   67   8.67 +/- 4.53   9.745% *  0.0463% (0.34   1.0   0.02   0.02) =   0.010%
          HG3   PRO   58 - HN    LEU   67  14.84 +/- 2.20   0.746% *  0.1309% (0.97   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    LEU   67  12.18 +/- 1.67   1.193% *  0.0768% (0.57   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HE3   TRP   27   6.44 +/- 1.32   8.738% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    LEU   67  15.42 +/- 2.95   0.642% *  0.1283% (0.95   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HE3   TRP   27   9.95 +/- 1.94   6.106% *  0.0058% (0.04   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LEU   67  17.47 +/- 2.89   0.393% *  0.0660% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HE3   TRP   27  12.52 +/- 2.81   1.807% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  16.15 +/- 3.43   1.454% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  17.88 +/- 3.35   0.578% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  21.40 +/- 3.26   0.236% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.43 +/- 0.28   1.712% *  0.0034% (0.02   1.0   0.02   0.65) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  19.97 +/- 2.91   0.309% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.63 +/- 1.88   0.253% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  20.02 +/- 2.43   0.243% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  22.82 +/- 3.33   0.225% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.925, support = 4.56, residual support = 13.4:
          QB    LYS+  66 - HN    LEU   67   3.19 +/- 0.42  48.868% * 75.9680% (0.95   4.86  14.70) =  90.793%  kept
          QB    LYS+  65 - HN    LEU   67   4.76 +/- 0.23  16.985% * 20.7423% (0.76   1.64   0.51) =   8.616%  kept
          HB    VAL   41 - HE3   TRP   27   7.61 +/- 3.69  16.154% *  1.3893% (0.10   0.84   0.13) =   0.549%  kept
          HB2   LEU   71 - HN    LEU   67   9.83 +/- 1.13   1.796% *  0.2400% (0.73   0.02   0.02) =   0.011%
          HB    VAL   41 - HN    LEU   67  12.75 +/- 1.89   1.044% *  0.2647% (0.80   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    LEU   67  16.62 +/- 3.28   0.640% *  0.3276% (0.99   0.02   0.02) =   0.005%
          HB3   GLN   17 - HN    LEU   67  11.13 +/- 3.61   2.420% *  0.0736% (0.22   0.02   0.02) =   0.004%
          QB    LYS+  66 - HE3   TRP   27  13.59 +/- 2.95   2.885% *  0.0393% (0.12   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    LEU   67  17.67 +/- 4.70   0.817% *  0.1241% (0.38   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU   67  17.68 +/- 2.04   0.343% *  0.2138% (0.65   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU   67  18.89 +/- 4.09   0.546% *  0.1241% (0.38   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   67  19.74 +/- 2.07   0.224% *  0.2867% (0.87   0.02   0.02) =   0.002%
          QB    LYS+  65 - HE3   TRP   27  12.03 +/- 1.83   1.492% *  0.0318% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   71 - HE3   TRP   27  11.41 +/- 1.45   1.368% *  0.0302% (0.09   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  13.31 +/- 3.72   1.388% *  0.0269% (0.08   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  15.71 +/- 3.41   0.691% *  0.0360% (0.11   0.02   0.02) =   0.001%
          HG2   PRO   93 - HE3   TRP   27  19.03 +/- 2.08   0.321% *  0.0412% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  12.41 +/- 1.57   1.150% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  21.90 +/- 4.57   0.661% *  0.0156% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  22.29 +/- 3.10   0.205% *  0.0156% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.573, support = 5.19, residual support = 53.9:
      O   HB3   LEU   67 - HN    LEU   67   3.11 +/- 0.64  26.291% * 37.0496% (0.25  10.0   4.47  60.40) =  44.869%  kept
          HG    LEU   67 - HN    LEU   67   3.70 +/- 0.75  19.712% * 44.8068% (1.00   1.0   6.04  60.40) =  40.685%  kept
          QG    LYS+  66 - HN    LEU   67   3.79 +/- 0.78  17.723% * 16.2349% (0.41   1.0   5.32  14.70) =  13.254%  kept
          HG    LEU   73 - HE3   TRP   27   4.32 +/- 3.02  25.395% *  1.0041% (0.08   1.0   1.77  22.62) =   1.175%  kept
          HG    LEU   40 - HN    LEU   67  10.13 +/- 1.16   0.657% *  0.1473% (0.99   1.0   0.02   0.02) =   0.004%
          HB3   LEU  115 - HN    LEU   67  14.93 +/- 2.44   0.322% *  0.1473% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    LEU   67   7.50 +/- 0.57   1.850% *  0.0229% (0.15   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU   67  12.11 +/- 1.19   0.471% *  0.0901% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LEU   67  12.00 +/- 1.26   0.410% *  0.0666% (0.45   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   67  15.15 +/- 2.60   0.265% *  0.1021% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   67  15.84 +/- 3.52   0.234% *  0.1021% (0.69   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HE3   TRP   27  12.70 +/- 2.92   1.217% *  0.0186% (0.13   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HE3   TRP   27  11.09 +/- 1.70   0.878% *  0.0185% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE3   TRP   27  12.57 +/- 2.78   1.533% *  0.0047% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  22.67 +/- 2.48   0.062% *  0.1079% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  12.37 +/- 2.37   0.798% *  0.0084% (0.06   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  14.19 +/- 2.55   0.627% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  18.91 +/- 3.33   0.333% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  19.19 +/- 2.34   0.161% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.76 +/- 4.25   0.201% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  11.28 +/- 2.02   0.716% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  19.39 +/- 2.24   0.144% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.309, support = 4.21, residual support = 60.0:
          QD1   LEU   67 - HN    LEU   67   3.26 +/- 0.79  54.946% * 89.8730% (0.31   4.24  60.40) =  99.376%  kept
          HG3   LYS+  74 - HE3   TRP   27  10.25 +/- 1.73   3.257% *  3.7553% (0.07   0.83   0.02) =   0.246%  kept
          QD2   LEU   71 - HN    LEU   67   8.53 +/- 0.85   4.145% *  1.3262% (0.97   0.02   0.02) =   0.111%  kept
          QG2   ILE  119 - HN    LEU   67  12.31 +/- 3.31   3.866% *  1.3262% (0.97   0.02   0.02) =   0.103%  kept
          HG3   LYS+  74 - HN    LEU   67  10.02 +/- 2.68   3.659% *  0.7230% (0.53   0.02   0.02) =   0.053%
          QD2   LEU   40 - HN    LEU   67   9.33 +/- 1.52   4.326% *  0.3821% (0.28   0.02   0.02) =   0.033%
          QD2   LEU   71 - HE3   TRP   27   9.06 +/- 1.94   6.423% *  0.1667% (0.12   0.02   0.02) =   0.022%
          QD1   ILE  103 - HN    LEU   67  15.88 +/- 1.81   0.686% *  1.3711% (1.00   0.02   0.02) =   0.019%
          QG2   ILE  103 - HN    LEU   67  15.31 +/- 1.72   0.766% *  0.5649% (0.41   0.02   0.02) =   0.009%
          QD1   LEU   67 - HE3   TRP   27   9.83 +/- 2.09   7.848% *  0.0533% (0.04   0.02   0.02) =   0.008%
          QD1   ILE  103 - HE3   TRP   27  11.75 +/- 3.54   2.046% *  0.1724% (0.13   0.02   0.02) =   0.007%
          QG2   ILE  119 - HE3   TRP   27  16.37 +/- 3.07   1.729% *  0.1667% (0.12   0.02   0.02) =   0.006%
          QD2   LEU   40 - HE3   TRP   27   9.84 +/- 2.08   4.740% *  0.0480% (0.03   0.02   0.02) =   0.005%
          QG2   ILE  103 - HE3   TRP   27  12.62 +/- 3.00   1.562% *  0.0710% (0.05   0.02   0.02) =   0.002%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.04, residual support = 29.9:
      O   HA    LYS+  65 - HN    LYS+  66   3.53 +/- 0.07  70.015% * 98.9277% (0.61  10.0   6.04  29.94) =  99.934%  kept
          QB    SER   48 - HN    LYS+  66  13.37 +/- 5.88  19.648% *  0.1617% (0.99   1.0   0.02   0.02) =   0.046%
          HB    THR   94 - HN    LYS+  66  15.03 +/- 3.62   2.974% *  0.1543% (0.95   1.0   0.02   0.02) =   0.007%
          HA2   GLY   16 - HN    LYS+  66  13.91 +/- 4.55   2.616% *  0.1120% (0.69   1.0   0.02   0.02) =   0.004%
          HA    ALA  120 - HN    LYS+  66  17.43 +/- 3.86   1.258% *  0.1574% (0.97   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    LYS+  66  17.88 +/- 4.63   1.297% *  0.1362% (0.84   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    LYS+  66  18.10 +/- 3.65   0.982% *  0.1463% (0.90   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LYS+  66  16.62 +/- 2.37   0.855% *  0.0923% (0.57   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  66  21.51 +/- 2.57   0.355% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 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 = 2.72, residual support = 7.31:
          HA    LEU   63 - HN    LYS+  66   3.73 +/- 0.41  97.845% * 99.1642% (0.99   2.72   7.31) =  99.990%  kept
          HB2   HIS   22 - HN    LYS+  66  17.08 +/- 3.08   1.671% *  0.5058% (0.69   0.02   0.02) =   0.009%
          HA2   GLY  101 - HN    LYS+  66  23.08 +/- 1.74   0.484% *  0.3301% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.851, support = 4.85, residual support = 23.7:
          HA    ALA   64 - HN    LYS+  66   3.81 +/- 0.46  61.710% * 77.7674% (0.95   4.74   9.61) =  86.881%  kept
          QE    LYS+  66 - HN    LYS+  66   4.88 +/- 0.74  33.472% * 21.5854% (0.22   5.59 117.31) =  13.080%  kept
          HB2   PHE   72 - HN    LYS+  66   9.56 +/- 1.07   4.282% *  0.4784% (0.22   0.12   0.42) =   0.037%
          HB3   ASN   35 - HN    LYS+  66  20.92 +/- 2.17   0.535% *  0.1688% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.92 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 = 0.707, support = 5.46, residual support = 102.2:
      O   QB    LYS+  66 - HN    LYS+  66   2.38 +/- 0.24  66.027% * 68.5623% (0.65  10.0   5.37 117.31) =  82.658%  kept
          QB    LYS+  65 - HN    LYS+  66   3.15 +/- 0.33  30.634% * 30.9971% (0.99   1.0   5.90  29.94) =  17.338%  kept
          HB3   GLN   17 - HN    LYS+  66  11.44 +/- 3.90   1.395% *  0.0558% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+  66  11.21 +/- 1.46   0.737% *  0.1039% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  15.99 +/- 3.48   0.479% *  0.0951% (0.90   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  66  13.77 +/- 2.00   0.433% *  0.0475% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  20.66 +/- 1.88   0.116% *  0.1057% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.49 +/- 2.23   0.179% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.612, support = 4.15, residual support = 51.3:
          HG    LEU   67 - HN    LYS+  66   5.25 +/- 1.08  26.287% * 78.7980% (0.87   3.71  14.70) =  64.182%  kept
          QG    LYS+  66 - HN    LYS+  66   3.04 +/- 0.75  61.657% * 18.6996% (0.15   4.95 117.31) =  35.726%  kept
          HG    LEU   40 - HN    LYS+  66  11.56 +/- 1.11   1.656% *  0.3742% (0.76   0.02   0.02) =   0.019%
          HG    LEU  115 - HN    LYS+  66  14.33 +/- 2.66   1.041% *  0.4725% (0.97   0.02   0.02) =   0.015%
          HB2   LYS+  74 - HN    LYS+  66   9.36 +/- 1.92   5.043% *  0.0969% (0.20   0.02   0.02) =   0.015%
          QB    ALA  120 - HN    LYS+  66  15.49 +/- 2.95   0.875% *  0.4725% (0.97   0.02   0.02) =   0.013%
          HB3   LEU   40 - HN    LYS+  66  13.49 +/- 1.19   0.965% *  0.3921% (0.80   0.02   0.02) =   0.012%
          HB3   LEU  115 - HN    LYS+  66  14.19 +/- 2.58   0.971% *  0.3742% (0.76   0.02   0.02) =   0.011%
          HG    LEU   73 - HN    LYS+  66  12.37 +/- 1.34   1.321% *  0.1361% (0.28   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    LYS+  66  23.72 +/- 2.40   0.184% *  0.1838% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.09, residual support = 9.61:
          QB    ALA   64 - HN    LYS+  66   4.42 +/- 0.25 100.000% *100.0000% (0.95   4.09   9.61) = 100.000%  kept
    Distance limit 4.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 157.1:
      O   HA    LYS+  65 - HN    LYS+  65   2.79 +/- 0.08  82.857% * 99.3218% (0.64  10.0   6.08 157.13) =  99.985%  kept
          QB    SER   48 - HN    LYS+  65  12.89 +/- 4.70   7.430% *  0.0822% (0.53   1.0   0.02   0.02) =   0.007%
          HB    THR   94 - HN    LYS+  65  13.51 +/- 3.68   3.677% *  0.0696% (0.45   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    LYS+  65  13.92 +/- 4.67   1.744% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  65  16.76 +/- 2.63   0.552% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LYS+  65  15.65 +/- 4.03   1.439% *  0.0367% (0.24   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LYS+  65  17.16 +/- 3.59   0.569% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  17.45 +/- 2.51   0.455% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  20.31 +/- 2.61   0.258% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.78 +/- 1.37   0.516% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.42 +/- 1.73   0.277% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  21.47 +/- 2.95   0.228% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.648, support = 4.9, residual support = 29.4:
      O   HA    ALA   64 - HN    LYS+  65   3.52 +/- 0.06  75.218% * 95.4008% (0.65  10.0   4.91  29.37) =  98.923%  kept
          QE    LYS+  66 - HN    LYS+  65   6.84 +/- 1.14  17.222% *  4.5277% (0.15   1.0   4.03  29.94) =   1.075%  kept
          HB2   PHE   72 - HN    LYS+  65   8.25 +/- 1.04   7.121% *  0.0225% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  20.24 +/- 1.64   0.439% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.44, residual support = 153.2:
      O   QB    LYS+  65 - HN    LYS+  65   2.13 +/- 0.12  85.568% * 77.2195% (0.53  10.0   6.50 157.13) =  96.916%  kept
          QB    LYS+  66 - HN    LYS+  65   4.58 +/- 0.32   9.429% * 22.2747% (0.65   1.0   4.66  29.94) =   3.081%  kept
          HB2   LEU   71 - HN    LYS+  65  10.83 +/- 1.61   0.930% *  0.0734% (0.50   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  65  14.83 +/- 3.09   0.502% *  0.1001% (0.68   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  12.62 +/- 2.12   0.547% *  0.0809% (0.55   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  11.26 +/- 4.10   1.891% *  0.0225% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LYS+  65  16.71 +/- 3.74   0.494% *  0.0379% (0.26   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  17.20 +/- 2.34   0.199% *  0.0654% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  16.48 +/- 3.05   0.322% *  0.0379% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.77 +/- 1.81   0.117% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.195, support = 4.43, residual support = 116.7:
          HG2   LYS+  65 - HN    LYS+  65   3.77 +/- 0.62  55.047% * 50.3926% (0.14   5.35 157.13) =  74.170%  kept
          HG    LEU   67 - HN    LYS+  65   6.24 +/- 1.22  21.095% * 45.2293% (0.36   1.81   0.51) =  25.511%  kept
          HB2   LYS+  74 - HN    LYS+  65   8.19 +/- 1.47   9.341% *  0.4630% (0.34   0.02   0.02) =   0.116%  kept
          HG    LEU  115 - HN    LYS+  65  13.22 +/- 1.96   2.034% *  0.8999% (0.65   0.02   0.02) =   0.049%
          HB3   LEU   40 - HN    LYS+  65  12.99 +/- 1.64   1.867% *  0.9491% (0.69   0.02   0.02) =   0.047%
          HG    LEU   40 - HN    LYS+  65  10.98 +/- 1.51   3.351% *  0.3911% (0.28   0.02   0.02) =   0.035%
          QB    ALA  120 - HN    LYS+  65  14.88 +/- 1.91   1.294% *  0.8999% (0.65   0.02   0.02) =   0.031%
          HB3   LEU  115 - HN    LYS+  65  13.08 +/- 1.77   1.668% *  0.3911% (0.28   0.02   0.02) =   0.017%
          QG2   THR   26 - HN    LYS+  65  13.24 +/- 2.10   2.660% *  0.2372% (0.17   0.02   0.02) =   0.017%
          HD2   LYS+ 121 - HN    LYS+  65  15.00 +/- 3.00   1.644% *  0.1468% (0.11   0.02   0.02) =   0.006%
    Distance limit 3.81 A violated in 0 structures by 0.14 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.306, support = 3.95, residual support = 94.4:
          HG3   LYS+  65 - HN    LYS+  65   3.95 +/- 0.60  41.367% * 43.2865% (0.17   5.23 157.13) =  59.127%  kept
          HB2   LEU   63 - HN    LYS+  65   4.95 +/- 0.40  23.910% * 51.1336% (0.50   2.12   3.70) =  40.371%  kept
          HB3   ASP-  44 - HN    LYS+  65   7.69 +/- 2.72  14.342% *  0.5548% (0.58   0.02   0.02) =   0.263%  kept
          HB3   PRO   93 - HN    LYS+  65  12.83 +/- 3.03   3.669% *  0.6583% (0.68   0.02   0.02) =   0.080%
          HB    VAL   42 - HN    LYS+  65   9.00 +/- 1.66   5.617% *  0.1656% (0.17   0.02   0.02) =   0.031%
          QB    ALA   84 - HN    LYS+  65  15.33 +/- 2.71   1.170% *  0.6627% (0.69   0.02   0.02) =   0.026%
          HB3   LEU   73 - HN    LYS+  65   9.99 +/- 1.33   2.815% *  0.2050% (0.21   0.02   0.02) =   0.019%
          HG    LEU   98 - HN    LYS+  65  15.73 +/- 2.05   0.862% *  0.6583% (0.68   0.02   0.02) =   0.019%
          QB    ALA  124 - HN    LYS+  65  17.53 +/- 3.18   0.844% *  0.6283% (0.65   0.02   0.02) =   0.018%
          HB2   LYS+ 112 - HN    LYS+  65  16.07 +/- 2.63   1.275% *  0.2731% (0.28   0.02   0.02) =   0.011%
          HB3   LEU   80 - HN    LYS+  65  16.43 +/- 2.73   0.787% *  0.4029% (0.42   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HN    LYS+  65  17.00 +/- 2.84   0.804% *  0.3495% (0.36   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    LYS+  65  16.90 +/- 1.99   0.629% *  0.2978% (0.31   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HN    LYS+  65  19.52 +/- 2.57   0.485% *  0.2493% (0.26   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+  65  16.49 +/- 2.12   0.679% *  0.1314% (0.14   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LYS+  65  22.77 +/- 2.32   0.267% *  0.2266% (0.24   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LYS+  65  18.27 +/- 1.83   0.479% *  0.1163% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.14 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 = 29.4:
          QB    ALA   64 - HN    LYS+  65   2.96 +/- 0.16 100.000% *100.0000% (0.65   4.87  29.37) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.745, residual support = 5.96:
          HA    ALA   61 - HN    ALA   64   3.67 +/- 0.51  72.667% * 95.1123% (0.95   0.75   6.00) =  99.269%  kept
          HD2   PRO   68 - HN    ALA   64   7.60 +/- 1.58  18.154% *  2.1470% (0.80   0.02   0.02) =   0.560%  kept
          HD3   PRO   58 - HN    ALA   64  11.19 +/- 0.94   3.642% *  1.7345% (0.65   0.02   0.02) =   0.091%
          HA    VAL   75 - HN    ALA   64   9.30 +/- 1.42   5.537% *  1.0063% (0.38   0.02   0.02) =   0.080%
    Distance limit 4.29 A violated in 0 structures by 0.05 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.78 +/- 0.08  85.392% * 99.9016% (0.95  10.0   4.22  20.67) =  99.996%  kept
          HB2   PHE   72 - HN    ALA   64   7.06 +/- 0.91   7.846% *  0.0235% (0.22   1.0   0.02  46.55) =   0.002%
          QE    LYS+  66 - HN    ALA   64   7.78 +/- 1.29   6.477% *  0.0235% (0.22   1.0   0.02   9.61) =   0.002%
          HB3   ASN   35 - HN    ALA   64  19.28 +/- 1.71   0.285% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.876, support = 5.15, residual support = 27.8:
          QB    LYS+  65 - HN    ALA   64   4.36 +/- 0.23  52.256% * 83.7462% (0.92   5.37  29.37) =  91.922%  kept
          QB    LYS+  66 - HN    ALA   64   5.61 +/- 0.46  25.348% * 14.9727% (0.34   2.60   9.61) =   7.972%  kept
          HB2   LEU   71 - HN    ALA   64  10.30 +/- 1.58   6.822% *  0.3194% (0.95   0.02   0.02) =   0.046%
          HB3   GLN   17 - HN    ALA   64  11.48 +/- 3.14   6.318% *  0.2821% (0.84   0.02   0.82) =   0.037%
          HG2   PRO   93 - HN    ALA   64  14.17 +/- 2.55   2.430% *  0.2048% (0.61   0.02   0.02) =   0.010%
          HB    VAL   41 - HN    ALA   64  11.49 +/- 2.22   3.995% *  0.0668% (0.20   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HN    ALA   64  18.69 +/- 1.62   0.723% *  0.2821% (0.84   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HN    ALA   64  15.67 +/- 2.42   1.472% *  0.0668% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  19.79 +/- 2.04   0.637% *  0.0591% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.69 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 = 0.71, support = 7.51, residual support = 54.1:
          HB2   LEU   63 - HN    ALA   64   3.24 +/- 0.59  53.883% * 82.7258% (0.73   7.63  54.99) =  96.771%  kept
          HG3   LYS+  65 - HN    ALA   64   6.31 +/- 0.82   9.645% * 14.7666% (0.25   3.97  29.37) =   3.092%  kept
          HB3   ASP-  44 - HN    ALA   64   6.74 +/- 2.16  12.624% *  0.2493% (0.84   0.02   0.02) =   0.068%
          HB3   PRO   93 - HN    ALA   64  12.12 +/- 2.49   2.763% *  0.2958% (0.99   0.02   0.02) =   0.018%
          HB    VAL   42 - HN    ALA   64   7.44 +/- 1.85  10.572% *  0.0744% (0.25   0.02   0.02) =   0.017%
          HB3   LEU   73 - HN    ALA   64   9.48 +/- 1.40   3.545% *  0.0921% (0.31   0.02   3.41) =   0.007%
          QB    ALA   84 - HN    ALA   64  15.17 +/- 1.64   0.821% *  0.2978% (1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ALA   64  14.53 +/- 2.16   0.797% *  0.2958% (0.99   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    ALA   64  15.67 +/- 2.88   0.937% *  0.1570% (0.53   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ALA   64  16.77 +/- 2.77   0.506% *  0.2824% (0.95   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    ALA   64  15.08 +/- 2.90   1.060% *  0.1227% (0.41   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    ALA   64  16.44 +/- 2.69   0.621% *  0.1810% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  16.01 +/- 2.13   0.570% *  0.1338% (0.45   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ALA   64  18.65 +/- 2.66   0.402% *  0.1120% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  15.80 +/- 1.95   0.515% *  0.0591% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  17.08 +/- 2.19   0.492% *  0.0523% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  21.59 +/- 2.08   0.248% *  0.1018% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.72, residual support = 54.9:
          HG    LEU   63 - HN    ALA   64   3.52 +/- 1.12  74.618% * 98.5786% (0.53   6.73  54.99) =  99.913%  kept
          HG3   LYS+ 112 - HN    ALA   64  15.11 +/- 3.54   5.956% *  0.5143% (0.92   0.02   0.02) =   0.042%
          QD1   ILE  119 - HN    ALA   64   8.90 +/- 1.71  10.940% *  0.1103% (0.20   0.02   0.02) =   0.016%
          QG2   VAL   24 - HN    ALA   64  14.11 +/- 3.02   4.333% *  0.2091% (0.38   0.02   0.02) =   0.012%
          QG2   VAL  108 - HN    ALA   64  13.85 +/- 1.78   2.410% *  0.3379% (0.61   0.02   0.02) =   0.011%
          HB2   LEU  104 - HN    ALA   64  15.29 +/- 2.32   1.743% *  0.2498% (0.45   0.02   0.02) =   0.006%
    Distance limit 4.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.72, residual support = 54.9:
          HB3   LEU   63 - HN    ALA   64   3.74 +/- 0.60  44.725% * 99.3319% (0.97   6.73  54.99) =  99.831%  kept
          QG1   VAL   18 - HN    ALA   64   6.55 +/- 3.57  24.197% *  0.1610% (0.53   0.02   8.74) =   0.088%
          QG1   VAL   70 - HN    ALA   64   5.73 +/- 1.40  23.374% *  0.1258% (0.41   0.02   0.02) =   0.066%
          QD1   LEU   71 - HN    ALA   64  10.02 +/- 1.58   3.709% *  0.0681% (0.22   0.02   0.02) =   0.006%
          QG1   VAL  108 - HN    ALA   64  14.78 +/- 2.03   0.906% *  0.2450% (0.80   0.02   0.02) =   0.005%
          QD1   LEU  123 - HN    ALA   64  11.71 +/- 2.45   3.088% *  0.0681% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.849, support = 6.17, residual support = 55.0:
          QD2   LEU   63 - HN    ALA   64   3.41 +/- 1.10  46.176% * 60.5658% (1.00   5.89  54.99) =  65.122%  kept
          QD1   LEU   63 - HN    ALA   64   3.87 +/- 0.75  38.443% * 38.9271% (0.57   6.69  54.99) =  34.847%  kept
          QD1   LEU   73 - HN    ALA   64   9.41 +/- 1.18   4.051% *  0.1164% (0.57   0.02   3.41) =   0.011%
          QG2   VAL   41 - HN    ALA   64  10.00 +/- 1.46   3.014% *  0.1247% (0.61   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    ALA   64   9.56 +/- 1.43   4.096% *  0.0513% (0.25   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ALA   64  12.22 +/- 1.40   1.605% *  0.0845% (0.41   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ALA   64  14.32 +/- 3.30   1.559% *  0.0845% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   64  14.08 +/- 2.47   1.055% *  0.0458% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.25 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   2.02 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.67) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.56 +/- 0.04  96.417% * 99.8321% (0.97  10.0   5.24  42.38) =  99.998%  kept
          HB    THR   26 - HN    LEU   63  17.83 +/- 3.55   1.588% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    LEU   63  14.78 +/- 1.84   1.584% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  22.46 +/- 1.88   0.411% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.682, support = 1.47, residual support = 9.76:
          HA    PHE   60 - HN    LEU   63   3.53 +/- 0.36  82.732% * 68.6647% (0.69   1.50  10.07) =  96.893%  kept
          QB    SER   48 - HN    LEU   63  12.69 +/- 4.31   6.482% * 26.5122% (0.57   0.70   0.02) =   2.931%  kept
          HB    THR   94 - HN    LEU   63  13.08 +/- 3.17   3.353% *  0.9155% (0.69   0.02   0.02) =   0.052%
          QB    SER  117 - HN    LEU   63  13.40 +/- 1.64   1.906% *  1.3210% (0.99   0.02   0.02) =   0.043%
          HA2   GLY   51 - HN    LEU   63  15.36 +/- 3.54   2.032% *  1.1133% (0.84   0.02   0.02) =   0.039%
          HA    LYS+ 121 - HN    LEU   63  15.06 +/- 2.12   1.521% *  1.0186% (0.76   0.02   0.02) =   0.026%
          HA    ALA  120 - HN    LEU   63  13.95 +/- 2.25   1.975% *  0.4546% (0.34   0.02   0.02) =   0.015%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 241.2:
      O   HA    LEU   63 - HN    LEU   63   2.78 +/- 0.06  96.575% * 99.8508% (0.76  10.0   7.54 241.19) =  99.998%  kept
          HB2   HIS   22 - HN    LEU   63  17.26 +/- 4.52   3.234% *  0.0446% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY  101 - HN    LEU   63  22.72 +/- 2.08   0.191% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 42.4:
          HB2   ASP-  62 - HN    LEU   63   3.63 +/- 0.46  94.524% * 99.7489% (0.98   5.24  42.38) =  99.992%  kept
          HB2   PRO   52 - HN    LEU   63  14.47 +/- 3.01   3.524% *  0.1742% (0.45   0.02   0.02) =   0.007%
          QB    ASP- 113 - HN    LEU   63  15.21 +/- 2.13   1.951% *  0.0769% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   3.23 +/- 0.51  97.108% * 98.9511% (0.95   5.24  42.38) =  99.991%  kept
          HG3   MET   96 - HN    LEU   63  14.96 +/- 2.19   1.614% *  0.3686% (0.92   0.02   0.35) =   0.006%
          HB3   ASP-  86 - HN    LEU   63  20.74 +/- 2.26   0.543% *  0.2261% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  23.04 +/- 2.88   0.296% *  0.2900% (0.73   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    LEU   63  21.40 +/- 3.23   0.438% *  0.1642% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.13, residual support = 241.2:
      O   HB2   LEU   63 - HN    LEU   63   2.16 +/- 0.15  85.218% * 98.8228% (0.73  10.0   8.13 241.19) =  99.987%  kept
          HB3   ASP-  44 - HN    LEU   63   7.37 +/- 2.48   3.962% *  0.1137% (0.84   1.0   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LEU   63  11.27 +/- 3.17   1.579% *  0.1349% (0.99   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   63   6.74 +/- 0.88   3.392% *  0.0339% (0.25   1.0   0.02   3.70) =   0.001%
          HB    VAL   42 - HN    LEU   63   9.24 +/- 1.97   1.747% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   63  13.19 +/- 2.69   0.951% *  0.0559% (0.41   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  11.57 +/- 1.72   0.938% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  15.62 +/- 2.42   0.300% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  15.63 +/- 1.76   0.274% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  16.23 +/- 2.33   0.245% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  16.22 +/- 3.19   0.306% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  17.39 +/- 2.60   0.213% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  17.96 +/- 2.52   0.227% *  0.0610% (0.45   1.0   0.02   0.27) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  17.32 +/- 2.59   0.231% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.01 +/- 2.13   0.175% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  23.05 +/- 2.37   0.082% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.74 +/- 2.18   0.159% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 7.6, residual support = 241.1:
          HG    LEU   63 - HN    LEU   63   3.47 +/- 0.50  83.622% * 99.5065% (1.00   7.60 241.19) =  99.966%  kept
          HG3   LYS+ 112 - HN    LEU   63  13.16 +/- 3.42   7.540% *  0.1905% (0.73   0.02   0.02) =   0.017%
          QG2   VAL   24 - HN    LEU   63  15.27 +/- 3.56   4.713% *  0.2571% (0.98   0.02   0.80) =   0.015%
          QG1   VAL  107 - HN    LEU   63  10.47 +/- 1.87   4.124% *  0.0459% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 0 structures by 0.27 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 241.1:
      O   HB3   LEU   63 - HN    LEU   63   3.31 +/- 0.26  65.537% * 99.7743% (0.97  10.0   7.61 241.19) =  99.978%  kept
          QG1   VAL   18 - HN    LEU   63   8.19 +/- 3.02  12.919% *  0.0544% (0.53   1.0   0.02   0.02) =   0.011%
          QG1   VAL   70 - HN    LEU   63   7.20 +/- 1.48  10.862% *  0.0425% (0.41   1.0   0.02   0.02) =   0.007%
          QD1   LEU   71 - HN    LEU   63  11.90 +/- 2.01   5.694% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   63  10.27 +/- 2.16   3.968% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  14.63 +/- 2.17   1.020% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.866, support = 6.98, residual support = 241.1:
          QD1   LEU   63 - HN    LEU   63   3.54 +/- 0.63  43.872% * 47.6237% (0.90   6.44 241.19) =  50.301%  kept
          QD2   LEU   63 - HN    LEU   63   3.66 +/- 0.93  39.747% * 51.9008% (0.84   7.54 241.19) =  49.664%  kept
          QD2   LEU  115 - HN    LEU   63   7.86 +/- 1.64   9.717% *  0.0933% (0.57   0.02   0.02) =   0.022%
          QD1   LEU   73 - HN    LEU   63  11.11 +/- 1.35   2.298% *  0.1478% (0.90   0.02   0.02) =   0.008%
          QG2   VAL   41 - HN    LEU   63  11.91 +/- 1.53   1.278% *  0.0458% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   63  15.01 +/- 2.36   0.633% *  0.0867% (0.53   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   63  13.90 +/- 2.07   0.951% *  0.0509% (0.31   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  15.19 +/- 3.12   0.767% *  0.0254% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.75 +/- 1.52   0.736% *  0.0254% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 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   2.56 +/- 0.49  97.024% * 99.9341% (0.84  10.0   3.83  41.00) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  13.84 +/- 2.86   2.231% *  0.0457% (0.39   1.0   0.02   0.02) =   0.001%
          QB    ASP- 113 - HN    ASP-  62  14.77 +/- 1.63   0.745% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.05 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   2.73 +/- 0.50  97.551% * 99.7231% (0.82  10.0   3.83  41.00) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  15.37 +/- 3.18   1.579% *  0.0973% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    ASP-  62  20.93 +/- 2.58   0.397% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  24.03 +/- 2.56   0.195% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  22.19 +/- 2.68   0.278% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.344, support = 0.781, residual support = 0.487:
          QB    LYS+  66 - HN    ASP-  62   7.18 +/- 1.51  29.745% * 69.4035% (0.32   0.84   0.53) =  92.323%  kept
          HB3   PRO   52 - HN    ASP-  62  13.74 +/- 3.35   9.054% *  4.1438% (0.82   0.02   0.02) =   1.678%  kept
          HG    LEU  123 - HN    ASP-  62  13.06 +/- 1.95   6.487% *  4.1438% (0.82   0.02   0.02) =   1.202%  kept
          HG3   PRO   68 - HN    ASP-  62  12.61 +/- 2.09   7.841% *  2.8338% (0.56   0.02   0.02) =   0.994%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.51 +/- 1.88   7.790% *  2.4801% (0.49   0.02   0.02) =   0.864%  kept
          HB3   ASP- 105 - HN    ASP-  62  15.49 +/- 3.65   5.486% *  2.3047% (0.45   0.02   0.02) =   0.565%  kept
          HB    VAL   41 - HN    ASP-  62  14.61 +/- 2.53   4.960% *  2.4801% (0.49   0.02   0.02) =   0.550%  kept
          HG12  ILE  103 - HN    ASP-  62  17.85 +/- 3.25   3.274% *  3.1809% (0.63   0.02   0.02) =   0.466%  kept
          HG2   PRO   93 - HN    ASP-  62  13.11 +/- 3.29  10.447% *  0.7672% (0.15   0.02   0.02) =   0.358%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.18 +/- 3.23   6.673% *  1.0923% (0.21   0.02   0.02) =   0.326%  kept
          HB    ILE  103 - HN    ASP-  62  19.68 +/- 3.26   2.167% *  2.6569% (0.52   0.02   0.02) =   0.257%  kept
          QB    LYS+  33 - HN    ASP-  62  18.16 +/- 1.90   2.390% *  1.8009% (0.35   0.02   0.02) =   0.192%  kept
          HB3   GLN   90 - HN    ASP-  62  19.89 +/- 3.16   1.830% *  1.4942% (0.29   0.02   0.02) =   0.122%  kept
          QB    LYS+  81 - HN    ASP-  62  19.06 +/- 2.09   1.858% *  1.2179% (0.24   0.02   0.02) =   0.101%  kept
    Distance limit 4.37 A violated in 13 structures by 2.05 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.791, support = 2.75, residual support = 8.07:
          QB    ALA   61 - HN    ASP-  62   2.78 +/- 0.23  81.556% * 78.1913% (0.80   2.79   8.20) =  98.336%  kept
          QG    LYS+  66 - HN    ASP-  62   7.41 +/- 1.65   6.802% * 13.8192% (0.52   0.75   0.53) =   1.450%  kept
          HB3   LEU   67 - HN    ASP-  62   9.74 +/- 1.59   2.299% *  4.5519% (0.69   0.19   0.02) =   0.161%  kept
          QB    ALA  110 - HN    ASP-  62  12.66 +/- 2.16   1.513% *  0.6076% (0.86   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    ASP-  62  12.69 +/- 2.45   2.407% *  0.2498% (0.35   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    ASP-  62  14.43 +/- 1.93   0.853% *  0.6022% (0.85   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    ASP-  62  11.26 +/- 1.82   1.634% *  0.2957% (0.42   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    ASP-  62  13.55 +/- 2.32   1.057% *  0.3197% (0.45   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    ASP-  62  17.84 +/- 3.05   0.408% *  0.6062% (0.86   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ASP-  62  17.77 +/- 2.47   0.412% *  0.4173% (0.59   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.05 +/- 2.69   0.871% *  0.1515% (0.21   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  23.68 +/- 3.34   0.185% *  0.1875% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.41 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 = 0.827, support = 2.42, residual support = 4.98:
          QB    LYS+  65 - HN    LEU   63   4.62 +/- 0.49  46.931% * 46.7736% (0.76   2.68   3.70) =  62.638%  kept
          QB    LYS+  66 - HN    LEU   63   5.64 +/- 0.99  28.969% * 43.9559% (0.95   2.04   7.31) =  36.335%  kept
          HB3   PRO   52 - HN    LEU   63  14.44 +/- 3.54   4.427% *  4.9088% (0.38   0.57   0.02) =   0.620%  kept
          HB2   LEU   71 - HN    LEU   63  12.65 +/- 1.96   3.671% *  2.5794% (0.73   0.16   0.02) =   0.270%  kept
          HG2   PRO   93 - HN    LEU   63  13.20 +/- 3.24   5.519% *  0.4525% (0.99   0.02   0.02) =   0.071%
          HB    VAL   41 - HN    LEU   63  13.71 +/- 2.20   2.266% *  0.3656% (0.80   0.02   0.02) =   0.024%
          HG    LEU  123 - HN    LEU   63  13.65 +/- 2.57   2.729% *  0.1713% (0.38   0.02   0.02) =   0.013%
          HB3   GLN   17 - HN    LEU   63  13.33 +/- 3.11   3.597% *  0.1016% (0.22   0.02   0.02) =   0.010%
          HG12  ILE  103 - HN    LEU   63  17.37 +/- 2.25   1.194% *  0.2953% (0.65   0.02   0.02) =   0.010%
          QB    LYS+ 102 - HN    LEU   63  19.95 +/- 1.90   0.696% *  0.3960% (0.87   0.02   0.02) =   0.008%
    Distance limit 4.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.0, residual support = 41.3:
      O   HA    PHE   60 - HN    ALA   61   3.60 +/- 0.04  87.559% * 99.3945% (0.69  10.0   5.00  41.30) =  99.986%  kept
          QB    SER  117 - HN    ALA   61  13.16 +/- 1.12   1.964% *  0.1434% (0.99   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ALA   61  13.23 +/- 2.64   2.613% *  0.0994% (0.69   1.0   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ALA   61  12.38 +/- 2.56   3.106% *  0.0819% (0.57   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    ALA   61  14.16 +/- 1.27   1.574% *  0.1209% (0.84   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    ALA   61  14.89 +/- 1.69   1.409% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.51 +/- 1.12   1.775% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 2.74, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.77 +/- 0.07  87.402% * 94.4675% (0.95  10.0   2.75  17.88) =  99.413%  kept
          HD3   PRO   58 - HN    ALA   61   6.35 +/- 0.92   8.970% *  5.4151% (0.65   1.0   1.68   0.91) =   0.585%  kept
          HD2   PRO   68 - HN    ALA   61  11.96 +/- 1.93   1.430% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA   61  11.27 +/- 2.54   2.199% *  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 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.84, residual support = 41.2:
          HB2   PHE   60 - HN    ALA   61   3.27 +/- 0.48  88.334% * 97.1757% (0.84   4.85  41.30) =  99.690%  kept
          HB    THR   46 - HN    ALA   61   8.81 +/- 2.56  11.015% *  2.3944% (0.20   0.50   0.02) =   0.306%  kept
          HB2   TRP   87 - HN    ALA   61  18.66 +/- 2.66   0.651% *  0.4299% (0.90   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 41.3:
          HB3   PHE   60 - HN    ALA   61   3.42 +/- 0.73  85.946% * 99.1929% (0.98   5.00  41.30) =  99.956%  kept
          QE    LYS+ 106 - HN    ALA   61  16.47 +/- 3.33   8.179% *  0.3509% (0.87   0.02   0.02) =   0.034%
          HB2   PHE   97 - HN    ALA   61  14.48 +/- 3.41   2.566% *  0.1663% (0.41   0.02   0.02) =   0.005%
          HB3   TRP   27 - HN    ALA   61  14.87 +/- 2.97   2.774% *  0.1518% (0.38   0.02   0.02) =   0.005%
          HB2   ASN   35 - HN    ALA   61  22.45 +/- 2.77   0.535% *  0.1380% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 3.99, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.09 +/- 0.07  90.687% * 99.0576% (0.73  10.0   3.99  17.88) =  99.990%  kept
          HG    LEU   73 - HN    ALA   61  12.53 +/- 2.89   1.887% *  0.1352% (0.99   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ALA   61   9.06 +/- 1.35   1.395% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ALA   61  12.51 +/- 3.53   1.985% *  0.0827% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   61  10.59 +/- 1.89   0.907% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ALA   61  10.02 +/- 1.21   1.021% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.87 +/- 1.65   0.784% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  12.59 +/- 2.29   0.583% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  14.36 +/- 2.49   0.443% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  17.77 +/- 3.93   0.230% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.55 +/- 3.26   0.077% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 39.9:
          HD3   PRO   58 - HN    PHE   59   3.05 +/- 0.69  88.710% * 95.3962% (0.76   6.09  40.08) =  99.559%  kept
          HA    ALA   61 - HN    PHE   59   7.13 +/- 0.38   8.758% *  4.2323% (0.26   0.78   0.75) =   0.436%  kept
          HA    VAL   75 - HN    PHE   59  14.27 +/- 2.20   1.223% *  0.3083% (0.74   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    PHE   59  14.68 +/- 2.44   1.309% *  0.0632% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 4.34, residual support = 57.9:
      O   HB2   PHE   59 - HN    PHE   59   2.34 +/- 0.54  83.084% * 97.4785% (0.76  10.0   4.35  58.01) =  99.775%  kept
          QB    PHE   55 - HN    PHE   59   7.51 +/- 1.10   7.932% *  2.2207% (0.73   1.0   0.48   0.02) =   0.217%  kept
          HB3   CYS   53 - HN    PHE   59   8.44 +/- 1.69   6.268% *  0.0676% (0.53   1.0   0.02   0.02) =   0.005%
          HD3   PRO   93 - HN    PHE   59  13.65 +/- 3.17   0.910% *  0.0853% (0.67   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    PHE   59  11.05 +/- 1.31   1.219% *  0.0597% (0.47   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  14.67 +/- 2.35   0.587% *  0.0882% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 58.0:
      O   HB3   PHE   59 - HN    PHE   59   2.97 +/- 0.53  93.522% * 99.9594% (0.67  10.0   4.97  58.01) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59  11.14 +/- 3.63   5.456% *  0.0178% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    PHE   59  16.11 +/- 2.45   1.022% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.07 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.193, support = 6.58, residual support = 40.0:
      O   HB2   PRO   58 - HN    PHE   59   3.57 +/- 0.48  86.100% * 97.2998% (0.19  10.0   6.59  40.08) =  99.814%  kept
          HB2   GLN  116 - HN    PHE   59   9.47 +/- 1.51   9.073% *  1.5696% (0.64   1.0   0.10   0.35) =   0.170%  kept
          HB3   PHE   97 - HN    PHE   59  15.29 +/- 4.35   2.645% *  0.2680% (0.53   1.0   0.02   0.02) =   0.008%
          QG    GLU-  79 - HN    PHE   59  17.61 +/- 3.04   1.536% *  0.3125% (0.62   1.0   0.02   0.02) =   0.006%
          HB2   GLU- 100 - HN    PHE   59  24.69 +/- 3.40   0.303% *  0.3602% (0.71   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   59  23.62 +/- 2.38   0.343% *  0.1899% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.39 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 = 40.1:
          HG2   PRO   58 - HN    PHE   59   2.93 +/- 0.22  89.911% * 98.7267% (0.76   6.29  40.08) =  99.982%  kept
          HG3   PRO   52 - HN    PHE   59  12.63 +/- 2.37   2.129% *  0.3138% (0.76   0.02   0.02) =   0.008%
          HB2   PRO   93 - HN    PHE   59  11.14 +/- 2.81   3.012% *  0.1316% (0.32   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    PHE   59  10.08 +/- 1.10   2.924% *  0.0561% (0.14   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    PHE   59  23.89 +/- 4.60   0.420% *  0.3194% (0.77   0.02   0.02) =   0.002%
          HG2   MET   11 - HN    PHE   59  31.19 +/- 5.85   0.377% *  0.3201% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  17.12 +/- 2.51   0.563% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  16.15 +/- 2.94   0.664% *  0.0433% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.681, support = 6.19, residual support = 39.6:
      O   HB3   PRO   58 - HN    PHE   59   4.05 +/- 0.31  45.701% * 97.6194% (0.69  10.0   6.29  40.08) =  97.791%  kept
          HB    ILE   56 - HN    PHE   59   4.17 +/- 1.50  49.405% *  2.0356% (0.19   1.0   1.50  20.34) =   2.204%  kept
          HB2   MET   92 - HN    PHE   59  15.91 +/- 3.33   1.099% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    PHE   59  15.28 +/- 3.04   2.538% *  0.0271% (0.19   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    PHE   59  19.48 +/- 2.42   0.485% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  23.80 +/- 4.76   0.301% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.20 +/- 3.82   0.313% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  31.43 +/- 5.69   0.157% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.3:
          QG1   ILE   56 - HN    PHE   59   3.24 +/- 0.74  88.828% * 97.7307% (0.67   4.26  20.34) =  99.967%  kept
          QD    LYS+ 106 - HN    PHE   59  15.95 +/- 4.18   1.525% *  0.4234% (0.62   0.02   0.02) =   0.007%
          HB2   LEU   73 - HN    PHE   59  15.78 +/- 2.80   1.634% *  0.3207% (0.47   0.02   0.02) =   0.006%
          HB3   MET   92 - HN    PHE   59  14.89 +/- 3.16   2.134% *  0.2371% (0.35   0.02   0.02) =   0.006%
          QD    LYS+  99 - HN    PHE   59  18.41 +/- 3.44   0.727% *  0.4417% (0.64   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    PHE   59  20.20 +/- 4.17   0.680% *  0.4041% (0.59   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    PHE   59  15.19 +/- 1.46   1.297% *  0.1804% (0.26   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    PHE   59  12.04 +/- 1.54   2.367% *  0.0816% (0.12   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    PHE   59  18.07 +/- 2.32   0.808% *  0.1804% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 0.749:
          HA    ALA   61 - HN    ALA   57   8.48 +/- 0.95  72.678% * 14.7090% (0.34   0.02   1.27) =  58.120%  kept
          HA    VAL   24 - HN    ALA   57  20.70 +/- 3.94   8.316% * 41.6148% (0.97   0.02   0.02) =  18.815%  kept
          HD2   PRO   68 - HN    ALA   57  16.22 +/- 2.79  14.918% * 22.6869% (0.53   0.02   0.02) =  18.400%  kept
          HA    LYS+  38 - HN    ALA   57  24.26 +/- 3.78   4.088% * 20.9893% (0.49   0.02   0.02) =   4.665%  kept
    Distance limit 3.59 A violated in 20 structures by 4.81 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 0.177, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   8.74 +/- 1.46  30.049% * 85.4066% (0.41   0.20   0.02) =  85.866%  kept
          HB3   CYS   53 - HN    ALA   57   6.88 +/- 1.01  48.486% *  6.9706% (0.34   0.02   0.02) =  11.308%  kept
          HD3   PRO   93 - HN    ALA   57  12.99 +/- 3.63  16.455% *  4.0441% (0.20   0.02   0.02) =   2.226%  kept
          HD3   PRO   68 - HN    ALA   57  16.21 +/- 2.69   5.009% *  3.5788% (0.18   0.02   0.02) =   0.600%  kept
    Distance limit 4.57 A violated in 14 structures by 1.72 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.571, support = 4.78, residual support = 28.8:
          HB    ILE   56 - HN    ALA   57   3.20 +/- 1.13  70.684% * 25.7184% (0.25   5.34  32.58) =  50.350%  kept
          HB3   PRO   58 - HN    ALA   57   5.52 +/- 0.46  24.525% * 73.0564% (0.90   4.21  25.03) =  49.625%  kept
          HB2   MET   92 - HN    ALA   57  15.27 +/- 3.42   1.754% *  0.2807% (0.73   0.02   0.02) =   0.014%
          HB3   MET   96 - HN    ALA   57  16.36 +/- 2.69   1.785% *  0.0964% (0.25   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    ALA   57  20.65 +/- 2.91   0.471% *  0.2189% (0.57   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  24.99 +/- 5.05   0.342% *  0.2034% (0.53   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    ALA   57  24.90 +/- 4.27   0.315% *  0.1451% (0.38   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    ALA   57  32.46 +/- 6.52   0.125% *  0.2807% (0.73   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.85, residual support = 24.2:
      O   QB    ALA   57 - HN    ALA   57   2.78 +/- 0.44  90.516% * 99.4737% (0.92  10.0   4.85  24.21) =  99.992%  kept
          HD2   LYS+  74 - HN    ALA   57  14.14 +/- 4.11   3.889% *  0.1068% (0.99   1.0   0.02   0.02) =   0.005%
          HB3   LEU  123 - HN    ALA   57  14.08 +/- 2.58   1.246% *  0.0697% (0.65   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    ALA   57  11.63 +/- 1.63   1.515% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  12.85 +/- 1.54   1.214% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   57  16.05 +/- 2.04   0.677% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          QD    LYS+  33 - HN    ALA   57  21.77 +/- 2.67   0.259% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.54 +/- 3.81   0.330% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.17 +/- 4.58   0.354% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.33, residual support = 32.6:
          QG2   ILE   56 - HN    ALA   57   3.32 +/- 0.80  89.137% * 97.4848% (0.87   5.34  32.58) =  99.969%  kept
          QB    ALA   91 - HN    ALA   57  14.56 +/- 3.15   1.584% *  0.4065% (0.97   0.02   0.02) =   0.007%
          HG2   LYS+  74 - HN    ALA   57  14.44 +/- 3.55   3.188% *  0.1888% (0.45   0.02   0.02) =   0.007%
          QG2   THR   39 - HN    ALA   57  18.26 +/- 2.57   0.791% *  0.4065% (0.97   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    ALA   57  18.53 +/- 5.09   1.959% *  0.1437% (0.34   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    ALA   57  18.97 +/- 2.87   0.917% *  0.2893% (0.69   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ALA   57  18.08 +/- 2.46   0.888% *  0.2893% (0.69   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HN    ALA   57  26.03 +/- 4.29   0.324% *  0.4129% (0.98   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ALA   57  23.17 +/- 3.68   0.567% *  0.2050% (0.49   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    ALA   57  19.15 +/- 2.91   0.646% *  0.1732% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.62, residual support = 60.9:
      O   HB2   ASN   69 - HD21  ASN   69   3.23 +/- 0.54  88.801% * 99.6854% (0.36  10.0   3.62  60.88) =  99.985%  kept
          QE    LYS+  66 - HD21  ASN   69  10.97 +/- 2.76   8.451% *  0.1287% (0.47   1.0   0.02   0.02) =   0.012%
          HB3   ASN   35 - HD21  ASN   69  17.56 +/- 3.93   1.945% *  0.0811% (0.30   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HD21  ASN   69  20.67 +/- 2.21   0.465% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  23.45 +/- 2.85   0.337% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.309, support = 3.9, residual support = 24.7:
          QG1   VAL   70 - HD21  ASN   69   4.07 +/- 1.06  56.462% * 86.2825% (0.32   4.11  26.53) =  93.226%  kept
          QD1   LEU   71 - HD21  ASN   69   6.97 +/- 2.29  29.499% * 11.7352% (0.19   0.93   0.02) =   6.624%  kept
          HB3   LEU   63 - HD21  ASN   69  11.44 +/- 2.60   5.082% *  0.7411% (0.56   0.02   0.02) =   0.072%
          QG1   VAL   18 - HD21  ASN   69  11.28 +/- 3.51   5.221% *  0.5090% (0.39   0.02   0.02) =   0.051%
          QG1   VAL  108 - HD21  ASN   69  18.99 +/- 4.49   1.886% *  0.4794% (0.36   0.02   0.02) =   0.017%
          QD1   LEU  123 - HD21  ASN   69  16.18 +/- 5.05   1.850% *  0.2528% (0.19   0.02   0.02) =   0.009%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.426, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  13.95 +/- 5.49  17.229% * 19.7883% (0.53   0.02   0.02) =  29.182%  kept
          HA    ASN   35 - HD21  ASN   69  15.18 +/- 3.88  14.378% * 17.4728% (0.47   0.02   0.02) =  21.504%  kept
          HA    ILE   56 - HD21  ASN   69  20.08 +/- 4.42  10.963% * 16.7505% (0.45   0.02   0.02) =  15.718%  kept
          HA    PHE   59 - HD21  ASN   69  15.68 +/- 3.15  14.311% *  8.6000% (0.23   0.02   0.02) =  10.535%  kept
          HA    LEU  123 - HD21  ASN   69  20.62 +/- 7.09   6.606% * 14.3693% (0.39   0.02   0.02) =   8.125%  kept
          HA    LEU   40 - HD21  ASN   69  10.03 +/- 2.83  32.415% *  2.8311% (0.08   0.02   0.02) =   7.855%  kept
          HA    ASP- 113 - HD21  ASN   69  23.60 +/- 4.42   4.098% * 20.1881% (0.54   0.02   0.02) =   7.081%  kept
    Distance limit 4.91 A violated in 15 structures by 3.73 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.957, support = 3.93, residual support = 20.2:
          QB    PHE   55 - HN    ILE   56   3.07 +/- 0.34  59.150% * 60.5226% (0.97   4.28  21.98) =  89.268%  kept
          HD2   ARG+  54 - HN    ILE   56   6.44 +/- 0.92   9.777% * 19.7963% (0.92   1.46   0.02) =   4.826%  kept
          HB3   CYS   53 - HN    ILE   56   5.48 +/- 0.54  12.241% * 10.6180% (0.97   0.75   0.02) =   3.241%  kept
          HB2   PHE   59 - HN    ILE   56   6.00 +/- 1.26  12.557% *  8.4083% (0.76   0.75  20.34) =   2.633%  kept
          HD3   PRO   93 - HN    ILE   56  12.15 +/- 4.38   3.872% *  0.2927% (1.00   0.02   0.02) =   0.028%
          HD3   PRO   68 - HN    ILE   56  17.99 +/- 3.37   0.496% *  0.2908% (0.99   0.02   0.02) =   0.004%
          HD3   PRO   93 - HZ2   TRP   87  16.33 +/- 2.24   0.734% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  19.05 +/- 2.52   0.297% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  20.35 +/- 4.66   0.276% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  19.81 +/- 2.49   0.282% *  0.0097% (0.03   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  20.98 +/- 2.01   0.204% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  25.47 +/- 2.88   0.117% *  0.0118% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.866, support = 5.99, residual support = 124.5:
      O   HB    ILE   56 - HN    ILE   56   3.41 +/- 0.39  41.495% * 94.5779% (0.87  10.0   6.03 125.29) =  99.335%  kept
          HB3   PRO   58 - HN    ILE   56   8.10 +/- 0.93   4.216% *  4.3041% (0.80   1.0   0.99   0.02) =   0.459%  kept
          HG2   ARG+  54 - HN    ILE   56   5.37 +/- 0.87  14.590% *  0.5371% (0.18   1.0   0.56   0.02) =   0.198%  kept
          HB2   MET   92 - HN    ILE   56  14.46 +/- 4.16   1.218% *  0.1031% (0.95   1.0   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ILE   56  16.44 +/- 2.98   0.482% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  22.48 +/- 2.60   0.197% *  0.1088% (1.00   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   87  10.79 +/- 4.04   8.488% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  19.47 +/- 3.90   0.391% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  20.00 +/- 3.34   0.311% *  0.0448% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.08 +/- 4.32   0.111% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.32 +/- 2.41   5.861% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  19.30 +/- 4.46   0.518% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  12.24 +/- 5.42  10.130% *  0.0007% (0.01   1.0   0.02   0.39) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  18.74 +/- 3.47   0.328% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  15.46 +/- 6.24   1.471% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.22 +/- 7.03   0.331% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.78 +/- 1.66   2.745% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.17 +/- 2.55   0.147% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  14.65 +/- 5.43   4.260% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.91 +/- 2.64   0.666% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  23.54 +/- 2.71   0.142% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  21.61 +/- 6.52   0.319% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  21.86 +/- 4.01   0.256% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  17.82 +/- 5.82   0.663% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  21.43 +/- 2.42   0.184% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  21.77 +/- 5.04   0.249% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  24.10 +/- 2.68   0.140% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  32.07 +/- 7.14   0.092% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.14 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.19, residual support = 125.2:
          QG1   ILE   56 - HN    ILE   56   3.35 +/- 0.95  64.888% * 98.0336% (0.87   5.19 125.29) =  99.963%  kept
          HB3   MET   92 - HN    ILE   56  13.54 +/- 3.85   3.227% *  0.1952% (0.45   0.02   0.02) =   0.010%
          HD2   LYS+ 111 - HN    ILE   56  14.18 +/- 3.08   2.483% *  0.1485% (0.34   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    ILE   56  17.80 +/- 3.66   0.794% *  0.3487% (0.80   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    ILE   56  22.02 +/- 3.27   0.492% *  0.3637% (0.84   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    ILE   56  24.03 +/- 3.81   0.531% *  0.3328% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    ILE   56  18.50 +/- 3.16   0.602% *  0.2641% (0.61   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    ILE   56  18.27 +/- 2.97   1.035% *  0.1485% (0.34   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HZ2   TRP   87  11.10 +/- 4.45   7.941% *  0.0151% (0.03   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  14.64 +/- 3.28   1.657% *  0.0672% (0.15   0.02   0.02) =   0.002%
          HB    ILE   89 - HZ2   TRP   87   8.62 +/- 1.15   6.337% *  0.0064% (0.01   0.02  18.68) =   0.001%
          QD    LYS+  99 - HZ2   TRP   87  15.93 +/- 4.93   1.850% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  13.33 +/- 4.05   2.541% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  16.12 +/- 5.21   1.712% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.61 +/- 2.53   1.563% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  18.21 +/- 2.35   0.751% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  20.96 +/- 5.51   1.316% *  0.0064% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  24.94 +/- 3.74   0.277% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.462, support = 0.412, residual support = 0.601:
          QB    ALA   61 - HN    ILE   56   8.60 +/- 0.77   9.525% * 27.7234% (0.38   0.56   1.64) =  31.355%  kept
          HG    LEU  115 - HN    ILE   56   8.76 +/- 1.59   9.986% * 20.9837% (0.38   0.42   0.02) =  24.882%  kept
          HB3   LEU  115 - HN    ILE   56   9.08 +/- 1.86   8.806% * 20.1617% (0.92   0.16   0.02) =  21.080%  kept
          QB    ALA  110 - HN    ILE   56  10.77 +/- 4.31  11.558% * 13.5186% (0.20   0.52   0.41) =  18.553%  kept
          QG    LYS+  66 - HN    ILE   56  13.52 +/- 1.99   3.471% *  1.9246% (0.73   0.02   0.02) =   0.793%  kept
          QB    ALA  120 - HN    ILE   56  12.16 +/- 1.57   4.994% *  0.9947% (0.38   0.02   0.02) =   0.590%  kept
          HG    LEU   73 - HN    ILE   56  18.85 +/- 3.26   1.732% *  2.3769% (0.90   0.02   0.02) =   0.489%  kept
          HG    LEU   40 - HN    ILE   56  19.30 +/- 3.27   1.236% *  2.4466% (0.92   0.02   0.02) =   0.359%  kept
          HG    LEU   67 - HN    ILE   56  17.32 +/- 2.15   1.332% *  2.2138% (0.84   0.02   0.02) =   0.350%  kept
          HG    LEU   80 - HZ2   TRP   87   9.98 +/- 2.15   8.102% *  0.3487% (0.01   0.27   0.02) =   0.335%  kept
          HG    LEU   73 - HZ2   TRP   87  12.94 +/- 4.52   6.163% *  0.3987% (0.04   0.08   0.02) =   0.292%  kept
          HG    LEU   40 - HZ2   TRP   87  15.88 +/- 5.39   2.670% *  0.7828% (0.04   0.15   0.02) =   0.248%  kept
          HB3   LEU   67 - HN    ILE   56  17.34 +/- 2.24   1.217% *  1.3944% (0.53   0.02   0.02) =   0.202%  kept
          HG    LEU   80 - HN    ILE   56  20.44 +/- 4.61   1.318% *  0.5901% (0.22   0.02   0.02) =   0.092%
          HG2   LYS+ 102 - HN    ILE   56  28.40 +/- 3.19   0.302% *  2.5578% (0.97   0.02   0.02) =   0.092%
          HB3   LEU   40 - HN    ILE   56  21.13 +/- 3.96   1.124% *  0.5245% (0.20   0.02   0.02) =   0.070%
          HG12  ILE   19 - HN    ILE   56  21.08 +/- 2.93   1.012% *  0.4089% (0.15   0.02   0.02) =   0.049%
          HG2   LYS+ 102 - HZ2   TRP   87  15.95 +/- 5.54   3.624% *  0.1110% (0.04   0.02   0.02) =   0.048%
          HG    LEU   67 - HZ2   TRP   87  17.68 +/- 5.13   2.314% *  0.0961% (0.04   0.02   0.02) =   0.026%
          HB3   LEU  115 - HZ2   TRP   87  18.45 +/- 2.89   1.403% *  0.1062% (0.04   0.02   0.02) =   0.018%
          QG    LYS+  66 - HZ2   TRP   87  18.30 +/- 2.82   1.592% *  0.0835% (0.03   0.02   0.02) =   0.016%
          QB    ALA   61 - HZ2   TRP   87  15.12 +/- 3.29   2.570% *  0.0432% (0.02   0.02   0.02) =   0.013%
          HB3   LEU   67 - HZ2   TRP   87  18.23 +/- 5.04   1.581% *  0.0605% (0.02   0.02   0.02) =   0.011%
          HG12  ILE   19 - HZ2   TRP   87  18.73 +/- 6.12   5.153% *  0.0177% (0.01   0.02   0.02) =   0.011%
          QB    ALA  110 - HZ2   TRP   87  15.32 +/- 2.47   2.827% *  0.0228% (0.01   0.02   0.02) =   0.008%
          HG    LEU  115 - HZ2   TRP   87  19.33 +/- 2.81   1.366% *  0.0432% (0.02   0.02   0.02) =   0.007%
          QB    ALA  120 - HZ2   TRP   87  19.39 +/- 3.17   1.159% *  0.0432% (0.02   0.02   0.02) =   0.006%
          HB3   LEU   40 - HZ2   TRP   87  17.67 +/- 5.50   1.864% *  0.0228% (0.01   0.02   0.02) =   0.005%
    Distance limit 4.39 A violated in 13 structures by 1.74 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 125.3:
          QG2   ILE   56 - HN    ILE   56   2.91 +/- 0.66  73.866% * 98.4696% (1.00   6.72 125.29) =  99.986%  kept
          QB    ALA   91 - HN    ILE   56  13.99 +/- 3.61   1.723% *  0.2129% (0.73   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    ILE   56  19.48 +/- 5.22   1.003% *  0.1896% (0.65   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ILE   56  19.79 +/- 2.29   0.423% *  0.2773% (0.95   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ILE   56  20.10 +/- 2.38   0.356% *  0.2129% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ILE   56  15.85 +/- 3.49   1.022% *  0.0580% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   56  28.20 +/- 4.19   0.164% *  0.2773% (0.95   0.02   0.02) =   0.001%
          QB    ALA   34 - HZ2   TRP   87  13.80 +/- 5.42   3.016% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  20.99 +/- 2.68   0.324% *  0.1100% (0.38   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  14.76 +/- 4.39   2.520% *  0.0082% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.72 +/- 2.21   1.965% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.27 +/- 3.61   0.234% *  0.0653% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  16.13 +/- 4.91   1.631% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.35 +/- 2.56   0.288% *  0.0513% (0.18   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  18.03 +/- 6.90   4.861% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.83 +/- 4.19   3.720% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  18.95 +/- 5.92   1.323% *  0.0048% (0.02   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  17.83 +/- 2.19   0.412% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  22.30 +/- 6.58   0.433% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  17.63 +/- 5.22   0.717% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.91, support = 5.63, residual support = 84.7:
          HB3   CYS   53 - HN    ARG+  54   3.83 +/- 0.47  29.045% * 36.5199% (0.94   5.53  31.64) =  42.433%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.33 +/- 0.90  23.718% * 43.8728% (0.95   6.58 169.52) =  41.628%  kept
          QB    PHE   55 - HN    ARG+  54   4.23 +/- 0.23  21.281% * 18.3984% (0.76   3.45   4.32) =  15.664%  kept
          HB2   PHE   59 - HN    ASP-  62   5.56 +/- 0.44   9.765% *  0.4921% (0.09   0.75   6.41) =   0.192%  kept
          HB3   CYS   53 - HN    ASP-  62   9.92 +/- 2.70   3.785% *  0.3225% (0.18   0.26   0.02) =   0.049%
          HD3   PRO   93 - HN    ARG+  54  11.76 +/- 4.71   4.241% *  0.1196% (0.85   0.02   0.02) =   0.020%
          HB2   PHE   59 - HN    ARG+  54   9.22 +/- 1.91   2.878% *  0.0701% (0.50   0.02   0.02) =   0.008%
          HD3   PRO   68 - HN    ARG+  54  19.15 +/- 4.89   0.442% *  0.1156% (0.82   0.02   0.02) =   0.002%
          QB    PHE   55 - HN    ASP-  62  10.86 +/- 1.51   1.717% *  0.0200% (0.14   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    ASP-  62  10.95 +/- 1.51   1.430% *  0.0216% (0.15   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  14.18 +/- 3.25   0.980% *  0.0224% (0.16   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    ASP-  62  13.69 +/- 2.25   0.717% *  0.0249% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.6, residual support = 169.5:
      O   HB2   ARG+  54 - HN    ARG+  54   2.47 +/- 0.41  83.927% * 96.9633% (0.26  10.0   6.60 169.52) =  99.982%  kept
          HB2   LYS+ 111 - HN    ARG+  54  14.61 +/- 2.93   1.238% *  0.2793% (0.76   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    ARG+  54  13.18 +/- 2.69   1.427% *  0.1974% (0.54   1.0   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    ARG+  54  20.96 +/- 6.09   0.497% *  0.3457% (0.94   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    ASP-  62  14.01 +/- 3.84   1.968% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ASP-  62  10.33 +/- 1.01   1.875% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  22.37 +/- 3.61   0.235% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  14.31 +/- 1.63   0.664% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  13.10 +/- 1.56   0.736% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  23.53 +/- 2.90   0.139% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ARG+  54  18.43 +/- 3.32   0.276% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  24.59 +/- 2.98   0.124% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  20.36 +/- 6.02   0.648% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.51 +/- 4.98   0.146% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.70 +/- 2.76   0.134% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  16.07 +/- 1.73   0.456% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  16.33 +/- 1.88   0.417% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  17.30 +/- 2.83   0.429% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.83 +/- 4.44   0.077% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.68 +/- 1.95   0.936% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.38 +/- 1.81   0.393% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  21.48 +/- 2.85   0.223% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.73 +/- 1.19   0.648% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.37 +/- 2.91   0.420% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.51 +/- 2.21   0.979% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.95 +/- 1.58   0.654% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  21.88 +/- 3.40   0.192% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.42 +/- 2.99   0.142% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.908, support = 6.43, residual support = 161.7:
          HG2   ARG+  54 - HN    ARG+  54   3.26 +/- 0.57  53.903% * 81.9762% (0.94   6.59 169.52) =  95.362%  kept
          HB3   PRO   52 - HN    ARG+  54   5.21 +/- 0.27  14.938% * 13.1990% (0.29   3.40   1.85) =   4.255%  kept
          HB    ILE   56 - HN    ARG+  54   7.16 +/- 0.73   6.505% *  2.4845% (0.46   0.41   0.02) =   0.349%  kept
          HG    LEU  123 - HN    ARG+  54  15.88 +/- 4.82   4.023% *  0.0775% (0.29   0.02   0.02) =   0.007%
          QB    LYS+  81 - HN    ARG+  54  18.85 +/- 4.09   0.772% *  0.2319% (0.87   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   8.38 +/- 1.60   6.988% *  0.0229% (0.09   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    ARG+  54  18.65 +/- 4.10   0.610% *  0.2424% (0.91   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ARG+  54  20.44 +/- 5.96   0.535% *  0.2424% (0.91   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ARG+  54  17.61 +/- 2.50   0.475% *  0.2253% (0.85   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ARG+  54  20.57 +/- 2.97   0.377% *  0.2506% (0.94   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  12.61 +/- 2.09   1.660% *  0.0454% (0.17   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    ASP-  62  12.51 +/- 1.88   1.329% *  0.0466% (0.18   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  14.18 +/- 3.23   1.127% *  0.0422% (0.16   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ARG+  54  24.75 +/- 2.57   0.186% *  0.2462% (0.93   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.12 +/- 2.61   0.163% *  0.2490% (0.94   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASP-  62  15.49 +/- 3.65   0.845% *  0.0469% (0.18   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP-  62  18.16 +/- 1.90   0.439% *  0.0466% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  13.06 +/- 1.95   1.312% *  0.0145% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  13.74 +/- 3.35   1.310% *  0.0145% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  19.68 +/- 3.26   0.388% *  0.0461% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  19.06 +/- 2.09   0.352% *  0.0434% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  19.89 +/- 3.16   0.332% *  0.0454% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  28.78 +/- 4.49   0.138% *  0.0857% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.32 +/- 2.87   0.229% *  0.0497% (0.19   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  20.33 +/- 3.27   0.392% *  0.0160% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.21 +/- 1.89   0.669% *  0.0093% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.177, support = 2.7, residual support = 7.9:
          QB    ALA   61 - HN    ASP-  62   2.78 +/- 0.23  71.761% * 53.0056% (0.16   2.79   8.20) =  96.215%  kept
          QB    ALA  110 - HN    ARG+  54  11.69 +/- 4.43   4.368% * 16.8278% (0.95   0.15   0.02) =   1.859%  kept
          QG    LYS+  66 - HN    ASP-  62   7.41 +/- 1.65   5.990% *  9.3680% (0.11   0.75   0.53) =   1.419%  kept
          HB3   LEU   67 - HN    ASP-  62   9.74 +/- 1.59   2.015% *  3.0857% (0.14   0.19   0.02) =   0.157%  kept
          QB    ALA   61 - HN    ARG+  54  10.24 +/- 0.86   1.573% *  2.0320% (0.87   0.02   0.02) =   0.081%
          QG    LYS+  66 - HN    ARG+  54  14.32 +/- 3.70   1.806% *  1.3351% (0.57   0.02   0.02) =   0.061%
          HG    LEU   80 - HN    ARG+  54  19.79 +/- 4.76   0.806% *  2.1963% (0.94   0.02   0.02) =   0.045%
          HB2   LEU   80 - HN    ARG+  54  19.68 +/- 4.33   0.892% *  1.5120% (0.65   0.02   0.02) =   0.034%
          HB3   LYS+  74 - HN    ARG+  54  17.22 +/- 3.38   0.655% *  1.0714% (0.46   0.02   0.02) =   0.018%
          HD3   LYS+ 121 - HN    ARG+  54  18.48 +/- 3.78   0.586% *  1.1581% (0.50   0.02   0.02) =   0.017%
          HB3   LEU   67 - HN    ARG+  54  18.43 +/- 3.49   0.379% *  1.7626% (0.76   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    ASP-  62  12.66 +/- 2.16   1.332% *  0.4119% (0.18   0.02   0.02) =   0.014%
          HG12  ILE   19 - HN    ARG+  54  22.05 +/- 2.93   0.205% *  2.1817% (0.94   0.02   0.02) =   0.011%
          HG    LEU   73 - HN    ASP-  62  12.69 +/- 2.45   2.122% *  0.1693% (0.07   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    ASP-  62  14.43 +/- 1.93   0.751% *  0.4082% (0.18   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    ARG+  54  19.73 +/- 3.07   0.323% *  0.9049% (0.39   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HN    ASP-  62  11.26 +/- 1.82   1.439% *  0.2005% (0.09   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    ASP-  62  13.55 +/- 2.32   0.931% *  0.2167% (0.09   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    ARG+  54  20.78 +/- 2.57   0.325% *  0.5489% (0.24   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    ASP-  62  17.84 +/- 3.05   0.360% *  0.4110% (0.18   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ASP-  62  17.77 +/- 2.47   0.363% *  0.2829% (0.12   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.05 +/- 2.69   0.768% *  0.1027% (0.04   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  29.64 +/- 3.18   0.086% *  0.6794% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  23.68 +/- 3.34   0.163% *  0.1271% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.22 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 = 0.456, support = 2.83, residual support = 10.9:
      O   HA2   GLY   51 - HN    GLY   51   2.72 +/- 0.26  39.468% * 83.6644% (0.49  10.0   2.21  10.14) =  79.184%  kept
          HD2   PRO   52 - HN    GLY   51   2.41 +/- 0.65  56.946% * 15.2357% (0.34   1.0   5.20  13.78) =  20.805%  kept
          QB    SER   48 - HN    GLY   51   7.47 +/- 0.86   2.261% *  0.1314% (0.76   1.0   0.02   0.02) =   0.007%
          HA    ALA  120 - HN    GLY   51  19.96 +/- 4.53   0.228% *  0.1626% (0.95   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    GLY   51  17.79 +/- 4.23   0.204% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  14.42 +/- 1.91   0.253% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  18.87 +/- 3.24   0.143% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    GLY   51  21.93 +/- 4.57   0.122% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  26.52 +/- 4.65   0.046% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  17.04 +/- 2.03   0.163% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  19.72 +/- 3.37   0.125% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.70 +/- 4.69   0.042% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 7.78:
      O   QB    CYS   50 - HN    CYS   50   2.81 +/- 0.32  91.237% * 99.6280% (0.69  10.0   1.58   7.78) =  99.987%  kept
          HB3   ASP-  78 - HN    CYS   50  13.50 +/- 5.35   5.807% *  0.1535% (0.84   1.0   0.02   0.02) =   0.010%
          QE    LYS+  74 - HN    CYS   50  12.85 +/- 2.34   1.381% *  0.1334% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   ASN   69 - HN    CYS   50  22.01 +/- 5.83   0.645% *  0.0567% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  19.00 +/- 5.25   0.929% *  0.0284% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.05, residual support = 7.13:
          QB    ALA   47 - HN    CYS   50   3.04 +/- 1.18  90.319% * 97.7338% (0.57   2.06   7.13) =  99.904%  kept
          QB    ALA   64 - HN    CYS   50  12.90 +/- 2.29   4.725% *  1.2193% (0.73   0.02   0.02) =   0.065%
          QG1   VAL   42 - HN    CYS   50  13.59 +/- 1.95   2.803% *  0.7528% (0.45   0.02   0.02) =   0.024%
          HG2   LYS+ 112 - HN    CYS   50  14.33 +/- 3.03   2.153% *  0.2941% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.294, support = 3.45, residual support = 14.4:
      O   HA    SER   48 - HN    TRP   49   3.49 +/- 0.07  37.672% * 70.4116% (0.22  10.0   3.24  14.36) =  68.336%  kept
          QB    SER   48 - HN    TRP   49   3.30 +/- 0.39  44.252% * 27.7046% (0.45   1.0   3.91  14.36) =  31.584%  kept
          HD2   PRO   52 - HN    TRP   49   6.31 +/- 1.09   9.074% *  0.2046% (0.65   1.0   0.02   2.93) =   0.048%
          HA    LYS+  65 - HN    TRP   49  15.96 +/- 4.66   1.243% *  0.3135% (0.99   1.0   0.02   0.02) =   0.010%
          HA2   GLY   51 - HN    TRP   49   7.19 +/- 0.76   4.831% *  0.0704% (0.22   1.0   0.02   0.02) =   0.009%
          QB    SER   85 - HN    TRP   49  16.80 +/- 3.41   0.566% *  0.3052% (0.97   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    TRP   49  12.78 +/- 1.16   0.868% *  0.1079% (0.34   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    TRP   49  21.60 +/- 5.26   0.389% *  0.2172% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    TRP   49  17.86 +/- 3.21   0.458% *  0.1300% (0.41   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    TRP   49  24.89 +/- 5.21   0.160% *  0.3052% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    TRP   49  27.67 +/- 4.68   0.241% *  0.1418% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    TRP   49  23.28 +/- 4.89   0.246% *  0.0879% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 85.3:
      O   HB3   TRP   49 - HN    TRP   49   3.00 +/- 0.35  98.263% * 99.8958% (0.80  10.0   4.11  85.26) =  99.998%  kept
          HB3   PHE   59 - HN    TRP   49  13.92 +/- 2.82   1.737% *  0.1042% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 4.07 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 = 0.398, support = 2.45, residual support = 9.15:
      O   QB    SER   48 - HN    SER   48   2.30 +/- 0.22  59.396% * 66.2308% (0.45  10.0   2.40   9.15) =  77.529%  kept
      O   HA    SER   48 - HN    SER   48   2.78 +/- 0.04  34.651% * 32.8893% (0.22  10.0   2.61   9.15) =  22.460%  kept
          HD2   PRO   52 - HN    SER   48   7.86 +/- 1.15   2.002% *  0.0956% (0.65   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    SER   48  14.74 +/- 5.20   1.182% *  0.1464% (0.99   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    SER   48  15.60 +/- 3.35   0.360% *  0.1426% (0.97   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.22 +/- 0.70   1.031% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  11.33 +/- 1.25   0.571% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    SER   48  21.40 +/- 5.04   0.239% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  16.53 +/- 3.06   0.300% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  23.70 +/- 5.36   0.079% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.16 +/- 4.29   0.084% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  22.92 +/- 4.55   0.106% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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   3.03 +/- 0.32  92.333% * 99.1184% (0.90   4.07   6.26) =  99.976%  kept
          QG1   VAL   42 - HN    SER   48  12.59 +/- 1.97   2.522% *  0.4346% (0.80   0.02   0.02) =   0.012%
          QB    ALA   64 - HN    SER   48  11.87 +/- 2.73   3.437% *  0.2037% (0.38   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HN    SER   48  15.71 +/- 3.92   1.708% *  0.2433% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.65 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 = 0.815, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.41 +/- 2.80  69.682% * 52.2208% (0.84   0.02   0.02) =  71.526%  kept
          HB2   TRP   87 - HN    ALA   47  15.16 +/- 1.23  30.318% * 47.7792% (0.76   0.02   0.02) =  28.474%  kept
    Distance limit 4.26 A violated in 20 structures by 5.72 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 1.49, residual support = 7.11:
          QB    CYS   50 - HN    ALA   47   4.11 +/- 0.70  69.425% * 96.8729% (0.97   1.50   7.13) =  99.648%  kept
          HB3   ASP-  78 - HN    ALA   47  11.23 +/- 4.18  20.320% *  0.6515% (0.49   0.02   0.02) =   0.196%  kept
          QE    LYS+  74 - HN    ALA   47  10.39 +/- 1.76   6.290% *  1.3119% (0.98   0.02   0.02) =   0.122%  kept
          HB3   ASN   69 - HN    ALA   47  20.27 +/- 4.42   1.963% *  0.8658% (0.65   0.02   0.02) =   0.025%
          HB2   PHE   72 - HN    ALA   47  14.80 +/- 1.55   2.001% *  0.2980% (0.22   0.02   0.02) =   0.009%
    Distance limit 4.01 A violated in 0 structures by 0.22 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 3.2, residual support = 11.2:
          QG2   THR   46 - HN    ALA   47   3.14 +/- 0.66  83.031% * 97.5661% (0.97   3.20  11.18) =  99.899%  kept
          QG1   VAL   43 - HN    ALA   47  10.75 +/- 1.75   7.443% *  0.4341% (0.69   0.02   0.02) =   0.040%
          QD2   LEU  104 - HN    ALA   47  17.42 +/- 3.28   5.477% *  0.5278% (0.84   0.02   0.02) =   0.036%
          QG2   VAL   18 - HN    ALA   47  12.83 +/- 3.35   2.224% *  0.5667% (0.90   0.02   0.02) =   0.016%
          QD1   ILE   19 - HN    ALA   47  16.64 +/- 1.88   0.831% *  0.5978% (0.95   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    ALA   47  16.24 +/- 1.66   0.994% *  0.3076% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.31, residual support = 10.7:
      O   QB    ALA   47 - HN    ALA   47   2.36 +/- 0.18  95.975% * 99.7622% (0.57  10.0   2.31  10.73) =  99.996%  kept
          QB    ALA   64 - HN    ALA   47  10.65 +/- 1.92   1.700% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  10.87 +/- 0.99   1.194% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    ALA   47  12.75 +/- 3.33   1.131% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.22, residual support = 34.1:
      O   HB    THR   46 - HN    THR   46   3.27 +/- 0.38  91.839% * 99.3656% (0.25  10.0   3.22  34.15) =  99.983%  kept
          HA    LYS+ 112 - HN    THR   46  13.16 +/- 2.59   2.342% *  0.3045% (0.76   1.0   0.02   0.02) =   0.008%
          HB2   HIS   22 - HN    THR   46  14.65 +/- 3.45   4.899% *  0.1359% (0.34   1.0   0.02   0.02) =   0.007%
          HB2   HIS  122 - HN    THR   46  18.05 +/- 2.95   0.921% *  0.1940% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.573, support = 3.45, residual support = 9.92:
          QG2   THR   77 - HN    THR   46   4.76 +/- 3.23  49.966% * 74.9517% (0.61   3.63  10.96) =  90.404%  kept
          HB3   ASP-  44 - HN    THR   46   5.83 +/- 0.90  25.406% * 14.4893% (0.22   1.91   0.18) =   8.886%  kept
          QB    ALA   88 - HN    THR   46  11.86 +/- 1.36   2.914% *  7.9722% (0.95   0.25   0.02) =   0.561%  kept
          HB3   LEU   80 - HN    THR   46  10.13 +/- 3.17  11.250% *  0.2802% (0.41   0.02   0.02) =   0.076%
          HB2   LEU   63 - HN    THR   46  10.50 +/- 3.04   7.568% *  0.2104% (0.31   0.02   0.02) =   0.038%
          HG2   LYS+ 111 - HN    THR   46  15.60 +/- 1.94   1.163% *  0.4410% (0.65   0.02   0.02) =   0.012%
          HG2   LYS+  99 - HN    THR   46  20.71 +/- 1.96   0.692% *  0.6113% (0.90   0.02   0.02) =   0.010%
          HB2   LEU   31 - HN    THR   46  18.28 +/- 2.89   0.766% *  0.3859% (0.57   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    THR   46  23.91 +/- 1.75   0.275% *  0.6579% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.21 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.872, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.77 +/- 1.63  36.363% * 32.0586% (0.99   0.02   0.02) =  45.975%  kept
          QD1   ILE  119 - HN    THR   46  11.34 +/- 1.96  31.801% * 25.8997% (0.80   0.02   0.02) =  32.483%  kept
          HB2   LEU  104 - HN    THR   46  17.07 +/- 2.04  10.347% * 32.0586% (0.99   0.02   0.02) =  13.082%  kept
          HG3   LYS+ 112 - HN    THR   46  14.43 +/- 3.65  21.488% *  9.9831% (0.31   0.02   0.02) =   8.460%  kept
    Distance limit 4.71 A violated in 20 structures by 4.22 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.33, residual support = 34.0:
          QG2   THR   46 - HN    THR   46   2.59 +/- 0.43  77.893% * 88.2982% (0.97   3.35  34.15) =  99.550%  kept
          QG2   VAL   18 - HN    THR   46  10.95 +/- 3.64   2.288% *  9.8629% (1.00   0.36   0.02) =   0.327%  kept
          QG1   VAL   43 - HN    THR   46   7.61 +/- 1.40  14.031% *  0.5172% (0.95   0.02   0.02) =   0.105%  kept
          QG1   VAL   41 - HN    THR   46  13.34 +/- 1.23   0.844% *  0.4378% (0.80   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    THR   46  15.14 +/- 2.28   1.151% *  0.2877% (0.53   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    THR   46  14.32 +/- 1.88   0.657% *  0.3756% (0.69   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    THR   46   9.17 +/- 1.45   2.588% *  0.0844% (0.15   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    THR   46  15.96 +/- 2.80   0.549% *  0.1363% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.23 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 = 1.64, residual support = 1.51:
          QG1   VAL   75 - HN    THR   46   4.63 +/- 2.11  75.852% * 99.0061% (0.92   1.65   1.51) =  99.681%  kept
          QD1   LEU  115 - HN    THR   46   9.96 +/- 2.62  24.148% *  0.9939% (0.76   0.02   0.02) =   0.319%  kept
    Distance limit 4.55 A violated in 3 structures by 0.66 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.43, residual support = 27.3:
          HB    THR   94 - HN    PHE   45   3.77 +/- 0.48  71.246% * 94.4223% (0.65   3.44  27.34) =  99.746%  kept
          HA    LYS+  65 - HN    PHE   45  11.35 +/- 3.73  11.794% *  0.7825% (0.92   0.02   0.02) =   0.137%  kept
          QB    SER   48 - HN    PHE   45  10.74 +/- 0.79   3.397% *  0.6478% (0.76   0.02   0.02) =   0.033%
          QB    SER   85 - HN    PHE   45  13.22 +/- 1.34   2.013% *  0.8181% (0.97   0.02   0.02) =   0.024%
          HA2   GLY   16 - HN    PHE   45  19.85 +/- 4.47   0.931% *  0.8181% (0.97   0.02   0.02) =   0.011%
          HD2   PRO   52 - HN    PHE   45  12.41 +/- 1.90   2.634% *  0.2892% (0.34   0.02   0.02) =   0.011%
          HA    ALA  120 - HN    PHE   45  17.24 +/- 2.40   0.903% *  0.8019% (0.95   0.02   0.02) =   0.011%
          HA2   GLY   51 - HN    PHE   45  15.19 +/- 1.21   1.316% *  0.4126% (0.49   0.02   0.02) =   0.008%
          QB    SER  117 - HN    PHE   45  13.18 +/- 1.65   2.173% *  0.2114% (0.25   0.02   0.02) =   0.007%
          HA    LYS+ 121 - HN    PHE   45  17.87 +/- 2.78   0.855% *  0.4799% (0.57   0.02   0.02) =   0.006%
          HA    ALA   88 - HN    PHE   45  12.53 +/- 1.12   2.175% *  0.1485% (0.18   0.02   0.11) =   0.005%
          HA    GLN   32 - HN    PHE   45  20.26 +/- 1.95   0.564% *  0.1678% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.63, residual support = 80.1:
      O   HB2   PHE   45 - HN    PHE   45   2.78 +/- 0.55  95.983% * 99.8561% (0.99  10.0   3.63  80.13) =  99.997%  kept
          QE    LYS+ 111 - HN    PHE   45  13.32 +/- 2.26   2.003% *  0.0988% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   CYS   21 - HN    PHE   45  13.36 +/- 2.66   2.014% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.96, residual support = 80.1:
      O   HB3   PHE   45 - HN    PHE   45   3.10 +/- 0.61  74.939% * 99.6079% (0.87  10.0   3.96  80.13) =  99.980%  kept
          HB3   ASP-  62 - HN    PHE   45  10.30 +/- 4.23  12.408% *  0.0431% (0.38   1.0   0.02   0.02) =   0.007%
          QE    LYS+ 112 - HN    PHE   45  11.88 +/- 2.76   3.887% *  0.0996% (0.87   1.0   0.02   0.02) =   0.005%
          HB    VAL  107 - HN    PHE   45   7.94 +/- 0.89   6.647% *  0.0515% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   ASP-  86 - HN    PHE   45  12.91 +/- 2.06   1.788% *  0.0919% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   45  20.41 +/- 2.06   0.330% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.453, support = 3.76, residual support = 17.0:
          HB3   ASP-  44 - HN    PHE   45   3.66 +/- 0.56  46.293% * 51.7567% (0.49   4.10  19.10) =  82.480%  kept
          QG2   THR   77 - HN    PHE   45   6.17 +/- 2.25  17.565% * 20.6148% (0.31   2.58  10.17) =  12.466%  kept
          HB3   PRO   93 - HN    PHE   45   6.22 +/- 1.34  14.991% *  5.6423% (0.15   1.41   0.13) =   2.912%  kept
          QB    ALA   88 - HN    PHE   45  10.76 +/- 1.48   2.354% * 12.7709% (0.69   0.72   0.11) =   1.035%  kept
          QB    ALA   84 - HN    PHE   45   8.71 +/- 1.48   4.382% *  6.2713% (0.18   1.38   0.59) =   0.946%  kept
          HB2   LEU   63 - HN    PHE   45   9.99 +/- 2.76   6.570% *  0.3146% (0.61   0.02   0.02) =   0.071%
          HB3   LEU   80 - HN    PHE   45  10.80 +/- 2.62   3.143% *  0.3766% (0.73   0.02   0.02) =   0.041%
          HG2   LYS+ 111 - HN    PHE   45  14.06 +/- 1.75   0.944% *  0.4788% (0.92   0.02   0.02) =   0.016%
          HB2   LEU   31 - HN    PHE   45  16.84 +/- 2.40   0.633% *  0.4499% (0.87   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    PHE   45  12.27 +/- 1.92   2.031% *  0.1293% (0.25   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    PHE   45  17.68 +/- 1.02   0.492% *  0.5175% (1.00   0.02   0.02) =   0.009%
          HG2   LYS+  38 - HN    PHE   45  21.86 +/- 0.77   0.238% *  0.5005% (0.97   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    PHE   45  19.61 +/- 2.59   0.363% *  0.1769% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.86, support = 1.03, residual support = 9.68:
          QD1   ILE   89 - HN    PHE   45   5.46 +/- 1.91  58.349% * 51.2128% (0.80   1.12  13.31) =  66.872%  kept
          QG2   VAL   83 - HN    PHE   45   7.75 +/- 1.89  30.730% * 47.8357% (0.98   0.86   2.38) =  32.896%  kept
          QD2   LEU   31 - HN    PHE   45  12.05 +/- 2.11  10.922% *  0.9515% (0.84   0.02   0.02) =   0.233%  kept
    Distance limit 4.40 A violated in 2 structures by 0.86 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.09, residual support = 12.4:
          HB3   PHE   45 - HN    THR   46   3.85 +/- 0.49  67.400% * 98.4413% (1.00   4.10  12.38) =  99.885%  kept
          QE    LYS+ 112 - HN    THR   46  12.33 +/- 3.20   9.228% *  0.4803% (1.00   0.02   0.02) =   0.067%
          HB    VAL  107 - HN    THR   46  11.28 +/- 1.26   3.187% *  0.3854% (0.80   0.02   0.02) =   0.018%
          HB3   ASP-  62 - HN    THR   46  10.83 +/- 4.36  15.778% *  0.0651% (0.14   0.02   0.02) =   0.015%
          HB3   ASP-  86 - HN    THR   46  13.76 +/- 2.61   3.202% *  0.2158% (0.45   0.02   0.02) =   0.010%
          HG2   GLU-  29 - HN    THR   46  21.03 +/- 2.95   0.642% *  0.2920% (0.61   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    THR   46  21.15 +/- 2.36   0.563% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.744, residual support = 8.05:
          HN    CYS   50 - HN    CYS   53   5.07 +/- 0.31  97.432% * 77.1198% (0.87  1.00   0.75   8.12) =  99.224%  kept
        T HN    VAL   83 - HN    CYS   53  19.58 +/- 3.27   2.568% * 22.8802% (0.97 10.00   0.02   0.02) =   0.776%  kept
    Distance limit 4.83 A violated in 0 structures by 0.29 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 54.8:
      O   HA    PRO   52 - HN    CYS   53   3.44 +/- 0.04  96.133% * 99.8358% (0.61  10.0   7.18  54.77) =  99.993%  kept
          HA    LYS+ 111 - HN    CYS   53  12.58 +/- 3.82   3.867% *  0.1642% (1.00   1.0   0.02   0.02) =   0.007%
    Distance limit 4.64 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  98.464% * 99.7036% (0.90  10.0   4.77  44.07) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  15.42 +/- 1.65   0.625% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  20.63 +/- 2.75   0.293% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  25.25 +/- 3.74   0.165% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.18 +/- 4.06   0.181% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  28.70 +/- 3.59   0.121% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  25.67 +/- 3.22   0.151% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.354, support = 7.78, residual support = 50.1:
          HD2   PRO   52 - HN    CYS   53   2.30 +/- 0.07  81.588% * 60.8660% (0.34   8.19  54.77) =  91.355%  kept
          HA2   GLY   51 - HN    CYS   53   4.38 +/- 0.32  12.881% * 36.3469% (0.49   3.43   0.29) =   8.613%  kept
          QB    SER   48 - HN    CYS   53   8.46 +/- 1.26   2.376% *  0.3329% (0.76   0.02   0.02) =   0.015%
          HA    ALA  120 - HN    CYS   53  16.76 +/- 4.24   0.821% *  0.4120% (0.95   0.02   0.02) =   0.006%
          HA    LYS+  65 - HN    CYS   53  16.10 +/- 3.70   0.482% *  0.4021% (0.92   0.02   0.02) =   0.004%
          HB    THR   94 - HN    CYS   53  13.14 +/- 2.49   0.582% *  0.2818% (0.65   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    CYS   53  18.77 +/- 4.11   0.337% *  0.2466% (0.57   0.02   0.02) =   0.002%
          QB    SER   85 - HN    CYS   53  19.00 +/- 2.99   0.191% *  0.4203% (0.97   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  14.48 +/- 1.54   0.376% *  0.1086% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  25.03 +/- 3.79   0.087% *  0.4203% (0.97   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYS   53  19.44 +/- 3.53   0.195% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.24 +/- 3.62   0.082% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.953, support = 4.98, residual support = 44.8:
      O   HB2   CYS   53 - HN    CYS   53   2.58 +/- 0.44  68.677% * 84.9029% (0.98  10.0   4.90  44.07) =  93.466%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.02  27.358% * 14.8904% (0.57   1.0   6.07  54.77) =   6.530%  kept
          HD2   PRO   58 - HN    CYS   53   8.86 +/- 1.87   3.475% *  0.0560% (0.65   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    CYS   53  20.17 +/- 2.83   0.267% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  27.92 +/- 4.26   0.126% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.99 +/- 2.81   0.097% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 5.92, residual support = 42.8:
      O   HB3   CYS   53 - HN    CYS   53   2.86 +/- 0.56  63.222% * 75.8104% (0.97  10.0   6.07  44.07) =  95.190%  kept
          HD2   ARG+  54 - HN    CYS   53   6.64 +/- 1.23   8.199% * 15.5948% (0.92   1.0   4.30  31.64) =   2.539%  kept
          QB    PHE   55 - HN    CYS   53   5.00 +/- 0.39  15.581% *  6.2158% (0.97   1.0   1.64   0.02) =   1.923%  kept
          HD3   PRO   93 - HN    CYS   53   9.81 +/- 4.91   7.661% *  2.2411% (1.00   1.0   0.57   0.02) =   0.341%  kept
          HB2   PHE   59 - HN    CYS   53   9.52 +/- 2.23   4.492% *  0.0600% (0.76   1.0   0.02   0.02) =   0.005%
          HD3   PRO   68 - HN    CYS   53  19.03 +/- 5.34   0.845% *  0.0779% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.686, support = 2.95, residual support = 8.11:
          QB    CYS   50 - HN    CYS   53   3.59 +/- 0.88  80.173% * 98.0448% (0.69   2.96   8.12) =  99.908%  kept
          HB3   ASP-  78 - HN    CYS   53  15.93 +/- 4.91   3.335% *  0.8067% (0.84   0.02   0.02) =   0.034%
          QE    LYS+  74 - HN    CYS   53  13.63 +/- 2.63   2.973% *  0.7013% (0.73   0.02   0.02) =   0.026%
          HB3   HIS  122 - HN    CYS   53  15.65 +/- 5.17  10.331% *  0.1490% (0.15   0.02   0.02) =   0.020%
          HB3   ASN   69 - HN    CYS   53  21.68 +/- 5.47   3.188% *  0.2981% (0.31   0.02   0.02) =   0.012%
    Distance limit 4.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 54.7:
          HG2   PRO   52 - HN    CYS   53   3.21 +/- 0.38  85.373% * 94.9798% (0.25   7.20  54.77) =  99.895%  kept
          HG2   MET   92 - HN    CYS   53  12.04 +/- 4.92   5.734% *  0.8083% (0.76   0.02   0.02) =   0.057%
          QG    GLU- 114 - HN    CYS   53  12.43 +/- 2.14   2.158% *  0.7266% (0.69   0.02   0.02) =   0.019%
          HB2   GLU-  79 - HN    CYS   53  16.89 +/- 3.86   1.093% *  0.6415% (0.61   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    CYS   53  12.42 +/- 1.78   2.038% *  0.2637% (0.25   0.02   0.02) =   0.007%
          QB    MET   11 - HN    CYS   53  30.33 +/- 6.28   0.439% *  0.8470% (0.80   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    CYS   53  14.96 +/- 4.15   1.667% *  0.1431% (0.14   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    CYS   53  18.33 +/- 2.24   0.745% *  0.1852% (0.18   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    CYS   53  31.81 +/- 3.40   0.145% *  0.8083% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   53  24.03 +/- 3.14   0.299% *  0.3608% (0.34   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  25.06 +/- 4.62   0.309% *  0.2355% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 7.01, residual support = 53.5:
          HG3   PRO   52 - HN    CYS   53   4.13 +/- 0.39  46.142% * 90.6599% (0.98   7.20  54.77) =  94.484%  kept
          HB2   ARG+  54 - HN    CYS   53   4.94 +/- 0.51  28.746% *  8.3635% (0.18   3.72  31.64) =   5.430%  kept
          HG2   PRO   58 - HN    CYS   53  10.62 +/- 2.19   8.145% *  0.2518% (0.98   0.02   0.02) =   0.046%
          HB2   PRO   93 - HN    CYS   53   9.14 +/- 3.82  13.328% *  0.1056% (0.41   0.02   0.02) =   0.032%
          HB2   PRO   68 - HN    CYS   53  21.45 +/- 6.32   1.965% *  0.0714% (0.28   0.02   0.02) =   0.003%
          HG2   MET   11 - HN    CYS   53  34.54 +/- 7.44   0.458% *  0.2568% (1.00   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HN    CYS   53  27.82 +/- 5.10   0.244% *  0.2563% (1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  16.92 +/- 3.85   0.972% *  0.0348% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.44 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 = 0.67, support = 7.2, residual support = 52.6:
      O   HB3   PRO   52 - HN    CYS   53   3.90 +/- 0.39  56.606% * 77.7523% (0.65  10.0   7.53  54.77) =  90.683%  kept
          HG2   ARG+  54 - HN    CYS   53   5.59 +/- 0.66  21.045% * 21.4269% (0.90   1.0   3.98  31.64) =   9.291%  kept
          HG    LEU  123 - HN    CYS   53  16.21 +/- 5.19   5.403% *  0.0778% (0.65   1.0   0.02   0.02) =   0.009%
          HB    ILE   56 - HN    CYS   53   7.86 +/- 1.07   9.136% *  0.0238% (0.20   1.0   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    CYS   53  20.42 +/- 6.35   1.464% *  0.1137% (0.95   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYS   53  16.52 +/- 4.21   1.514% *  0.0826% (0.69   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    CYS   53  17.20 +/- 3.83   1.461% *  0.0729% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    CYS   53  19.77 +/- 2.92   0.701% *  0.1043% (0.87   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    CYS   53  16.40 +/- 2.77   1.011% *  0.0680% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    CYS   53  23.52 +/- 2.85   0.375% *  0.1110% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  24.64 +/- 2.55   0.296% *  0.0919% (0.76   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  22.22 +/- 3.13   0.506% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.35 +/- 2.63   0.483% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.774, support = 5.84, residual support = 44.4:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.14  80.084% * 97.0258% (0.78 10.00   5.85  44.53) =  99.477%  kept
          HN    ALA   34 - HN    LEU   31   4.55 +/- 0.26  17.877% *  2.2766% (0.14  1.00   2.54  10.38) =   0.521%  kept
        T HN    GLN   32 - HN    PHE   55  27.92 +/- 2.94   0.093% *  0.4733% (0.38 10.00   0.02   0.02) =   0.001%
          HN    SER   85 - HN    LEU   31  20.80 +/- 5.95   0.346% *  0.1159% (0.93  1.00   0.02   0.02) =   0.001%
          HN    THR   94 - HN    PHE   55  13.38 +/- 2.87   1.035% *  0.0141% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  22.69 +/- 2.98   0.181% *  0.0565% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.68 +/- 2.36   0.281% *  0.0290% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.05 +/- 2.79   0.103% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.547, support = 7.01, residual support = 48.8:
        T HN    GLN   30 - HN    LEU   31   2.58 +/- 0.09  80.340% * 78.3960% (0.53 10.00   7.23  51.48) =  94.677%  kept
          HN    GLU-  29 - HN    LEU   31   4.35 +/- 0.18  16.882% * 20.9648% (0.91  1.00   3.09   0.43) =   5.320%  kept
          HN    VAL   18 - HN    LEU   31  12.96 +/- 2.36   1.832% *  0.0385% (0.26  1.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  19.76 +/- 6.38   0.434% *  0.0896% (0.60  1.00   0.02   0.02) =   0.001%
        T HN    GLN   30 - HN    PHE   55  25.93 +/- 3.10   0.095% *  0.3824% (0.26 10.00   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    PHE   55  27.20 +/- 3.55   0.085% *  0.0662% (0.44  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  23.30 +/- 2.56   0.129% *  0.0437% (0.29  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  20.82 +/- 3.05   0.203% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.481, support = 3.34, residual support = 21.0:
      O   HA    PHE   55 - HN    PHE   55   2.80 +/- 0.07  76.094% * 97.9475% (0.48  10.0   3.34  21.00) =  99.834%  kept
          HA    TRP   27 - HN    LEU   31   4.56 +/- 0.24  18.017% *  0.5513% (0.13   1.0   0.40  24.08) =   0.133%  kept
          HA    ALA  110 - HN    PHE   55  13.53 +/- 5.48   2.787% *  0.7767% (0.71   1.0   0.11   0.02) =   0.029%
          HA    GLN   90 - HN    PHE   55  18.31 +/- 3.96   0.649% *  0.1293% (0.64   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  16.44 +/- 4.37   1.005% *  0.0664% (0.33   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    PHE   55  16.59 +/- 3.36   0.504% *  0.0914% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  22.12 +/- 4.05   0.205% *  0.0979% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.84 +/- 2.31   0.205% *  0.0693% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.70 +/- 2.38   0.122% *  0.1097% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  24.01 +/- 3.52   0.149% *  0.0503% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.02 +/- 2.64   0.098% *  0.0742% (0.37   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.46 +/- 3.16   0.165% *  0.0360% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.786, support = 3.02, residual support = 20.7:
      O   QB    PHE   55 - HN    PHE   55   2.04 +/- 0.10  83.256% * 82.0508% (0.79  10.0   3.02  21.00) =  98.352%  kept
          HD2   ARG+  54 - HN    PHE   55   4.91 +/- 0.55   6.988% * 14.1572% (0.69   1.0   3.94   4.32) =   1.424%  kept
          HB3   CYS   53 - HN    PHE   55   5.43 +/- 0.34   4.745% *  3.2054% (0.73   1.0   0.84   0.02) =   0.219%  kept
          HB2   PHE   59 - HN    PHE   55   8.25 +/- 1.45   1.891% *  0.0691% (0.66   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    PHE   55  12.19 +/- 4.83   1.498% *  0.0826% (0.79   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    LEU   31  16.92 +/- 3.82   1.096% *  0.0627% (0.60   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   55  19.59 +/- 4.07   0.167% *  0.0828% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.79 +/- 2.41   0.098% *  0.0524% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.46 +/- 2.77   0.080% *  0.0579% (0.56   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.63 +/- 2.72   0.066% *  0.0622% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.24 +/- 2.40   0.063% *  0.0626% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.39 +/- 4.05   0.054% *  0.0544% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 3.62, residual support = 9.0:
      O   HA    ARG+  54 - HN    PHE   55   3.53 +/- 0.06  41.199% * 65.2591% (0.25  10.0   3.32   4.32) =  68.478%  kept
          HA    ASN   28 - HN    LEU   31   3.52 +/- 0.12  41.822% * 29.0069% (0.50   1.0   4.34  19.56) =  30.897%  kept
          HA    THR   26 - HN    LEU   31   6.80 +/- 0.30   5.887% *  3.8853% (0.39   1.0   0.75   0.02) =   0.583%  kept
          HA    ALA   34 - HN    LEU   31   6.86 +/- 0.40   5.814% *  0.1546% (0.58   1.0   0.02  10.38) =   0.023%
          HA1   GLY  101 - HN    LEU   31  14.77 +/- 4.91   1.436% *  0.1598% (0.60   1.0   0.02   0.02) =   0.006%
          HA    LEU  115 - HN    PHE   55  12.04 +/- 1.62   1.201% *  0.1834% (0.69   1.0   0.02   5.13) =   0.006%
          HA    GLU- 114 - HN    PHE   55  14.63 +/- 1.72   0.658% *  0.2000% (0.75   1.0   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    LEU   31  22.79 +/- 2.40   0.179% *  0.1389% (0.52   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    PHE   55  25.70 +/- 3.21   0.137% *  0.1766% (0.66   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  26.63 +/- 2.90   0.118% *  0.2040% (0.77   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    PHE   55  20.40 +/- 4.59   0.486% *  0.0471% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU   31  26.29 +/- 6.84   0.576% *  0.0357% (0.13   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  25.91 +/- 2.68   0.124% *  0.1515% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.92 +/- 4.19   0.129% *  0.1368% (0.51   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  30.10 +/- 3.02   0.078% *  0.2110% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.68 +/- 3.07   0.155% *  0.0494% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.13, residual support = 231.3:
      O   HA    LEU   31 - HN    LEU   31   2.79 +/- 0.05  99.830% * 99.9512% (0.60  10.0   7.13 231.33) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.37 +/- 2.94   0.170% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.49, support = 5.8, residual support = 41.2:
          HB2   GLN   30 - HN    LEU   31   3.46 +/- 0.26  36.809% * 34.0178% (0.48   6.16  51.48) =  52.957%  kept
          HG3   GLN   30 - HN    LEU   31   5.08 +/- 0.34  12.025% * 49.5018% (0.60   7.24  51.48) =  25.176%  kept
          HB2   ARG+  54 - HN    PHE   55   3.51 +/- 0.48  35.742% * 14.4316% (0.39   3.26   4.32) =  21.815%  kept
          HB    ILE  119 - HN    PHE   55  11.78 +/- 2.05   1.347% *  0.1458% (0.64   0.02   0.02) =   0.008%
          HB2   PRO   93 - HN    PHE   55  11.20 +/- 3.90   4.124% *  0.0405% (0.18   0.02   0.02) =   0.007%
          QB    GLU-  15 - HN    LEU   31  11.68 +/- 2.39   1.847% *  0.0671% (0.29   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - HN    PHE   55  13.46 +/- 3.56   1.142% *  0.1031% (0.45   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    LEU   31  18.45 +/- 3.76   0.845% *  0.1196% (0.52   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    LEU   31  14.31 +/- 3.35   0.841% *  0.1196% (0.52   0.02   0.02) =   0.004%
          HB2   GLN   17 - HN    LEU   31  13.59 +/- 3.25   1.494% *  0.0671% (0.29   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    PHE   55  21.41 +/- 5.33   0.524% *  0.1580% (0.69   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    LEU   31  10.44 +/- 0.37   1.332% *  0.0426% (0.19   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    PHE   55  18.19 +/- 3.88   0.410% *  0.1031% (0.45   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    PHE   55  24.31 +/- 2.77   0.130% *  0.1805% (0.79   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  23.01 +/- 3.39   0.211% *  0.1104% (0.48   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  24.42 +/- 2.70   0.123% *  0.1458% (0.64   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  21.38 +/- 3.37   0.190% *  0.0781% (0.34   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  22.86 +/- 3.41   0.167% *  0.0886% (0.39   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    PHE   55  30.15 +/- 4.05   0.087% *  0.1580% (0.69   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   55  25.08 +/- 2.69   0.109% *  0.0886% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.64 +/- 3.27   0.104% *  0.0781% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.22 +/- 3.58   0.113% *  0.0671% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.53 +/- 4.80   0.116% *  0.0562% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  21.22 +/- 2.18   0.168% *  0.0307% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.13, residual support = 231.3:
      O   HB2   LEU   31 - HN    LEU   31   2.59 +/- 0.16  83.771% * 98.5368% (0.78  10.0   7.13 231.33) =  99.987%  kept
          HG    LEU   98 - HN    LEU   31  12.02 +/- 4.38   2.408% *  0.1023% (0.81   1.0   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    PHE   55  11.18 +/- 3.86   2.793% *  0.0418% (0.33   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  17.36 +/- 6.58   0.817% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  16.61 +/- 3.58   0.704% *  0.1169% (0.92   1.0   0.02   0.27) =   0.001%
          HB2   LEU   63 - HN    PHE   55  12.70 +/- 2.73   1.346% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  22.80 +/- 5.69   0.575% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  15.12 +/- 1.51   0.500% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    LEU   31  14.22 +/- 3.06   0.901% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    PHE   55  17.18 +/- 4.06   0.946% *  0.0544% (0.43   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  14.36 +/- 4.20   1.009% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  17.10 +/- 4.11   0.488% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  13.61 +/- 1.89   0.727% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  12.48 +/- 1.00   0.840% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.66 +/- 3.74   0.392% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  16.86 +/- 2.78   0.429% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  21.03 +/- 2.27   0.199% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.84 +/- 3.35   0.102% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  23.61 +/- 3.09   0.162% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  18.17 +/- 3.48   0.326% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.50 +/- 3.13   0.122% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.24 +/- 3.82   0.138% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  20.71 +/- 3.53   0.214% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  29.89 +/- 4.29   0.091% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.13, residual support = 231.3:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.02  72.708% * 99.4260% (0.83  10.0   7.13 231.33) =  99.985%  kept
          QB    ALA   20 - HN    LEU   31  10.20 +/- 1.09   3.535% *  0.0994% (0.83   1.0   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    PHE   55  10.97 +/- 2.09   3.514% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.96 +/- 0.56   4.711% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    PHE   55  10.00 +/- 2.85   6.244% *  0.0167% (0.14   1.0   0.02   1.59) =   0.001%
          QB    ALA   20 - HN    PHE   55  16.90 +/- 3.82   1.598% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    LEU   31  22.95 +/- 7.01   1.125% *  0.0583% (0.49   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  11.90 +/- 3.21   3.258% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    LEU   31  21.61 +/- 3.50   0.475% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    PHE   55  18.16 +/- 3.39   0.906% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.20 +/- 1.88   0.721% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  25.86 +/- 3.30   0.272% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.13 +/- 3.74   0.692% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.84 +/- 3.83   0.242% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.623, support = 7.17, residual support = 206.5:
          HG    LEU   31 - HN    LEU   31   2.53 +/- 0.45  63.771% * 63.4625% (0.64   7.69 231.33) =  88.311%  kept
          QD1   ILE   56 - HN    PHE   55   4.40 +/- 1.11  21.437% * 20.9090% (0.45   3.60  21.98) =   9.781%  kept
          QD2   LEU   73 - HN    LEU   31   6.45 +/- 1.79   5.835% * 14.9039% (0.78   1.49   2.12) =   1.898%  kept
          QG1   VAL   41 - HN    LEU   31   6.93 +/- 2.90   7.453% *  0.0421% (0.16   0.02   0.02) =   0.007%
          HG3   LYS+ 121 - HN    LEU   31  22.49 +/- 6.90   0.441% *  0.1650% (0.64   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LEU   31  19.51 +/- 2.02   0.184% *  0.2381% (0.92   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    PHE   55  16.55 +/- 2.06   0.352% *  0.0979% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  18.19 +/- 3.22   0.276% *  0.0805% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.37 +/- 2.69   0.089% *  0.0805% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.91 +/- 2.67   0.162% *  0.0205% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.88, residual support = 231.2:
          QD2   LEU   31 - HN    LEU   31   2.01 +/- 0.33  97.172% * 97.7449% (0.18   6.88 231.33) =  99.962%  kept
          QG2   VAL   43 - HN    LEU   31   9.41 +/- 3.00   2.368% *  1.4225% (0.92   0.02   0.02) =   0.035%
          QG2   VAL   43 - HN    PHE   55  15.98 +/- 1.30   0.300% *  0.6940% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    PHE   55  20.28 +/- 2.67   0.160% *  0.1386% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.613, support = 1.66, residual support = 1.82:
          QD1   LEU   73 - HN    LEU   31   5.93 +/- 2.73  37.224% * 51.4578% (0.60   1.94   2.12) =  77.148%  kept
          QD1   LEU   63 - HN    LEU   31  13.46 +/- 3.87  15.516% * 23.2703% (0.60   0.88   0.27) =  14.542%  kept
          QD1   LEU  104 - HN    LEU   31  13.11 +/- 2.88   7.359% * 17.2093% (0.92   0.42   0.02) =   5.101%  kept
          QD2   LEU  115 - HN    PHE   55   7.93 +/- 1.40  15.282% *  4.4129% (0.43   0.23   5.13) =   2.716%  kept
          QD2   LEU   80 - HN    LEU   31  13.79 +/- 6.75   6.149% *  0.7899% (0.90   0.02   0.02) =   0.196%  kept
          QG1   VAL   83 - HN    LEU   31  13.47 +/- 5.94   5.736% *  0.5295% (0.60   0.02   0.02) =   0.122%  kept
          QD1   LEU   63 - HN    PHE   55  11.28 +/- 2.21   4.873% *  0.2583% (0.29   0.02   0.02) =   0.051%
          QD2   LEU  115 - HN    LEU   31  18.70 +/- 1.64   1.100% *  0.7743% (0.88   0.02   0.02) =   0.034%
          QD2   LEU   80 - HN    PHE   55  18.08 +/- 3.40   1.970% *  0.3853% (0.44   0.02   0.02) =   0.031%
          QD1   LEU  104 - HN    PHE   55  19.85 +/- 3.35   1.827% *  0.3958% (0.45   0.02   0.02) =   0.029%
          QD1   LEU   73 - HN    PHE   55  17.39 +/- 2.54   1.702% *  0.2583% (0.29   0.02   0.02) =   0.018%
          QG1   VAL   83 - HN    PHE   55  18.61 +/- 2.72   1.263% *  0.2583% (0.29   0.02   0.02) =   0.013%
    Distance limit 4.80 A violated in 0 structures by 0.29 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.665, support = 8.14, residual support = 50.9:
          HB3   GLN   30 - HN    LEU   31   2.96 +/- 0.20  74.295% * 88.0948% (0.68   8.24  51.48) =  97.940%  kept
          HB    ILE   56 - HN    PHE   55   5.64 +/- 0.73  13.388% * 10.1694% (0.17   3.77  21.98) =   2.037%  kept
          HB3   PRO   58 - HN    PHE   55  10.25 +/- 1.42   3.814% *  0.1409% (0.44   0.02   0.02) =   0.008%
          HB3   GLU-  14 - HN    LEU   31  14.62 +/- 3.08   2.403% *  0.1106% (0.35   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    LEU   31  12.78 +/- 1.61   1.307% *  0.1550% (0.49   0.02   0.02) =   0.003%
          HB2   MET   92 - HN    PHE   55  14.37 +/- 4.65   1.304% *  0.1247% (0.39   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  20.33 +/- 4.94   0.470% *  0.1668% (0.53   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  23.48 +/- 3.38   0.287% *  0.2556% (0.81   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   31  21.94 +/- 3.20   0.245% *  0.2888% (0.91   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.24 +/- 3.53   1.127% *  0.0455% (0.14   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    PHE   55  35.54 +/- 7.58   0.381% *  0.0814% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.25 +/- 2.64   0.178% *  0.1106% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.07 +/- 2.73   0.176% *  0.1044% (0.33   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  28.97 +/- 4.48   0.129% *  0.0756% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  28.57 +/- 5.50   0.167% *  0.0539% (0.17   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  18.89 +/- 2.02   0.329% *  0.0222% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.554, support = 6.0, residual support = 42.2:
          HG2   GLN   30 - HN    LEU   31   5.00 +/- 0.25  48.374% * 68.0472% (0.49   7.48  51.48) =  70.782%  kept
          HB3   ASN   28 - HN    LEU   31   5.21 +/- 0.15  42.899% * 31.6655% (0.71   2.40  19.56) =  29.210%  kept
          QE    LYS+ 121 - HN    LEU   31  19.92 +/- 6.45   3.446% *  0.0468% (0.13   0.02   0.02) =   0.003%
          QE    LYS+ 121 - HN    PHE   55  16.01 +/- 3.62   4.411% *  0.0228% (0.06   0.02   0.02) =   0.002%
          HB3   ASN   28 - HN    PHE   55  27.76 +/- 3.50   0.371% *  0.1289% (0.35   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    PHE   55  24.90 +/- 3.24   0.500% *  0.0887% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.13 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.6, residual support = 51.3:
      O   HA    GLN   30 - HN    LEU   31   3.58 +/- 0.03  58.324% * 98.0647% (0.64  10.0   6.62  51.48) =  99.686%  kept
          HB2   CYS   53 - HN    PHE   55   5.28 +/- 0.30  18.830% *  0.8729% (0.13   1.0   0.90   0.02) =   0.286%  kept
          HD3   PRO   52 - HN    PHE   55   6.50 +/- 0.44  10.219% *  0.0532% (0.35   1.0   0.02   0.42) =   0.009%
          HB    THR   39 - HN    LEU   31  10.83 +/- 1.33   2.475% *  0.1037% (0.68   1.0   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    LEU   31  10.54 +/- 1.31   2.703% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          QB    SER   13 - HN    LEU   31  14.46 +/- 3.76   1.821% *  0.1091% (0.71   1.0   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    LEU   31  19.77 +/- 7.63   1.343% *  0.1399% (0.91   1.0   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    LEU   31  26.29 +/- 4.23   0.382% *  0.1091% (0.71   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    LEU   31  21.06 +/- 3.89   0.381% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    PHE   55  18.81 +/- 3.33   0.568% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.15 +/- 1.38   1.345% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.70 +/- 3.67   0.242% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.98 +/- 3.70   0.378% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.64 +/- 2.74   0.288% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.45 +/- 4.31   0.208% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  25.92 +/- 3.00   0.188% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.33 +/- 2.78   0.171% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.67 +/- 3.20   0.135% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 6.57, residual support = 169.5:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.07  90.589% * 99.0002% (0.61  10.0   6.57 169.52) =  99.995%  kept
          HA    LEU  115 - HN    ARG+  54  13.20 +/- 1.46   0.913% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    ARG+  54  16.02 +/- 1.34   0.498% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.94 +/- 0.93   1.603% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ARG+  54  21.66 +/- 5.33   0.553% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.56 +/- 1.68   2.221% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.92 +/- 3.49   0.175% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.17 +/- 3.00   0.133% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  19.69 +/- 4.16   0.455% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.74 +/- 3.22   0.096% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  17.83 +/- 2.01   0.425% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  18.63 +/- 2.54   0.401% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  15.15 +/- 1.15   0.594% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  26.02 +/- 4.26   0.172% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.69 +/- 1.77   0.383% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.09 +/- 2.73   0.180% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.03 +/- 2.96   0.323% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  19.59 +/- 2.19   0.287% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 85.3:
      O   HB2   TRP   49 - HN    TRP   49   3.50 +/- 0.14  93.312% * 99.6106% (0.98  10.0   4.09  85.26) =  99.993%  kept
          HA    ALA   84 - HN    TRP   49  15.10 +/- 3.57   2.299% *  0.1007% (0.99   1.0   0.02   0.02) =   0.002%
          HA    THR  118 - HN    TRP   49  20.02 +/- 3.81   1.890% *  0.1014% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    TRP   49  18.43 +/- 4.04   1.418% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    TRP   49  17.46 +/- 2.93   1.082% *  0.0911% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.53, residual support = 16.1:
          QB    ALA   47 - HE1   TRP   49   2.74 +/- 0.97  73.464% * 98.5584% (1.00   2.54  16.12) =  99.797%  kept
          QG1   VAL   42 - HE1   TRP   49  13.62 +/- 2.77  11.286% *  0.7521% (0.97   0.02   0.02) =   0.117%  kept
          HG2   LYS+ 112 - HE1   TRP   49  15.65 +/- 4.29  10.143% *  0.5353% (0.69   0.02   0.02) =   0.075%
          QB    ALA   64 - HE1   TRP   49  13.70 +/- 2.74   5.106% *  0.1542% (0.20   0.02   0.02) =   0.011%
    Distance limit 4.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.72, residual support = 16.1:
          QB    ALA   47 - HN    TRP   49   2.69 +/- 0.49  93.959% * 99.0146% (1.00   3.73  16.12) =  99.978%  kept
          QG1   VAL   42 - HN    TRP   49  13.72 +/- 2.09   2.463% *  0.5141% (0.97   0.02   0.02) =   0.014%
          HG2   LYS+ 112 - HN    TRP   49  15.57 +/- 3.50   1.667% *  0.3659% (0.69   0.02   0.02) =   0.007%
          QB    ALA   64 - HN    TRP   49  12.95 +/- 2.49   1.911% *  0.1054% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.02 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 = 0.878, support = 0.174, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.57 +/- 1.79  48.032% * 72.7679% (0.90   0.19   0.02) =  93.075%  kept
          HD3   PRO   52 - HN    ALA   47   7.77 +/- 1.75  26.030% *  3.5979% (0.41   0.02   0.02) =   2.494%  kept
          HD2   PRO   58 - HN    ALA   47  11.75 +/- 2.48  10.160% *  7.0078% (0.80   0.02   0.02) =   1.896%  kept
          HA    VAL   83 - HN    ALA   47  15.40 +/- 2.99   9.280% *  6.3550% (0.73   0.02   0.02) =   1.570%  kept
          HA    GLU- 100 - HN    ALA   47  24.55 +/- 3.77   4.869% *  6.0116% (0.69   0.02   0.02) =   0.779%  kept
          HA    GLN   30 - HN    ALA   47  21.70 +/- 2.36   1.630% *  4.2599% (0.49   0.02   0.02) =   0.185%  kept
    Distance limit 4.46 A violated in 5 structures by 0.87 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.13, residual support = 39.9:
      O   HB2   ASP-  44 - HN    ASP-  44   2.84 +/- 0.43  84.136% * 96.0836% (0.87  10.0   3.14  40.03) =  99.574%  kept
          HB3   PHE   72 - HN    ASP-  44   6.80 +/- 1.04   9.874% *  3.4670% (0.76   1.0   0.82   0.02) =   0.422%  kept
          QG    GLU-  14 - HN    ASP-  44  17.30 +/- 3.85   1.109% *  0.0925% (0.84   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  44  12.80 +/- 1.64   1.242% *  0.0761% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  15.55 +/- 3.15   0.757% *  0.1048% (0.95   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  13.16 +/- 2.71   1.201% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ASP-  44  22.77 +/- 4.06   0.291% *  0.0993% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.58 +/- 1.23   1.111% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.58 +/- 1.39   0.280% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.862, support = 2.61, residual support = 4.95:
          HB2   LEU   73 - HN    ASP-  44   6.41 +/- 2.14  33.515% * 94.2227% (0.87   2.65   5.03) =  98.550%  kept
          HB    ILE   89 - HN    ASP-  44  10.33 +/- 2.13  11.879% *  1.4892% (0.15   0.24   0.02) =   0.552%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.02 +/- 1.71  11.796% *  0.8049% (0.98   0.02   0.02) =   0.296%  kept
          QG1   ILE   56 - HN    ASP-  44  11.43 +/- 2.25  11.059% *  0.4980% (0.61   0.02   0.02) =   0.172%  kept
          QD    LYS+  99 - HN    ASP-  44  13.79 +/- 1.24   4.712% *  0.8139% (0.99   0.02   0.02) =   0.120%  kept
          HB3   MET   92 - HN    ASP-  44  12.18 +/- 0.59   6.310% *  0.5963% (0.73   0.02   0.02) =   0.117%  kept
          HG3   PRO   93 - HN    ASP-  44  11.86 +/- 1.37   8.317% *  0.2534% (0.31   0.02   0.02) =   0.066%
          HB3   LYS+  99 - HN    ASP-  44  14.31 +/- 1.00   3.975% *  0.3997% (0.49   0.02   0.02) =   0.050%
          HD2   LYS+ 111 - HN    ASP-  44  17.86 +/- 3.15   2.709% *  0.4980% (0.61   0.02   0.02) =   0.042%
          HB2   LEU  123 - HN    ASP-  44  19.24 +/- 3.24   2.212% *  0.2801% (0.34   0.02   0.02) =   0.019%
          QD    LYS+ 102 - HN    ASP-  44  16.64 +/- 1.92   3.516% *  0.1438% (0.18   0.02   0.02) =   0.016%
    Distance limit 4.59 A violated in 12 structures by 1.58 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.629, support = 1.03, residual support = 4.27:
          HB2   LYS+  74 - HN    ASP-  44   6.72 +/- 1.13  31.811% * 42.7866% (0.65   1.17   5.20) =  64.608%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.05 +/- 1.04  18.958% * 19.5655% (0.28   1.25   5.20) =  17.607%  kept
          HG2   LYS+  65 - HN    ASP-  44  10.58 +/- 3.04  16.757% * 10.6536% (0.95   0.20   0.02) =   8.474%  kept
          QD    LYS+  66 - HN    ASP-  44  12.32 +/- 2.22   7.524% * 23.6027% (0.90   0.47   0.02) =   8.429%  kept
          QG2   THR   26 - HN    ASP-  44  11.71 +/- 2.31   8.091% *  1.0112% (0.90   0.02   0.02) =   0.388%  kept
          HD2   LYS+ 121 - HN    ASP-  44  15.89 +/- 4.45   4.854% *  1.1052% (0.98   0.02   0.02) =   0.255%  kept
          HG    LEU  104 - HN    ASP-  44  13.80 +/- 1.23   4.074% *  0.4635% (0.41   0.02   0.02) =   0.090%
          HB3   LYS+ 111 - HN    ASP-  44  16.19 +/- 2.81   4.601% *  0.3480% (0.31   0.02   0.02) =   0.076%
          HB3   LYS+ 121 - HN    ASP-  44  16.59 +/- 3.93   3.330% *  0.4635% (0.41   0.02   0.02) =   0.073%
    Distance limit 4.74 A violated in 9 structures by 1.30 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 4.05, residual support = 40.0:
      O   HB3   ASP-  44 - HN    ASP-  44   3.35 +/- 0.42  69.136% * 99.1884% (0.99  10.0   4.06  40.03) =  99.966%  kept
          HB2   LEU   63 - HN    ASP-  44   8.90 +/- 2.10   7.715% *  0.0947% (0.95   1.0   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    ASP-  44  10.30 +/- 1.85   3.706% *  0.0947% (0.95   1.0   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    ASP-  44   9.77 +/- 1.50   4.060% *  0.0836% (0.84   1.0   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    ASP-  44  11.14 +/- 3.07   3.425% *  0.0868% (0.87   1.0   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    ASP-  44  10.44 +/- 1.53   2.739% *  0.0868% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ASP-  44  13.61 +/- 2.37   1.361% *  0.0727% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ASP-  44  11.47 +/- 1.89   2.468% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  17.19 +/- 2.32   0.862% *  0.0647% (0.65   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  19.55 +/- 3.17   0.509% *  0.0992% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ASP-  44  15.70 +/- 3.03   2.082% *  0.0198% (0.20   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  15.33 +/- 1.25   0.834% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.31 +/- 0.81   0.482% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.45 +/- 1.57   0.621% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.8, residual support = 16.4:
          QG1   VAL   43 - HN    ASP-  44   3.86 +/- 0.72  49.704% * 91.8115% (0.90   4.88  16.67) =  98.244%  kept
          QG2   THR   46 - HN    ASP-  44   6.17 +/- 1.07  19.967% *  2.2533% (0.99   0.11   0.18) =   0.969%  kept
          QG1   VAL   41 - HN    ASP-  44   8.53 +/- 0.74   5.790% *  4.8593% (0.73   0.32   0.02) =   0.606%  kept
          QG2   VAL   18 - HN    ASP-  44   8.30 +/- 3.85  15.104% *  0.4183% (1.00   0.02   0.02) =   0.136%  kept
          QD1   ILE   19 - HN    ASP-  44  10.89 +/- 2.13   3.525% *  0.3203% (0.76   0.02   0.02) =   0.024%
          QD2   LEU  104 - HN    ASP-  44  11.23 +/- 1.30   2.833% *  0.2542% (0.61   0.02   0.02) =   0.016%
          HG    LEU   31 - HN    ASP-  44  11.29 +/- 2.38   3.077% *  0.0830% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.636, support = 3.8, residual support = 16.1:
          QG2   VAL   43 - HN    ASP-  44   3.31 +/- 0.57  68.776% * 83.7400% (0.65   3.89  16.67) =  96.875%  kept
          QG2   VAL   83 - HN    ASP-  44   8.27 +/- 2.62  13.158% *  7.6829% (0.31   0.75   0.02) =   1.700%  kept
          QD1   ILE   89 - HN    ASP-  44   7.50 +/- 2.40  12.923% *  5.2169% (0.14   1.16   0.02) =   1.134%  kept
          QD2   LEU   31 - HN    ASP-  44   9.34 +/- 2.22   5.143% *  3.3602% (0.76   0.13   0.02) =   0.291%  kept
    Distance limit 3.54 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.515, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.10 +/- 0.52  74.104% * 36.5033% (0.53   0.02   0.02) =  77.898%  kept
          HA    ASP-  78 - HN    VAL   43  15.93 +/- 1.06  10.304% * 42.0822% (0.61   0.02   0.02) =  12.487%  kept
          HA    THR   23 - HN    VAL   43  15.40 +/- 2.83  15.592% * 21.4145% (0.31   0.02   0.02) =   9.615%  kept
    Distance limit 4.63 A violated in 20 structures by 3.38 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 = 15.7:
          HA    MET   96 - HN    VAL   43   5.34 +/- 1.55 100.000% *100.0000% (0.53   1.50  15.71) = 100.000%  kept
    Distance limit 4.63 A violated in 3 structures by 0.77 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 2.94, residual support = 15.6:
          HB2   MET   96 - HN    VAL   43   4.09 +/- 1.59  63.221% * 94.0489% (0.97   2.96  15.71) =  99.408%  kept
          HB3   ASP-  76 - HN    VAL   43  11.76 +/- 1.71   5.575% *  3.7744% (0.49   0.24   0.02) =   0.352%  kept
          HB    VAL   70 - HN    VAL   43   9.11 +/- 1.78  14.628% *  0.5911% (0.90   0.02   0.02) =   0.145%  kept
          QG    GLN   17 - HN    VAL   43  13.60 +/- 3.74   4.095% *  0.5505% (0.84   0.02   0.02) =   0.038%
          HB2   ASP- 105 - HN    VAL   43   9.73 +/- 1.89   7.506% *  0.1833% (0.28   0.02   0.02) =   0.023%
          HB2   GLU-  25 - HN    VAL   43  17.71 +/- 2.75   2.206% *  0.4786% (0.73   0.02   0.02) =   0.018%
          HG2   GLU- 100 - HN    VAL   43  13.46 +/- 1.55   2.769% *  0.3732% (0.57   0.02   0.02) =   0.017%
    Distance limit 4.67 A violated in 1 structures by 0.23 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 60.7:
      O   HB    VAL   43 - HN    VAL   43   2.79 +/- 0.43  93.619% * 99.7821% (0.87  10.0   4.19  60.75) =  99.996%  kept
          HB2   LYS+  99 - HN    VAL   43  10.02 +/- 1.64   2.629% *  0.0879% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    VAL   43  11.25 +/- 2.68   2.207% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  17.46 +/- 1.80   0.415% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.02 +/- 3.73   1.129% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.815, support = 4.77, residual support = 31.6:
          HB    VAL   42 - HN    VAL   43   4.36 +/- 0.22  25.784% * 64.2959% (0.84   5.65  38.25) =  77.860%  kept
          HB3   LEU   73 - HN    VAL   43   7.10 +/- 2.68  17.030% * 20.4777% (0.90   1.68   7.51) =  16.378%  kept
          HB3   ASP-  44 - HN    VAL   43   6.41 +/- 0.52   8.481% *  8.5256% (0.25   2.51  16.67) =   3.396%  kept
          HG    LEU   98 - HN    VAL   43   6.51 +/- 2.35  16.986% *  1.9120% (0.49   0.29   0.02) =   1.525%  kept
          QB    LEU   98 - HN    VAL   43   5.69 +/- 1.28  14.594% *  0.7861% (0.18   0.33   0.02) =   0.539%  kept
          QB    ALA   84 - HN    VAL   43  11.83 +/- 1.47   1.405% *  2.3527% (0.61   0.28   0.02) =   0.155%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.70 +/- 2.49   5.944% *  0.2718% (1.00   0.02   0.02) =   0.076%
          HB3   PRO   93 - HN    VAL   43  11.78 +/- 1.61   1.810% *  0.1762% (0.65   0.02   0.02) =   0.015%
          HG3   LYS+  65 - HN    VAL   43  13.61 +/- 2.31   1.121% *  0.2275% (0.84   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HN    VAL   43  16.85 +/- 2.95   0.940% *  0.2629% (0.97   0.02   0.02) =   0.012%
          HG3   LYS+ 102 - HN    VAL   43  13.68 +/- 2.03   0.969% *  0.2514% (0.92   0.02   0.02) =   0.011%
          HG3   LYS+  33 - HN    VAL   43  14.00 +/- 2.23   1.014% *  0.2082% (0.76   0.02   0.02) =   0.010%
          HB2   LEU   63 - HN    VAL   43  10.82 +/- 2.27   3.049% *  0.0477% (0.18   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    VAL   43  20.26 +/- 3.55   0.453% *  0.1022% (0.38   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    VAL   43  19.29 +/- 3.94   0.419% *  0.1022% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.64 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 = 0.888, support = 5.15, residual support = 58.1:
          QG1   VAL   43 - HN    VAL   43   2.49 +/- 0.72  77.498% * 67.7643% (0.90   5.26  60.75) =  95.480%  kept
          QG1   VAL   41 - HN    VAL   43   6.34 +/- 0.72   8.139% * 29.5308% (0.73   2.83   1.33) =   4.370%  kept
          HG    LEU   31 - HN    VAL   43  10.15 +/- 2.97   3.299% *  1.7400% (0.20   0.61   0.02) =   0.104%  kept
          QD2   LEU  104 - HN    VAL   43   7.99 +/- 1.47   5.075% *  0.1742% (0.61   0.02   0.02) =   0.016%
          QG2   VAL   18 - HN    VAL   43   9.87 +/- 3.63   2.560% *  0.2866% (1.00   0.02   0.02) =   0.013%
          QG2   THR   46 - HN    VAL   43   9.30 +/- 1.15   2.150% *  0.2847% (0.99   0.02   0.02) =   0.011%
          QD1   ILE   19 - HN    VAL   43  11.27 +/- 2.29   1.279% *  0.2195% (0.76   0.02   0.02) =   0.005%
    Distance limit 3.61 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 = 0.681, support = 1.92, residual support = 2.28:
          QG2   VAL   41 - HN    VAL   43   5.17 +/- 0.76  23.202% * 80.2186% (0.73   2.18   1.33) =  82.780%  kept
          QD1   LEU   73 - HN    VAL   43   6.22 +/- 1.90  20.883% * 16.9352% (0.45   0.75   7.51) =  15.729%  kept
          QD2   LEU   98 - HN    VAL   43   5.44 +/- 1.66  25.236% *  0.5329% (0.53   0.02   0.02) =   0.598%  kept
          QD2   LEU   63 - HN    VAL   43   8.57 +/- 2.79  13.231% *  0.9928% (0.98   0.02   0.02) =   0.584%  kept
          QD1   LEU   63 - HN    VAL   43   9.07 +/- 2.61   8.769% *  0.4541% (0.45   0.02   0.02) =   0.177%  kept
          QD1   LEU   80 - HN    VAL   43  11.89 +/- 3.53   4.143% *  0.5329% (0.53   0.02   0.02) =   0.098%
          QD2   LEU   80 - HN    VAL   43  11.61 +/- 2.69   2.597% *  0.1563% (0.15   0.02   0.02) =   0.018%
          QD2   LEU  115 - HN    VAL   43  11.74 +/- 1.79   1.938% *  0.1774% (0.18   0.02   0.02) =   0.015%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.962, support = 5.08, residual support = 38.1:
          QG1   VAL   42 - HN    VAL   43   2.82 +/- 0.53  82.032% * 97.4102% (0.97   5.09  38.25) =  99.626%  kept
          QB    ALA   64 - HN    VAL   43   6.94 +/- 1.23  15.052% *  1.9221% (0.20   0.49   0.02) =   0.361%  kept
          QB    ALA   47 - HN    VAL   43  12.57 +/- 1.63   2.000% *  0.3954% (1.00   0.02   0.02) =   0.010%
          HG2   LYS+ 112 - HN    VAL   43  16.56 +/- 3.08   0.916% *  0.2722% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   7.89 +/- 2.86  38.568% * 34.1913% (0.90   0.02   0.02) =  40.249%  kept
          QD2   LEU   31 - HN    VAL   43   8.50 +/- 2.82  36.821% * 27.6841% (0.73   0.02   0.02) =  31.113%  kept
          QG2   VAL   83 - HN    VAL   43   9.24 +/- 2.68  24.611% * 38.1246% (1.00   0.02   0.02) =  28.638%  kept
    Distance limit 4.11 A violated in 13 structures by 1.82 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.929, support = 5.85, residual support = 27.4:
          HB    VAL   41 - HN    VAL   42   3.61 +/- 0.75  52.585% * 89.6646% (0.97   6.02  28.72) =  95.107%  kept
          HB2   LEU   71 - HN    VAL   42   6.54 +/- 2.24  27.756% *  8.6273% (0.22   2.51   1.27) =   4.830%  kept
          HG12  ILE  103 - HN    VAL   42   9.80 +/- 2.20   3.956% *  0.3086% (1.00   0.02   0.02) =   0.025%
          QB    LYS+  66 - HN    VAL   42  11.31 +/- 1.38   1.969% *  0.2577% (0.84   0.02   0.02) =   0.010%
          QB    LYS+  65 - HN    VAL   42  10.12 +/- 1.69   4.293% *  0.0769% (0.25   0.02   0.02) =   0.007%
          HG    LEU  123 - HN    VAL   42  18.95 +/- 4.45   0.835% *  0.2767% (0.90   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    VAL   42  20.30 +/- 3.22   0.772% *  0.2767% (0.90   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    VAL   42  12.88 +/- 2.18   1.423% *  0.1053% (0.34   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    VAL   42  12.35 +/- 1.53   1.753% *  0.0687% (0.22   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    VAL   42  16.51 +/- 1.64   0.647% *  0.1747% (0.57   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    VAL   42  12.29 +/- 2.23   1.770% *  0.0611% (0.20   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    VAL   42  11.83 +/- 2.34   1.904% *  0.0476% (0.15   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  20.73 +/- 1.85   0.338% *  0.0540% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 6.02, residual support = 87.0:
      O   HB    VAL   42 - HN    VAL   42   2.73 +/- 0.28  59.740% * 91.8370% (0.98  10.0   6.10  88.48) =  98.340%  kept
          HB3   LEU   73 - HN    VAL   42   6.55 +/- 1.80  16.295% *  4.2250% (0.95   1.0   0.95   1.52) =   1.234%  kept
          QB    LEU   98 - HN    VAL   42   6.72 +/- 1.97   6.994% *  3.3117% (0.57   1.0   1.25   0.43) =   0.415%  kept
          HB3   LYS+  74 - HN    VAL   42   9.09 +/- 1.74   4.138% *  0.0289% (0.31   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    VAL   42  11.27 +/- 2.29   1.038% *  0.0935% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   42  12.55 +/- 1.68   0.773% *  0.0918% (0.98   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    VAL   42  11.96 +/- 2.74   0.975% *  0.0716% (0.76   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    VAL   42   7.60 +/- 2.70   5.291% *  0.0127% (0.14   1.0   0.02   0.43) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  15.92 +/- 7.46   2.114% *  0.0260% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  15.01 +/- 2.55   0.444% *  0.0865% (0.92   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  17.75 +/- 3.50   0.431% *  0.0783% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   42  18.86 +/- 2.98   0.400% *  0.0813% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   42  14.49 +/- 1.79   0.481% *  0.0209% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  14.40 +/- 1.43   0.465% *  0.0185% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.54 +/- 2.89   0.423% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 1.24, residual support = 1.74:
          QD1   LEU   40 - HN    VAL   42   4.61 +/- 1.01  70.019% * 97.9383% (0.98   1.25   1.75) =  99.471%  kept
          QD2   LEU   67 - HN    VAL   42   8.06 +/- 1.70  26.118% *  1.2822% (0.80   0.02   0.02) =   0.486%  kept
          QG1   VAL  108 - HN    VAL   42  14.03 +/- 1.92   3.863% *  0.7794% (0.49   0.02   0.02) =   0.044%
    Distance limit 4.59 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.803, support = 5.22, residual support = 33.0:
          QG1   VAL   41 - HN    VAL   42   4.16 +/- 0.27  36.900% * 46.3677% (0.73   5.43  28.72) =  54.044%  kept
          QG1   VAL   43 - HN    VAL   42   4.95 +/- 1.04  27.441% * 52.7950% (0.90   5.00  38.25) =  45.761%  kept
          QG2   VAL   18 - HN    VAL   42   8.40 +/- 3.71  11.933% *  0.2349% (1.00   0.02   0.02) =   0.089%
          QD1   ILE   19 - HN    VAL   42   9.04 +/- 2.68   9.154% *  0.1799% (0.76   0.02   0.02) =   0.052%
          QD2   LEU  104 - HN    VAL   42   8.68 +/- 1.85   5.791% *  0.1428% (0.61   0.02   0.02) =   0.026%
          QG2   THR   46 - HN    VAL   42  10.69 +/- 1.34   2.627% *  0.2333% (0.99   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    VAL   42   9.07 +/- 2.28   6.154% *  0.0466% (0.20   0.02   0.02) =   0.009%
    Distance limit 4.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.717, support = 5.78, residual support = 27.8:
          QG2   VAL   41 - HN    VAL   42   3.46 +/- 0.31  50.411% * 88.8606% (0.73   5.96  28.72) =  96.552%  kept
          QD1   LEU   73 - HN    VAL   42   6.06 +/- 1.36  16.066% *  6.6053% (0.45   0.72   1.52) =   2.287%  kept
          QD2   LEU   98 - HN    VAL   42   6.18 +/- 1.93  13.457% *  3.5965% (0.53   0.33   0.43) =   1.043%  kept
          QD2   LEU   63 - HN    VAL   42   7.87 +/- 2.41   9.255% *  0.4024% (0.98   0.02   0.02) =   0.080%
          QD1   LEU   63 - HN    VAL   42   8.49 +/- 2.12   6.294% *  0.1840% (0.45   0.02   0.02) =   0.025%
          QD1   LEU   80 - HN    VAL   42  13.44 +/- 3.88   1.931% *  0.2160% (0.53   0.02   0.02) =   0.009%
          QD2   LEU   80 - HN    VAL   42  13.04 +/- 2.95   1.432% *  0.0633% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   42  13.13 +/- 1.88   1.153% *  0.0719% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 88.5:
          QG1   VAL   42 - HN    VAL   42   3.50 +/- 0.38  97.483% * 99.2599% (0.87   5.45  88.48) =  99.991%  kept
          QB    ALA   47 - HN    VAL   42  14.33 +/- 1.56   1.558% *  0.3210% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    VAL   42  18.40 +/- 3.18   0.959% *  0.4191% (1.00   0.02   0.02) =   0.004%
    Distance limit 4.46 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 = 0.584, support = 5.07, residual support = 83.2:
          QG2   VAL   42 - HN    VAL   42   3.31 +/- 0.48  48.842% * 87.4933% (0.61   5.32  88.48) =  94.053%  kept
          QG2   VAL   70 - HN    VAL   42   3.94 +/- 1.26  40.526% *  4.5902% (0.14   1.25   0.57) =   4.094%  kept
          QG2   VAL   75 - HN    VAL   42   6.59 +/- 1.75  10.632% *  7.9165% (0.45   0.65   0.02) =   1.852%  kept
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 4.65, residual support = 75.4:
      O   HB    VAL   41 - HN    VAL   41   3.32 +/- 0.45  67.460% * 95.3588% (0.90  10.0   4.68  75.92) =  99.349%  kept
          HB2   LEU   71 - HN    VAL   41   7.09 +/- 1.88  10.021% *  4.0840% (0.61   1.0   1.27   2.94) =   0.632%  kept
          HG12  ILE  103 - HN    VAL   41   9.09 +/- 3.02   6.150% *  0.0813% (0.76   1.0   0.02   0.02) =   0.008%
          QB    LYS+ 102 - HN    VAL   41  10.82 +/- 3.23   3.425% *  0.0813% (0.76   1.0   0.02   0.02) =   0.004%
          HB3   GLN   17 - HN    VAL   41  13.45 +/- 4.06   8.917% *  0.0164% (0.15   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   41  13.83 +/- 1.19   1.178% *  0.1054% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    VAL   41  13.23 +/- 1.48   1.377% *  0.0688% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  19.64 +/- 1.71   0.412% *  0.1006% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  20.15 +/- 5.45   0.622% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.34 +/- 4.27   0.439% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.193, support = 4.32, residual support = 19.9:
          HG    LEU   40 - HN    VAL   41   3.49 +/- 0.68  62.792% * 68.3701% (0.18   4.50  20.77) =  95.730%  kept
          HG    LEU   73 - HN    VAL   41   8.71 +/- 1.51   8.218% * 18.8714% (0.61   0.36   0.02) =   3.458%  kept
          QB    ALA   61 - HN    VAL   41  11.52 +/- 3.19   8.405% *  1.7318% (1.00   0.02   0.02) =   0.325%  kept
          HG12  ILE   19 - HN    VAL   41  11.83 +/- 3.53   4.550% *  1.5566% (0.90   0.02   0.02) =   0.158%  kept
          HB3   LEU   67 - HN    VAL   41  11.01 +/- 2.19   2.566% *  1.6419% (0.95   0.02   0.02) =   0.094%
          HD3   LYS+ 121 - HN    VAL   41  16.59 +/- 8.80   5.467% *  0.5921% (0.34   0.02   0.02) =   0.072%
          HG2   LYS+ 102 - HN    VAL   41  12.60 +/- 3.79   2.279% *  0.8448% (0.49   0.02   0.02) =   0.043%
          QG    LYS+  66 - HN    VAL   41  14.24 +/- 1.56   1.082% *  1.3898% (0.80   0.02   0.02) =   0.034%
          HB3   LYS+  74 - HN    VAL   41  12.82 +/- 1.86   2.242% *  0.5357% (0.31   0.02   0.02) =   0.027%
          HG    LEU   80 - HN    VAL   41  18.94 +/- 3.84   0.602% *  1.6750% (0.97   0.02   0.02) =   0.023%
          QB    ALA  110 - HN    VAL   41  17.78 +/- 2.19   0.599% *  1.6419% (0.95   0.02   0.02) =   0.022%
          HB2   LEU   80 - HN    VAL   41  18.65 +/- 3.12   0.581% *  0.8448% (0.49   0.02   0.02) =   0.011%
          HB3   LEU  115 - HN    VAL   41  18.24 +/- 1.80   0.617% *  0.3040% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.72 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.78, support = 1.48, residual support = 6.41:
          QB    ALA   34 - HN    VAL   41   5.28 +/- 1.78  48.026% * 73.0271% (0.90   1.50   7.86) =  80.978%  kept
          QG2   THR   39 - HN    VAL   41   5.68 +/- 0.92  36.783% * 21.6450% (0.28   1.44   0.27) =  18.383%  kept
          HG3   LYS+  38 - HN    VAL   41   9.77 +/- 0.95   8.000% *  2.9240% (0.53   0.10   0.02) =   0.540%  kept
          QG2   THR   23 - HN    VAL   41  15.90 +/- 1.78   1.667% *  1.0742% (0.99   0.02   0.02) =   0.041%
          QG2   ILE   56 - HN    VAL   41  16.70 +/- 3.44   2.056% *  0.7870% (0.73   0.02   0.02) =   0.037%
          QG2   THR   77 - HN    VAL   41  14.88 +/- 1.46   2.255% *  0.2413% (0.22   0.02   0.02) =   0.013%
          QB    ALA   91 - HN    VAL   41  18.30 +/- 0.90   1.213% *  0.3013% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.41 A violated in 1 structures by 0.34 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.918, support = 4.55, residual support = 20.5:
          QD2   LEU   40 - HN    VAL   41   3.01 +/- 0.80  67.030% * 91.0184% (0.92   4.62  20.77) =  98.528%  kept
          QD2   LEU   71 - HN    VAL   41   6.61 +/- 1.20  13.064% *  6.3755% (0.65   0.46   2.94) =   1.345%  kept
          QD1   LEU   67 - HN    VAL   41   8.69 +/- 1.76   5.923% *  0.4041% (0.95   0.02   0.02) =   0.039%
          QG2   ILE  103 - HN    VAL   41   8.99 +/- 2.32   4.598% *  0.4234% (0.99   0.02   0.02) =   0.031%
          HB    VAL   75 - HN    VAL   41  11.81 +/- 1.78   1.746% *  0.9819% (0.34   0.13   0.02) =   0.028%
          QD1   ILE  103 - HN    VAL   41   8.97 +/- 2.34   4.802% *  0.2248% (0.53   0.02   0.02) =   0.017%
          HG3   LYS+  74 - HN    VAL   41  14.07 +/- 1.75   1.095% *  0.4263% (1.00   0.02   0.02) =   0.008%
          QG2   ILE  119 - HN    VAL   41  15.24 +/- 4.11   1.741% *  0.1457% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.52 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.53, residual support = 75.6:
          QG1   VAL   41 - HN    VAL   41   2.34 +/- 0.42  71.292% * 92.5178% (1.00   4.55  75.92) =  99.556%  kept
          QG1   VAL   43 - HN    VAL   41   7.21 +/- 1.20   4.209% *  6.1815% (0.95   0.32   1.33) =   0.393%  kept
          QD2   LEU  104 - HN    VAL   41   6.81 +/- 2.57  13.396% *  0.0806% (0.20   0.02   0.02) =   0.016%
          QD2   LEU   73 - HN    VAL   41   6.88 +/- 1.00   4.056% *  0.1825% (0.45   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    VAL   41   9.21 +/- 2.52   2.670% *  0.2469% (0.61   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    VAL   41  10.80 +/- 3.05   1.672% *  0.3111% (0.76   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    VAL   41  10.02 +/- 2.64   1.892% *  0.1256% (0.31   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    VAL   41  13.86 +/- 1.55   0.492% *  0.2633% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  16.47 +/- 3.01   0.322% *  0.0906% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.705, support = 4.04, residual support = 70.3:
          QG2   VAL   41 - HN    VAL   41   3.17 +/- 0.72  55.537% * 80.1866% (0.73   4.35  75.92) =  89.545%  kept
          QD2   LEU   98 - HN    VAL   41   5.28 +/- 2.77  27.963% * 18.4270% (0.53   1.38  22.23) =  10.361%  kept
          QD2   LEU   63 - HN    VAL   41   9.99 +/- 2.38   4.239% *  0.4973% (0.98   0.02   0.02) =   0.042%
          QD1   LEU   73 - HN    VAL   41   8.04 +/- 1.56   6.985% *  0.2275% (0.45   0.02   0.02) =   0.032%
          QD1   LEU   63 - HN    VAL   41  10.66 +/- 2.02   2.892% *  0.2275% (0.45   0.02   0.02) =   0.013%
          QD1   LEU   80 - HN    VAL   41  16.05 +/- 4.04   0.708% *  0.2670% (0.53   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    VAL   41  15.19 +/- 2.15   0.899% *  0.0889% (0.18   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    VAL   41  15.61 +/- 3.27   0.777% *  0.0783% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.176, support = 2.62, residual support = 2.61:
          QG2   VAL   70 - HN    VAL   41   5.01 +/- 1.19  87.799% * 98.3945% (0.18   2.63   2.62) =  99.774%  kept
          QG2   THR  118 - HN    VAL   41  13.29 +/- 4.50  12.201% *  1.6055% (0.38   0.02   0.02) =   0.226%  kept
    Distance limit 4.94 A violated in 1 structures by 0.57 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.709, support = 1.25, residual support = 13.0:
          HB2   SER   37 - HN    LEU   40   6.20 +/- 0.32  26.952% * 49.1068% (0.92   1.15   0.49) =  43.050%  kept
          HA    VAL   70 - HN    LEU   40   5.27 +/- 1.62  48.369% * 22.3448% (0.28   1.74  36.27) =  35.155%  kept
          HA1   GLY   16 - HN    LEU   40   9.99 +/- 4.89  23.676% * 28.2919% (0.98   0.63   0.13) =  21.787%  kept
          HA    GLN  116 - HN    LEU   40  20.50 +/- 2.89   1.003% *  0.2565% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.65 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.408, support = 4.13, residual support = 24.4:
          HB    THR   39 - HN    LEU   40   3.82 +/- 0.53  78.599% * 84.3781% (0.41   4.21  24.91) =  97.705%  kept
          HB3   SER   37 - HN    LEU   40   7.41 +/- 0.52  12.742% * 11.7381% (0.28   0.87   0.49) =   2.203%  kept
          HA    GLN   30 - HN    LEU   40  11.90 +/- 1.52   4.291% *  0.9224% (0.95   0.02   0.02) =   0.058%
          QB    SER   13 - HN    LEU   40  14.97 +/- 3.01   2.419% *  0.4372% (0.45   0.02   0.02) =   0.016%
          HD3   PRO   52 - HN    LEU   40  25.96 +/- 4.65   0.478% *  0.9558% (0.98   0.02   0.02) =   0.007%
          HB2   CYS   53 - HN    LEU   40  21.94 +/- 3.44   0.570% *  0.5521% (0.57   0.02   0.02) =   0.005%
          HB3   SER   82 - HN    LEU   40  24.94 +/- 3.66   0.402% *  0.7452% (0.76   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   40  22.39 +/- 2.52   0.498% *  0.2711% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.60 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 = 0.47, support = 0.822, residual support = 6.14:
          QE    LYS+  99 - HN    LEU   40   7.07 +/- 5.59  53.211% * 46.9540% (0.57   0.64   9.48) =  61.725%  kept
          QE    LYS+  38 - HN    LEU   40   6.94 +/- 1.86  33.797% * 45.1759% (0.31   1.13   0.76) =  37.719%  kept
          HB2   PHE   97 - HN    LEU   40  12.05 +/- 3.04   4.046% *  2.4976% (0.97   0.02   1.33) =   0.250%  kept
          HB3   TRP   27 - HN    LEU   40  14.20 +/- 2.05   2.492% *  2.5367% (0.98   0.02   0.02) =   0.156%  kept
          QE    LYS+ 106 - HN    LEU   40  15.97 +/- 3.12   2.067% *  1.4652% (0.57   0.02   0.02) =   0.075%
          HB3   PHE   60 - HN    LEU   40  15.92 +/- 3.14   2.221% *  0.9713% (0.38   0.02   0.02) =   0.053%
          QE    LYS+ 102 - HN    LEU   40  15.26 +/- 3.92   2.166% *  0.3993% (0.15   0.02   0.02) =   0.021%
    Distance limit 4.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.99, residual support = 104.3:
      O   HB2   LEU   40 - HN    LEU   40   2.46 +/- 0.47  96.697% * 99.7221% (0.97  10.0   4.99 104.35) =  99.998%  kept
          HB3   MET   96 - HN    LEU   40  13.70 +/- 1.89   0.750% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    LEU   40  15.30 +/- 2.89   0.788% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    LEU   40  12.08 +/- 3.36   1.294% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.01 +/- 4.41   0.276% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  24.93 +/- 4.00   0.194% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.659, support = 4.98, residual support = 104.3:
      O   HB3   LEU   40 - HN    LEU   40   2.84 +/- 0.52  62.908% * 68.7614% (0.61  10.0   4.80 104.35) =  83.243%  kept
          HG    LEU   40 - HN    LEU   40   4.01 +/- 0.44  28.375% * 30.6694% (0.92   1.0   5.86 104.35) =  16.747%  kept
          HG    LEU   67 - HN    LEU   40  10.11 +/- 2.46   2.438% *  0.1111% (0.98   1.0   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    LEU   40  10.96 +/- 1.55   1.400% *  0.0508% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40   9.89 +/- 2.35   2.791% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   40  18.06 +/- 4.49   0.425% *  0.0947% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   40  15.57 +/- 4.37   0.543% *  0.0642% (0.57   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   40  13.44 +/- 1.19   0.720% *  0.0315% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  20.10 +/- 1.54   0.200% *  0.1047% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  20.32 +/- 2.37   0.201% *  0.0947% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.454, support = 3.33, residual support = 16.7:
          QG2   THR   39 - HN    LEU   40   3.38 +/- 0.70  68.206% * 30.6415% (0.28   4.13  24.91) =  66.568%  kept
          QB    ALA   34 - HN    LEU   40   5.66 +/- 0.69  20.491% * 38.5831% (0.90   1.61   0.40) =  25.182%  kept
          HG3   LYS+  38 - HN    LEU   40   7.58 +/- 0.89   8.726% * 29.5913% (0.53   2.11   0.76) =   8.224%  kept
          QG2   THR   23 - HN    LEU   40  17.26 +/- 1.48   0.721% *  0.5291% (0.99   0.02   0.02) =   0.012%
          QG2   ILE   56 - HN    LEU   40  17.82 +/- 3.18   0.669% *  0.3877% (0.73   0.02   0.02) =   0.008%
          QG2   THR   77 - HN    LEU   40  16.76 +/- 2.10   0.814% *  0.1189% (0.22   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    LEU   40  20.97 +/- 1.11   0.373% *  0.1484% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.904, support = 1.29, residual support = 19.6:
          QG1   VAL   70 - HN    LEU   40   5.99 +/- 1.56  34.067% * 59.9196% (0.84   1.66  36.27) =  51.375%  kept
          QD1   LEU   71 - HN    LEU   40   4.57 +/- 1.43  51.151% * 37.5978% (0.98   0.89   1.92) =  48.402%  kept
          QG1   VAL   18 - HN    LEU   40  10.49 +/- 2.88   4.929% *  0.6262% (0.73   0.02   0.02) =   0.078%
          HB3   LEU  104 - HN    LEU   40  13.12 +/- 3.88   3.345% *  0.7961% (0.92   0.02   0.02) =   0.067%
          QD1   LEU  123 - HN    LEU   40  16.50 +/- 5.20   2.721% *  0.8453% (0.98   0.02   0.02) =   0.058%
          HB3   LEU   63 - HN    LEU   40  13.10 +/- 2.20   3.786% *  0.2150% (0.25   0.02   0.02) =   0.020%
    Distance limit 4.18 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.631, support = 4.15, residual support = 80.4:
          QD2   LEU   40 - HN    LEU   40   3.81 +/- 0.86  50.274% * 66.3796% (0.53   5.03 104.35) =  76.651%  kept
          QD2   LEU   71 - HN    LEU   40   5.24 +/- 1.60  31.836% * 31.7419% (0.98   1.29   1.92) =  23.211%  kept
          QD1   LEU   67 - HN    LEU   40   8.24 +/- 1.95  10.012% *  0.2843% (0.57   0.02   0.02) =   0.065%
          QD1   ILE  103 - HN    LEU   40  12.30 +/- 2.31   2.644% *  0.4635% (0.92   0.02   0.02) =   0.028%
          QG2   ILE  103 - HN    LEU   40  12.19 +/- 2.29   2.705% *  0.3449% (0.69   0.02   0.02) =   0.021%
          QG2   ILE  119 - HN    LEU   40  16.01 +/- 4.06   1.581% *  0.3837% (0.76   0.02   0.02) =   0.014%
          HG3   LYS+  74 - HN    LEU   40  15.34 +/- 2.15   0.948% *  0.4021% (0.80   0.02   0.02) =   0.009%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.15, residual support = 36.3:
          QG2   VAL   70 - HN    LEU   40   4.58 +/- 1.30 100.000% *100.0000% (0.57   6.15  36.27) = 100.000%  kept
    Distance limit 4.49 A violated in 3 structures by 0.52 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.82, residual support = 2.73:
          HA    GLU-  36 - HN    THR   39   6.63 +/- 0.36  20.484% * 77.2202% (0.80   1.91   0.99) =  52.015%  kept
          HA    ALA   34 - HN    THR   39   3.69 +/- 0.94  75.565% * 19.2796% (0.22   1.72   4.63) =  47.907%  kept
          HA    ALA  124 - HN    THR   39  24.91 +/- 8.39   0.919% *  0.9720% (0.97   0.02   0.02) =   0.029%
          HA    ASN   28 - HN    THR   39  13.34 +/- 0.82   2.002% *  0.3780% (0.38   0.02   0.02) =   0.025%
          HA    ARG+  54 - HN    THR   39  26.11 +/- 3.20   0.320% *  0.9033% (0.90   0.02   0.02) =   0.010%
          HA    LYS+  81 - HN    THR   39  26.10 +/- 2.61   0.301% *  0.9033% (0.90   0.02   0.02) =   0.009%
          HA    LEU  115 - HN    THR   39  23.60 +/- 2.25   0.409% *  0.3436% (0.34   0.02   0.02) =   0.005%
    Distance limit 4.38 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 3.18, residual support = 9.86:
          HA    SER   37 - HN    THR   39   4.28 +/- 0.36  53.210% * 56.0971% (0.90   3.15   4.17) =  72.378%  kept
          HA    LEU   40 - HN    THR   39   5.40 +/- 0.27  26.943% * 42.0525% (0.65   3.27  24.91) =  27.473%  kept
          HA    GLU-  15 - HN    THR   39  10.83 +/- 3.30   8.969% *  0.3320% (0.84   0.02   0.02) =   0.072%
          HA    GLN   17 - HN    THR   39  12.24 +/- 3.07   4.880% *  0.3565% (0.90   0.02   0.02) =   0.042%
          HA    SER   13 - HN    THR   39  15.15 +/- 3.22   1.992% *  0.3320% (0.84   0.02   0.02) =   0.016%
          HA    VAL   42 - HN    THR   39  11.29 +/- 0.38   2.940% *  0.1356% (0.34   0.02   0.02) =   0.010%
          HA    PRO   58 - HN    THR   39  20.66 +/- 2.88   0.672% *  0.3183% (0.80   0.02   0.02) =   0.005%
          HA    THR   46 - HN    THR   39  22.49 +/- 1.25   0.393% *  0.3760% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.405, support = 3.74, residual support = 36.3:
      O   HB    THR   39 - HN    THR   39   2.87 +/- 0.48  60.991% * 91.3389% (0.41  10.0   3.80  37.86) =  95.352%  kept
          HB3   SER   37 - HN    THR   39   3.69 +/- 0.56  34.835% *  7.7762% (0.28   1.0   2.52   4.17) =   4.636%  kept
          HA    GLN   30 - HN    THR   39   9.62 +/- 1.38   2.434% *  0.2102% (0.95   1.0   0.02   0.02) =   0.009%
          QB    SER   13 - HN    THR   39  13.42 +/- 3.26   1.264% *  0.0996% (0.45   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    THR   39  28.82 +/- 4.50   0.116% *  0.2178% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  24.86 +/- 2.99   0.142% *  0.1258% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  25.93 +/- 4.57   0.104% *  0.1698% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  24.77 +/- 2.58   0.114% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.693, support = 3.96, residual support = 25.5:
          QG2   THR   39 - HN    THR   39   2.73 +/- 0.67  59.230% * 19.9311% (0.49   3.61  37.86) =  47.574%  kept
          HG3   LYS+  38 - HN    THR   39   5.28 +/- 0.63  11.870% * 55.3071% (0.76   6.37  23.85) =  26.456%  kept
          QB    ALA   34 - HN    THR   39   4.00 +/- 0.64  26.621% * 24.1997% (1.00   2.14   4.63) =  25.961%  kept
          QG2   ILE   56 - HN    THR   39  20.50 +/- 2.88   0.347% *  0.2096% (0.92   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    THR   39  16.64 +/- 1.41   0.341% *  0.1970% (0.87   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    THR   39  11.26 +/- 2.90   1.474% *  0.0449% (0.20   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    THR   39  23.26 +/- 0.84   0.117% *  0.1105% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.63, residual support = 220.1:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  95.612% * 99.7734% (0.80  10.0   6.63 220.08) =  99.997%  kept
          HA    GLU- 100 - HN    LYS+  38  10.04 +/- 5.20   4.006% *  0.0705% (0.57   1.0   0.02   0.02) =   0.003%
          HA    VAL   24 - HN    LYS+  38  17.49 +/- 0.90   0.201% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  24.66 +/- 5.16   0.099% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  25.24 +/- 3.25   0.081% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 220.1:
      O   HB2   LYS+  38 - HN    LYS+  38   3.05 +/- 0.19  81.008% * 99.7624% (1.00  10.0   5.95 220.08) =  99.994%  kept
          QG    GLN   17 - HN    LYS+  38  12.80 +/- 3.04  14.439% *  0.0249% (0.25   1.0   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HN    LYS+  38  14.81 +/- 0.81   0.727% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  12.90 +/- 2.20   2.157% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.56 +/- 1.05   1.243% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    LYS+  38  19.21 +/- 0.86   0.332% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.81 +/- 1.81   0.094% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 220.1:
      O   HB3   LYS+  38 - HN    LYS+  38   3.95 +/- 0.12  73.874% * 99.4497% (0.90  10.0   5.20 220.08) =  99.986%  kept
          HB3   GLN   30 - HN    LYS+  38  10.81 +/- 1.10   3.983% *  0.1099% (0.99   1.0   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LYS+  38   6.61 +/- 0.66  18.123% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    LYS+  38  23.79 +/- 3.64   0.495% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    LYS+  38  19.66 +/- 5.52   1.695% *  0.0247% (0.22   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  18.76 +/- 2.28   0.804% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.01 +/- 3.62   0.319% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.55 +/- 1.77   0.216% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.94 +/- 3.00   0.301% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  29.27 +/- 1.91   0.190% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 220.0:
          HG2   LYS+  38 - HN    LYS+  38   3.40 +/- 0.32  87.286% * 98.4023% (0.65   5.85 220.08) =  99.967%  kept
          HG2   LYS+  99 - HN    LYS+  38  11.13 +/- 4.63   7.032% *  0.2735% (0.53   0.02   0.02) =   0.022%
          HB2   LEU   31 - HN    LYS+  38  10.08 +/- 0.71   3.924% *  0.1158% (0.22   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    LYS+  38  20.35 +/- 1.48   0.463% *  0.4918% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    LYS+  38  23.41 +/- 3.24   0.335% *  0.4918% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LYS+  38  17.08 +/- 1.22   0.814% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  30.27 +/- 3.26   0.145% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 29.4:
      O   HB3   SER   37 - HN    SER   37   2.83 +/- 0.56  75.931% * 93.7060% (0.99  10.0   3.80  29.74) =  98.674%  kept
          HB    THR   39 - HN    SER   37   5.66 +/- 0.80  16.064% *  5.9245% (0.99   1.0   1.26   4.17) =   1.320%  kept
          QB    SER   13 - HN    SER   37  12.71 +/- 3.37   3.661% *  0.0927% (0.98   1.0   0.02   0.02) =   0.005%
          HA    GLN   30 - HN    SER   37   8.54 +/- 0.92   3.649% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    SER   37  26.98 +/- 5.42   0.179% *  0.0723% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  26.72 +/- 2.75   0.123% *  0.0937% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  24.92 +/- 3.79   0.147% *  0.0687% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  30.84 +/- 4.63   0.246% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.71, residual support = 18.9:
          QB    GLU-  36 - HN    SER   37   3.23 +/- 0.35  89.715% * 97.2626% (1.00   3.71  18.93) =  99.900%  kept
          HG3   GLU- 100 - HN    SER   37  11.80 +/- 4.84   6.205% *  1.1494% (0.18   0.25   0.02) =   0.082%
          HB3   GLU-  29 - HN    SER   37  11.36 +/- 1.06   2.387% *  0.4543% (0.87   0.02   0.02) =   0.012%
          HG3   GLU-  29 - HN    SER   37  13.71 +/- 0.92   1.298% *  0.2549% (0.49   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    SER   37  24.00 +/- 2.78   0.270% *  0.5191% (0.99   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    SER   37  30.09 +/- 1.94   0.126% *  0.3597% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.88, residual support = 20.7:
          HG2   LYS+  38 - HN    SER   37   4.96 +/- 0.17  79.696% * 97.5142% (0.38   4.88  20.73) =  99.904%  kept
          HG2   LYS+  99 - HN    SER   37  12.30 +/- 4.39  15.733% *  0.2958% (0.28   0.02   0.02) =   0.060%
          QG2   THR   77 - HN    SER   37  20.40 +/- 1.41   1.230% *  1.0545% (0.99   0.02   0.02) =   0.017%
          QG2   THR   23 - HN    SER   37  16.26 +/- 1.41   2.517% *  0.3629% (0.34   0.02   0.02) =   0.012%
          QB    ALA   88 - HN    SER   37  23.79 +/- 3.14   0.824% *  0.7726% (0.73   0.02   0.02) =   0.008%
    Distance limit 4.62 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.658, support = 5.77, residual support = 49.2:
          HB2   ASN   35 - HN    GLU-  36   3.72 +/- 0.19  62.806% * 90.0066% (0.65   6.05  51.80) =  95.031%  kept
          QE    LYS+  33 - HN    GLU-  36   4.93 +/- 1.10  34.618% *  8.5069% (0.87   0.43   0.02) =   4.951%  kept
          HB2   ASN   28 - HN    GLU-  36  12.94 +/- 0.56   1.574% *  0.4352% (0.95   0.02   0.02) =   0.012%
          QE    LYS+  65 - HN    GLU-  36  20.28 +/- 1.98   0.450% *  0.4591% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  36  24.35 +/- 5.96   0.374% *  0.4352% (0.95   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HN    GLU-  36  26.76 +/- 1.75   0.178% *  0.1569% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 86.3:
          HG2   GLU-  36 - HN    GLU-  36   3.63 +/- 0.35  98.285% * 99.4310% (0.97   4.82  86.34) =  99.996%  kept
          HG3   MET   96 - HN    GLU-  36  18.72 +/- 3.14   1.000% *  0.3425% (0.80   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    GLU-  36  22.47 +/- 2.39   0.472% *  0.1605% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  28.88 +/- 3.31   0.243% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.3:
      O   QB    GLU-  36 - HN    GLU-  36   2.08 +/- 0.09  96.705% * 99.6951% (0.90  10.0   7.31  86.34) =  99.998%  kept
          HB3   GLU-  29 - HN    GLU-  36   9.77 +/- 0.93   1.011% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    GLU-  36  12.51 +/- 4.45   1.512% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  12.08 +/- 0.82   0.515% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  24.12 +/- 3.26   0.073% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.17 +/- 0.49   0.150% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  30.34 +/- 2.54   0.034% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 4.81, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.82 +/- 0.49  75.544% * 97.3041% (0.65   4.82  86.34) =  99.902%  kept
          QG    GLU-  15 - HN    GLU-  36  10.09 +/- 3.10  10.927% *  0.2800% (0.45   0.02   0.02) =   0.042%
          QB    MET   11 - HN    GLU-  36  15.77 +/- 5.10   4.172% *  0.5600% (0.90   0.02   0.02) =   0.032%
          QG    GLU-  14 - HN    GLU-  36  13.07 +/- 2.94   4.655% *  0.1927% (0.31   0.02   0.02) =   0.012%
          HB3   PHE   72 - HN    GLU-  36  12.66 +/- 1.36   2.537% *  0.1557% (0.25   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    GLU-  36  19.40 +/- 1.02   0.655% *  0.2130% (0.34   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    GLU-  36  24.08 +/- 3.24   0.402% *  0.3040% (0.49   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    GLU-  36  25.77 +/- 2.17   0.303% *  0.3535% (0.57   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    GLU-  36  29.83 +/- 2.52   0.187% *  0.4040% (0.65   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    GLU-  36  30.29 +/- 4.24   0.350% *  0.1094% (0.18   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  26.51 +/- 2.58   0.267% *  0.1236% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.453, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  15.21 +/- 1.66  39.147% * 42.5614% (0.57   0.02   0.02) =  61.540%  kept
          HA2   GLY  101 - HD22  ASN   35  12.87 +/- 6.65  55.943% * 14.8773% (0.20   0.02   0.02) =  30.741%  kept
          HD2   PRO   93 - HD22  ASN   35  28.77 +/- 3.39   4.910% * 42.5614% (0.57   0.02   0.02) =   7.718%  kept
    Distance limit 4.92 A violated in 19 structures by 5.65 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.56, residual support = 54.2:
      O   HB2   ASN   35 - HD22  ASN   35   3.81 +/- 0.22  85.167% * 98.0592% (0.76  10.0   3.56  54.27) =  99.804%  kept
          QE    LYS+  33 - HD22  ASN   35   8.71 +/- 1.62  10.259% *  1.5465% (0.76   1.0   0.32   5.28) =   0.190%  kept
          HB2   ASN   28 - HD22  ASN   35  12.68 +/- 1.32   2.768% *  0.1113% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HD22  ASN   35  23.15 +/- 6.65   1.052% *  0.1272% (0.99   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD22  ASN   35  22.23 +/- 1.97   0.491% *  0.1238% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  27.57 +/- 2.73   0.263% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.74, support = 1.58, residual support = 4.11:
          HA    GLN   32 - HD21  ASN   35   3.71 +/- 1.04  68.070% * 40.1529% (0.76   1.36   3.63) =  70.137%  kept
          HA    LYS+  33 - HD21  ASN   35   5.86 +/- 0.67  20.874% * 55.4508% (0.69   2.10   5.28) =  29.702%  kept
          HA    GLU-  29 - HD21  ASN   35   8.90 +/- 0.92   5.816% *  0.6433% (0.83   0.02   0.02) =   0.096%
          HA    VAL   18 - HD21  ASN   35  16.20 +/- 2.19   1.544% *  0.6680% (0.87   0.02   0.02) =   0.026%
          HA    VAL   70 - HD21  ASN   35  15.50 +/- 2.31   2.330% *  0.2890% (0.38   0.02   0.02) =   0.017%
          HB2   SER   82 - HD21  ASN   35  26.21 +/- 7.39   0.433% *  0.7109% (0.92   0.02   0.02) =   0.008%
          HA    ALA   88 - HD21  ASN   35  27.40 +/- 4.90   0.287% *  0.6167% (0.80   0.02   0.02) =   0.005%
          HA    SER   48 - HD21  ASN   35  28.19 +/- 4.84   0.227% *  0.7432% (0.96   0.02   0.02) =   0.004%
          HD2   PRO   52 - HD21  ASN   35  30.96 +/- 5.09   0.178% *  0.4360% (0.57   0.02   0.02) =   0.002%
          HA    GLN  116 - HD21  ASN   35  27.59 +/- 3.21   0.241% *  0.2890% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.61, support = 3.54, residual support = 53.7:
      O   HB2   ASN   35 - HD21  ASN   35   2.88 +/- 0.45  87.064% * 90.3348% (0.61  10.0   3.56  54.27) =  98.806%  kept
          QE    LYS+  33 - HD21  ASN   35   7.63 +/- 1.74  10.313% *  9.1792% (0.90   1.0   1.37   5.28) =   1.189%  kept
          HB2   ASN   28 - HD21  ASN   35  12.05 +/- 1.00   1.722% *  0.1437% (0.96   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HD21  ASN   35  23.33 +/- 6.61   0.489% *  0.1375% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD21  ASN   35  21.97 +/- 2.00   0.269% *  0.1489% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  27.35 +/- 2.45   0.143% *  0.0559% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.66, support = 4.4, residual support = 42.9:
      O   HA    GLN   32 - HN    GLN   32   2.75 +/- 0.05  56.802% * 74.0292% (0.65  10.0   4.49  45.30) =  93.373%  kept
          HA    LYS+  33 - HN    GLN   32   5.24 +/- 0.14   8.332% * 21.5775% (0.80   1.0   4.71  15.28) =   3.992%  kept
          HA    GLU-  29 - HN    GLN   32   3.40 +/- 0.22  30.897% *  3.8289% (0.92   1.0   0.72   0.02) =   2.627%  kept
          HA    VAL   18 - HN    GLN   32  12.74 +/- 2.23   2.553% *  0.1083% (0.95   1.0   0.02   0.02) =   0.006%
          HB2   SER   82 - HN    GLN   32  21.94 +/- 8.28   0.405% *  0.1122% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  14.73 +/- 2.06   0.451% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   32  24.13 +/- 4.22   0.221% *  0.1026% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    GLN   32  24.22 +/- 5.29   0.122% *  0.0786% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.32 +/- 4.06   0.131% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  25.42 +/- 2.61   0.086% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.13, residual support = 156.2:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.02  70.686% * 98.4948% (0.87  10.0   6.14 156.63) =  99.703%  kept
          HA    GLU-  29 - HN    LYS+  33   4.65 +/- 0.67  19.568% *  1.0252% (0.73   1.0   0.25   0.02) =   0.287%  kept
          HA    VAL   18 - HN    LYS+  33  11.90 +/- 2.12   3.772% *  0.0780% (0.69   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   8.25 +/- 0.90   3.419% *  0.0553% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  13.78 +/- 2.30   0.861% *  0.1135% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    LYS+  33  23.33 +/- 7.59   0.338% *  0.0689% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  13.03 +/- 2.31   1.031% *  0.0225% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.75 +/- 2.87   0.129% *  0.1135% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  24.62 +/- 3.82   0.196% *  0.0283% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.34, support = 4.01, residual support = 24.3:
      O   HA    ASN   28 - HN    GLU-  29   3.64 +/- 0.03  32.924% * 74.5921% (0.18  10.0   5.05  32.38) =  74.465%  kept
          HA    THR   26 - HN    GLU-  29   3.27 +/- 0.11  45.405% * 15.3873% (0.95   1.0   0.76   0.75) =  21.184%  kept
          HA    GLU-  25 - HN    GLU-  29   4.78 +/- 0.47  16.098% *  8.8543% (0.22   1.0   1.87   0.02) =   4.322%  kept
          HA    ILE   19 - HN    GLU-  29  11.07 +/- 2.27   2.894% *  0.1751% (0.41   1.0   0.02   0.02) =   0.015%
          HA    ALA   34 - HN    GLU-  29  10.48 +/- 0.56   1.415% *  0.1315% (0.31   1.0   0.02   0.02) =   0.006%
          HA1   GLY  101 - HN    GLU-  29  17.47 +/- 5.24   0.836% *  0.2073% (0.49   1.0   0.02   0.02) =   0.005%
          HA    CYS   53 - HN    GLU-  29  24.59 +/- 2.99   0.134% *  0.2926% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    GLU-  29  28.05 +/- 3.59   0.135% *  0.2755% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  24.99 +/- 3.11   0.160% *  0.0843% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.91, residual support = 94.7:
      O   HB2   ASN   28 - HD22  ASN   28   3.19 +/- 0.08  90.112% * 99.6000% (0.95  10.0   3.91  94.71) =  99.990%  kept
          HB2   ASP-  86 - HD22  ASN   28  15.28 +/- 7.21   3.965% *  0.0996% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+  33 - HD22  ASN   28  10.55 +/- 0.75   2.719% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          QE    LYS+  65 - HD22  ASN   28  16.97 +/- 2.97   1.033% *  0.1051% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HD22  ASN   28  13.27 +/- 1.30   1.434% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  17.67 +/- 3.47   0.736% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.04, residual support = 158.5:
      O   HG2   GLN   30 - HE21  GLN   30   3.99 +/- 0.21  89.737% * 96.1220% (0.61  10.0   4.05 158.85) =  99.721%  kept
          HB3   ASN   28 - HE21  GLN   30  10.11 +/- 1.00   6.250% *  3.8502% (0.84   1.0   0.58  19.12) =   0.278%  kept
          QE    LYS+ 121 - HE21  GLN   30  19.07 +/- 5.42   4.013% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.16, residual support = 158.6:
      O   HG2   GLN   30 - HE22  GLN   30   3.24 +/- 0.41  93.173% * 96.1220% (0.61  10.0   4.17 158.85) =  99.795%  kept
          HB3   ASN   28 - HE22  GLN   30   9.00 +/- 0.82   4.763% *  3.8502% (0.84   1.0   0.58  19.12) =   0.204%  kept
          QE    LYS+ 121 - HE22  GLN   30  18.82 +/- 5.61   2.063% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.55, residual support = 94.7:
      O   HB3   ASN   28 - HD22  ASN   28   3.35 +/- 0.07  88.703% * 99.7665% (0.90  10.0   3.55  94.71) =  99.987%  kept
          HG2   GLN   30 - HD22  ASN   28   7.60 +/- 0.57   8.155% *  0.1110% (1.00   1.0   0.02  19.12) =   0.010%
          QE    LYS+ 121 - HD22  ASN   28  20.50 +/- 6.50   2.238% *  0.0808% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   HIS  122 - HD22  ASN   28  22.44 +/- 5.74   0.904% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.37, residual support = 14.9:
          QG2   VAL   24 - HD22  ASN   28   3.17 +/- 0.35  95.702% * 97.5140% (0.97   1.37  14.89) =  99.948%  kept
          HG    LEU   63 - HD22  ASN   28  16.80 +/- 4.78   3.380% *  1.2752% (0.87   0.02   0.23) =   0.046%
          QG1   VAL  107 - HD22  ASN   28  17.11 +/- 1.95   0.691% *  0.5517% (0.38   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HD22  ASN   28  25.35 +/- 4.40   0.227% *  0.6591% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 6.12, residual support = 92.4:
      O   HA    GLU-  29 - HN    GLU-  29   2.77 +/- 0.03  88.096% * 99.3483% (0.84  10.0   6.12  92.44) =  99.991%  kept
          HA    LYS+  33 - HN    GLU-  29   8.95 +/- 0.65   2.743% *  0.1125% (0.95   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    GLU-  29  12.88 +/- 2.12   1.473% *  0.0952% (0.80   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLU-  29  19.49 +/- 8.90   1.356% *  0.0864% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.68 +/- 0.30   4.200% *  0.0184% (0.15   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  16.93 +/- 2.04   0.471% *  0.1166% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.92 +/- 1.24   0.765% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  22.52 +/- 4.64   0.523% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  25.76 +/- 3.40   0.152% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  23.13 +/- 5.23   0.220% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.22, residual support = 32.4:
          HB2   ASN   28 - HN    GLU-  29   2.39 +/- 0.24  94.911% * 98.7491% (0.97   6.22  32.38) =  99.985%  kept
          QE    LYS+  33 - HN    GLU-  29   8.15 +/- 1.16   3.241% *  0.2951% (0.90   0.02   0.02) =   0.010%
          HB2   ASN   35 - HN    GLU-  29  12.01 +/- 1.08   0.843% *  0.1996% (0.61   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    GLU-  29  18.14 +/- 2.82   0.418% *  0.3290% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  29  18.80 +/- 6.73   0.396% *  0.3037% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  20.23 +/- 3.40   0.192% *  0.1235% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.698, support = 5.57, residual support = 31.0:
          HB3   ASN   28 - HN    GLU-  29   3.33 +/- 0.19  77.533% * 47.0552% (0.65   5.79  32.38) =  76.741%  kept
          HG2   GLN   30 - HN    GLU-  29   5.52 +/- 0.66  21.039% * 52.5449% (0.87   4.83  26.36) =  23.253%  kept
          QE    LYS+ 121 - HN    GLU-  29  22.36 +/- 6.20   0.831% *  0.2375% (0.95   0.02   0.02) =   0.004%
          HB3   HIS  122 - HN    GLU-  29  24.23 +/- 5.83   0.597% *  0.1624% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.11 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 = 5.41, residual support = 92.4:
          HG2   GLU-  29 - HN    GLU-  29   2.91 +/- 0.38  91.370% * 97.7610% (0.57   5.41  92.44) =  99.977%  kept
          QG    GLN   32 - HN    GLU-  29   7.16 +/- 0.44   6.676% *  0.1775% (0.28   0.02   0.02) =   0.013%
          HB3   PHE   45 - HN    GLU-  29  19.02 +/- 2.62   0.428% *  0.6328% (0.99   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    GLU-  29  19.05 +/- 7.38   1.016% *  0.2625% (0.41   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    GLU-  29  24.10 +/- 4.62   0.247% *  0.6328% (0.99   0.02   0.02) =   0.002%
          HB    VAL  107 - HN    GLU-  29  22.05 +/- 2.18   0.263% *  0.5333% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.96 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 = 0.584, support = 5.39, residual support = 15.3:
          HA    ASN   28 - HN    GLN   30   3.96 +/- 0.09  36.991% * 66.9298% (0.45   6.86  19.12) =  72.978%  kept
          HA    THR   26 - HN    GLN   30   4.35 +/- 0.43  29.491% * 30.5750% (0.97   1.46   4.87) =  26.579%  kept
          HA1   GLY  101 - HN    LYS+  99   5.60 +/- 0.49  14.104% *  0.8961% (0.05   0.75   1.39) =   0.373%  kept
          HA    ALA   34 - HN    GLN   30   8.20 +/- 0.65   4.418% *  0.2817% (0.65   0.02   1.69) =   0.037%
          HA    ILE   19 - HN    GLN   30   9.14 +/- 1.91   7.768% *  0.0672% (0.15   0.02  14.76) =   0.015%
          HA1   GLY  101 - HN    GLN   30  16.58 +/- 4.60   1.072% *  0.3637% (0.84   0.02   0.02) =   0.011%
          HA    GLU- 114 - HN    GLN   30  26.86 +/- 3.18   0.180% *  0.4119% (0.95   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    GLN   30  23.66 +/- 2.77   0.240% *  0.2120% (0.49   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  23.33 +/- 2.66   0.230% *  0.1485% (0.34   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    LYS+  99  12.85 +/- 3.44   1.693% *  0.0185% (0.04   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  14.83 +/- 4.24   1.627% *  0.0128% (0.03   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  19.03 +/- 3.51   0.536% *  0.0276% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  20.58 +/- 2.84   0.315% *  0.0271% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  18.59 +/- 3.25   0.448% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.87 +/- 3.61   0.409% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.09 +/- 2.80   0.480% *  0.0044% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 6.42, residual support = 26.3:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.01  62.756% * 98.3483% (1.00  10.0   6.43  26.36) =  99.838%  kept
          HA    GLN   32 - HN    GLN   30   6.85 +/- 0.15   8.406% *  1.0231% (0.38   1.0   0.55   1.75) =   0.139%  kept
          HA    LYS+  33 - HN    GLN   30   7.47 +/- 0.47   6.704% *  0.0966% (0.98   1.0   0.02   0.30) =   0.010%
          HA    VAL   18 - HN    GLN   30  10.75 +/- 1.80   4.357% *  0.0977% (0.99   1.0   0.02   0.02) =   0.007%
          HB2   SER   82 - HN    GLN   30  19.86 +/- 8.09   1.371% *  0.0951% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    GLN   30  14.58 +/- 1.98   1.151% *  0.0753% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   30  21.55 +/- 4.10   0.636% *  0.0638% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  11.65 +/- 1.27   1.952% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  24.34 +/- 3.07   0.250% *  0.0753% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  22.95 +/- 4.63   0.307% *  0.0405% (0.41   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  13.11 +/- 4.01   2.142% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.08 +/- 3.69   0.273% *  0.0219% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.41 +/- 3.81   0.926% *  0.0064% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  15.92 +/- 3.03   0.890% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  23.44 +/- 4.05   1.272% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.75 +/- 3.45   0.805% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  14.30 +/- 4.00   1.718% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.15 +/- 4.44   0.419% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  14.00 +/- 3.77   2.397% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  20.13 +/- 3.74   0.420% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.78 +/- 3.75   0.429% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.29 +/- 3.97   0.419% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 158.8:
      O   HA    GLN   30 - HN    GLN   30   2.80 +/- 0.02  87.430% * 99.5516% (0.92  10.0   6.41 158.85) =  99.996%  kept
          QB    SER   13 - HN    GLN   30  13.88 +/- 3.75   1.874% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  19.57 +/- 7.94   1.009% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLN   30  12.07 +/- 1.69   1.363% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.45 +/- 1.50   1.554% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    GLN   30  26.39 +/- 4.02   0.194% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.79 +/- 2.80   0.210% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  21.67 +/- 3.62   0.235% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  12.49 +/- 3.42   1.401% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.28 +/- 5.39   1.216% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  15.63 +/- 2.66   0.634% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  14.86 +/- 4.02   1.552% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.15 +/- 3.59   0.440% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.55 +/- 4.07   0.237% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  22.04 +/- 4.16   0.279% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  18.17 +/- 3.03   0.372% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.981, support = 6.94, residual support = 135.6:
          HG2   GLN   30 - HN    GLN   30   3.42 +/- 0.48  68.195% * 63.0682% (1.00   7.38 158.85) =  83.344%  kept
          HB3   ASN   28 - HN    GLN   30   5.06 +/- 0.11  23.410% * 36.7093% (0.90   4.78  19.12) =  16.653%  kept
          QE    LYS+ 121 - HN    GLN   30  21.02 +/- 6.06   0.621% *  0.1245% (0.73   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    LYS+  99  14.95 +/- 8.12   3.701% *  0.0082% (0.05   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    GLN   30  22.66 +/- 5.71   0.415% *  0.0643% (0.38   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LYS+  99  16.45 +/- 4.50   1.549% *  0.0101% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  16.48 +/- 2.66   0.885% *  0.0112% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  19.08 +/- 7.96   1.223% *  0.0042% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.95, residual support = 158.8:
      O   HB3   GLN   30 - HN    GLN   30   2.58 +/- 0.46  69.424% * 98.7410% (0.69  10.0   6.95 158.85) =  99.976%  kept
          QB    LYS+  33 - HN    GLN   30   5.36 +/- 0.77  11.771% *  0.1044% (0.73   1.0   0.02   0.30) =   0.018%
          HB3   LYS+  38 - HN    GLN   30  14.57 +/- 1.66   0.540% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    GLN   30  18.85 +/- 4.00   0.800% *  0.0700% (0.49   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  19.53 +/- 5.64   0.378% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  17.79 +/- 2.37   0.362% *  0.1289% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.03 +/- 0.37   6.966% *  0.0050% (0.03   1.0   0.02   0.48) =   0.001%
          HB    ILE  103 - HN    GLN   30  17.99 +/- 3.86   0.365% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.78 +/- 2.76   0.280% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.27 +/- 0.76   2.055% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  24.01 +/- 3.86   0.137% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.69 +/- 2.75   0.111% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.81 +/- 0.63   2.380% *  0.0057% (0.04   1.0   0.02   0.41) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.77 +/- 3.33   0.134% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  12.63 +/- 4.60   1.182% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  26.23 +/- 4.14   0.113% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  22.40 +/- 3.57   0.152% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  14.68 +/- 2.76   0.756% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  14.45 +/- 2.45   0.624% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  18.20 +/- 3.66   0.330% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  22.51 +/- 3.91   0.165% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  21.34 +/- 4.63   0.439% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.48 +/- 2.98   0.159% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  21.67 +/- 2.34   0.146% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.07 +/- 1.41   0.128% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.66 +/- 3.46   0.101% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 5.63, residual support = 49.4:
          HG    LEU   31 - HN    GLN   30   4.59 +/- 0.60  36.721% * 89.6687% (0.80   5.86  51.48) =  95.564%  kept
          QD2   LEU   73 - HN    GLN   30   6.69 +/- 1.75  15.814% *  9.5499% (0.92   0.54   5.70) =   4.383%  kept
          QG1   VAL   41 - HN    GLN   30   8.42 +/- 2.77  11.523% *  0.0953% (0.25   0.02   0.02) =   0.032%
          QD1   ILE   56 - HN    GLN   30  19.89 +/- 2.33   0.566% *  0.3811% (1.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LYS+  99   6.71 +/- 2.62  23.149% *  0.0063% (0.02   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HN    GLN   30  23.77 +/- 6.53   0.608% *  0.2163% (0.57   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    LYS+  99  10.77 +/- 1.42   3.348% *  0.0232% (0.06   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LYS+  99  12.51 +/- 3.68   3.496% *  0.0201% (0.05   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LYS+  99  16.37 +/- 9.70   4.088% *  0.0142% (0.04   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LYS+  99  18.59 +/- 3.23   0.686% *  0.0250% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.725, support = 2.0, residual support = 4.86:
          QG2   THR   26 - HN    GLN   30   3.96 +/- 0.18  66.647% * 94.2903% (0.73   2.00   4.87) =  99.845%  kept
          HB2   LYS+  74 - HN    GLN   30  12.51 +/- 1.50   2.468% *  1.2283% (0.95   0.02   0.02) =   0.048%
          HB3   LEU   40 - HN    GLN   30  14.45 +/- 2.11   2.217% *  0.9429% (0.73   0.02   0.02) =   0.033%
          HG2   LYS+  65 - HN    GLN   30  17.25 +/- 2.46   1.579% *  0.8400% (0.65   0.02   0.02) =   0.021%
          HB3   LEU   40 - HN    LYS+  99   8.79 +/- 4.25  14.159% *  0.0619% (0.05   0.02   9.48) =   0.014%
          HD2   LYS+ 121 - HN    GLN   30  23.09 +/- 6.06   1.058% *  0.7352% (0.57   0.02   0.02) =   0.012%
          QB    ALA  120 - HN    GLN   30  21.86 +/- 3.92   0.889% *  0.6320% (0.49   0.02   0.02) =   0.009%
          QD    LYS+  66 - HN    GLN   30  18.13 +/- 3.07   1.298% *  0.2891% (0.22   0.02   0.02) =   0.006%
          HG    LEU  115 - HN    GLN   30  23.65 +/- 2.77   0.423% *  0.6320% (0.49   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    LYS+  99  16.84 +/- 8.86   3.385% *  0.0483% (0.04   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    LYS+  99  15.82 +/- 2.50   1.398% *  0.0619% (0.05   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  99  17.48 +/- 1.89   0.932% *  0.0807% (0.06   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  99  16.95 +/- 5.23   1.734% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  20.19 +/- 1.92   0.544% *  0.0552% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.91 +/- 2.63   0.607% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  19.36 +/- 2.37   0.663% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.392, support = 6.42, residual support = 158.8:
      O   HB2   GLN   30 - HN    GLN   30   2.89 +/- 0.69  53.405% * 86.8433% (0.41  10.0   6.42 158.85) =  91.926%  kept
          HG3   GLN   30 - HN    GLN   30   3.82 +/- 0.68  33.904% * 12.0051% (0.18   1.0   6.49 158.85) =   8.067%  kept
          HB2   GLU-  14 - HN    GLN   30  14.17 +/- 2.87   0.902% *  0.1111% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    GLN   30  21.65 +/- 2.39   0.210% *  0.2039% (0.97   1.0   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLN   30  19.58 +/- 4.51   0.312% *  0.1196% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+  99   6.25 +/- 0.58   7.012% *  0.0047% (0.02   1.0   0.02  39.00) =   0.001%
          HB3   GLU- 100 - HN    GLN   30  16.12 +/- 3.26   0.434% *  0.0721% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    GLN   30  22.43 +/- 2.94   0.142% *  0.1367% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.30 +/- 3.83   0.119% *  0.1534% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  23.83 +/- 3.61   0.190% *  0.0868% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  23.24 +/- 2.92   0.133% *  0.0947% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.17 +/- 4.07   0.111% *  0.0947% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.16 +/- 1.51   0.515% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.51 +/- 5.05   0.608% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  14.88 +/- 2.62   0.566% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.51 +/- 0.56   0.193% *  0.0134% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  21.67 +/- 4.62   0.249% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  19.85 +/- 5.03   0.261% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.52 +/- 6.35   0.154% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  16.07 +/- 2.71   0.389% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  26.86 +/- 3.56   0.091% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.84 +/- 4.13   0.103% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.933, support = 5.66, residual support = 26.4:
          HB3   GLU-  29 - HN    GLN   30   3.92 +/- 0.24  54.716% * 42.9905% (0.90   5.20  26.36) =  56.021%  kept
          HG3   GLU-  29 - HN    GLN   30   4.80 +/- 0.49  32.698% * 56.4500% (0.98   6.24  26.36) =  43.959%  kept
          QB    GLU-  36 - HN    GLN   30   9.44 +/- 0.59   3.960% *  0.1119% (0.61   0.02   0.02) =   0.011%
          HB2   LYS+  38 - HN    GLN   30  14.24 +/- 1.39   1.489% *  0.1119% (0.61   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    GLN   30  17.04 +/- 5.01   1.225% *  0.0970% (0.53   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  24.41 +/- 4.02   0.287% *  0.1828% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  13.76 +/- 4.36   2.002% *  0.0074% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  14.93 +/- 3.02   1.474% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.19 +/- 3.40   0.673% *  0.0119% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.17 +/- 3.09   0.689% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  22.31 +/- 2.16   0.319% *  0.0120% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  20.91 +/- 3.23   0.468% *  0.0064% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.44, residual support = 92.4:
      O   HB2   GLU-  29 - HN    GLU-  29   2.37 +/- 0.31  97.553% * 99.4303% (0.76  10.0   5.44  92.44) =  99.998%  kept
          HG2   GLU- 100 - HN    GLU-  29  17.18 +/- 4.05   1.014% *  0.1042% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLU-  29  16.42 +/- 2.91   0.452% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  21.62 +/- 2.68   0.161% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.71 +/- 3.09   0.367% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.49 +/- 3.90   0.117% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  23.88 +/- 3.55   0.152% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  21.76 +/- 4.12   0.184% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.784, support = 5.55, residual support = 92.3:
      O   HB3   GLU-  29 - HN    GLU-  29   3.46 +/- 0.21  34.712% * 66.8140% (0.65  10.0   4.91  92.44) =  56.370%  kept
          HG3   GLU-  29 - HN    GLU-  29   2.90 +/- 0.29  56.124% * 31.8455% (0.97   1.0   6.39  92.44) =  43.441%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.95 +/- 0.38   6.976% *  1.1007% (0.14   1.0   1.57   0.02) =   0.187%  kept
          QB    GLU-  36 - HN    GLU-  29  10.84 +/- 0.72   1.155% *  0.0352% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  29  16.22 +/- 1.32   0.365% *  0.0896% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  17.46 +/- 5.43   0.541% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  24.76 +/- 4.56   0.127% *  0.0863% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.966, support = 3.27, residual support = 158.8:
      O   HG3   GLN   30 - HE21  GLN   30   3.87 +/- 0.22  39.877% * 85.8664% (0.99  10.0   3.17 158.85) =  87.045%  kept
          HB2   GLN   30 - HE21  GLN   30   4.04 +/- 0.64  37.278% * 13.6433% (0.80   1.0   3.93 158.85) =  12.929%  kept
          HB2   GLN   17 - HE21  GLN   30   9.49 +/- 2.26  10.836% *  0.0422% (0.49   1.0   0.02   0.02) =   0.012%
          QB    GLU-  15 - HE21  GLN   30   9.05 +/- 2.57   6.582% *  0.0422% (0.49   1.0   0.02   0.02) =   0.007%
          HB3   GLU- 100 - HE21  GLN   30  15.86 +/- 3.13   1.049% *  0.0751% (0.87   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HE21  GLN   30  21.21 +/- 3.92   0.881% *  0.0694% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HE21  GLN   30  15.63 +/- 2.22   0.728% *  0.0751% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HE21  GLN   30  12.25 +/- 1.82   1.628% *  0.0267% (0.31   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HE21  GLN   30  20.82 +/- 2.60   0.295% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.76 +/- 3.57   0.238% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.31 +/- 3.73   0.184% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.47 +/- 2.25   0.423% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.331, support = 2.1, residual support = 14.7:
          QD1   ILE   19 - HE21  GLN   30   4.19 +/- 1.39  42.242% * 69.1446% (0.41   2.13  14.76) =  66.119%  kept
          QG2   ILE   19 - HE21  GLN   30   3.59 +/- 0.68  52.698% * 28.3067% (0.18   2.05  14.76) =  33.769%  kept
          QD1   LEU   98 - HE21  GLN   30  11.98 +/- 2.74   2.381% *  1.4133% (0.90   0.02   0.02) =   0.076%
          QD2   LEU  104 - HE21  GLN   30  13.37 +/- 2.26   1.470% *  0.8922% (0.57   0.02   0.02) =   0.030%
          QG2   THR   46 - HE21  GLN   30  13.54 +/- 1.59   1.210% *  0.2432% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.318, support = 2.16, residual support = 14.7:
          QD1   ILE   19 - HE22  GLN   30   4.34 +/- 1.22  39.036% * 67.0372% (0.41   2.11  14.76) =  60.711%  kept
          QG2   ILE   19 - HE22  GLN   30   3.43 +/- 0.42  55.416% * 30.4579% (0.18   2.25  14.76) =  39.158%  kept
          QD1   LEU   98 - HE22  GLN   30  11.51 +/- 2.93   2.904% *  1.3891% (0.90   0.02   0.02) =   0.094%
          QD2   LEU  104 - HE22  GLN   30  13.16 +/- 2.20   1.562% *  0.8769% (0.57   0.02   0.02) =   0.032%
          QG2   THR   46 - HE22  GLN   30  13.21 +/- 1.55   1.082% *  0.2390% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 44.5:
      O   HA    LEU   31 - HN    GLN   32   3.60 +/- 0.04  99.286% * 99.9819% (0.97  10.0   5.92  44.53) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  20.24 +/- 3.22   0.714% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.39, residual support = 45.3:
          QG    GLN   32 - HN    GLN   32   3.73 +/- 0.34  93.737% * 98.8989% (0.99   4.39  45.30) =  99.988%  kept
          QG    GLU-  79 - HN    GLN   32  18.15 +/- 4.01   1.399% *  0.3642% (0.80   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    GLN   32  14.35 +/- 3.82   2.803% *  0.1013% (0.22   0.02   0.02) =   0.003%
          HB    VAL  107 - HN    GLN   32  21.49 +/- 1.87   0.571% *  0.3124% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  20.07 +/- 2.50   0.739% *  0.1265% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  24.32 +/- 3.69   0.450% *  0.1265% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  27.02 +/- 2.66   0.301% *  0.0702% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.43, residual support = 45.3:
      O   QB    GLN   32 - HN    GLN   32   2.11 +/- 0.07  97.782% * 99.6924% (0.90  10.0   4.43  45.30) =  99.998%  kept
          HG3   GLU- 100 - HN    GLN   32  14.26 +/- 3.85   0.694% *  0.1090% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  19.76 +/- 4.15   0.810% *  0.0764% (0.69   1.0   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    GLN   32  12.03 +/- 0.49   0.535% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   32  19.98 +/- 4.42   0.179% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.749, support = 2.97, residual support = 5.86:
          HB3   GLN   30 - HN    GLN   32   5.25 +/- 0.22  38.190% * 73.6673% (0.99   2.51   1.75) =  69.501%  kept
          QB    LYS+  33 - HN    GLN   32   4.72 +/- 0.33  52.236% * 23.5665% (0.20   4.02  15.28) =  30.411%  kept
          HB3   LYS+  38 - HN    GLN   32  12.17 +/- 1.29   3.999% *  0.5311% (0.90   0.02   0.02) =   0.052%
          HB2   MET   92 - HN    GLN   32  25.77 +/- 3.46   0.515% *  0.5870% (0.99   0.02   0.02) =   0.007%
          HB3   PRO   58 - HN    GLN   32  23.92 +/- 3.28   0.519% *  0.5311% (0.90   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HN    GLN   32  18.01 +/- 3.01   1.161% *  0.2020% (0.34   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    GLN   32  20.16 +/- 5.39   1.653% *  0.1319% (0.22   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    GLN   32  21.77 +/- 5.53   0.942% *  0.1828% (0.31   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    GLN   32  25.38 +/- 2.75   0.381% *  0.4526% (0.76   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    GLN   32  25.73 +/- 4.10   0.403% *  0.1477% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.5:
          HB2   LEU   31 - HN    GLN   32   2.70 +/- 0.24  91.283% * 97.3707% (0.98   5.92  44.53) =  99.977%  kept
          HG    LEU   98 - HN    GLN   32  13.07 +/- 4.60   2.152% *  0.2169% (0.65   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    GLN   32  23.71 +/- 6.37   1.650% *  0.2563% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    GLN   32  14.41 +/- 3.19   1.195% *  0.2435% (0.73   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    GLN   32  11.58 +/- 0.99   1.248% *  0.2034% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    GLN   32  19.72 +/- 6.59   0.571% *  0.3346% (1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    GLN   32  18.77 +/- 3.47   0.517% *  0.3236% (0.97   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    GLN   32  17.47 +/- 1.48   0.388% *  0.3008% (0.90   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLN   32  18.93 +/- 4.26   0.426% *  0.1764% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLN   32  28.77 +/- 3.53   0.100% *  0.3172% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.33 +/- 2.26   0.175% *  0.1632% (0.49   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  20.60 +/- 4.21   0.294% *  0.0932% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.5:
          HB3   LEU   31 - HN    GLN   32   3.84 +/- 0.20  88.887% * 98.9125% (0.98   5.92  44.53) =  99.978%  kept
          QG1   VAL   24 - HN    GLN   32  10.51 +/- 0.55   4.664% *  0.1929% (0.57   0.02   0.02) =   0.010%
          QB    ALA   20 - HN    GLN   32  12.04 +/- 1.17   3.264% *  0.1793% (0.53   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    GLN   32  23.53 +/- 3.63   0.583% *  0.3288% (0.97   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    GLN   32  24.34 +/- 7.47   1.442% *  0.0674% (0.20   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    GLN   32  18.79 +/- 1.82   0.858% *  0.0850% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    GLN   32  27.89 +/- 3.73   0.303% *  0.2341% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.42, residual support = 15.3:
          QG    GLN   32 - HN    LYS+  33   4.28 +/- 0.19  95.956% * 98.6642% (0.84   4.42  15.28) =  99.986%  kept
          QG    GLU-  79 - HN    LYS+  33  18.79 +/- 3.80   1.684% *  0.2809% (0.53   0.02   0.02) =   0.005%
          HB    VAL  107 - HN    LYS+  33  22.06 +/- 1.97   0.762% *  0.4929% (0.92   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    LYS+  33  20.85 +/- 1.90   0.916% *  0.2809% (0.53   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    LYS+  33  24.66 +/- 3.93   0.682% *  0.2809% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 15.3:
          QB    GLN   32 - HN    LYS+  33   2.83 +/- 0.15  93.358% * 98.5954% (1.00   4.58  15.28) =  99.983%  kept
          HB2   PRO   68 - HN    LYS+  33  18.86 +/- 3.85   1.229% *  0.3971% (0.92   0.02   0.02) =   0.005%
          HG3   GLU- 100 - HN    LYS+  33  14.14 +/- 3.55   1.412% *  0.3445% (0.80   0.02   0.02) =   0.005%
          HB    VAL   24 - HN    LYS+  33  13.62 +/- 0.42   0.867% *  0.4264% (0.99   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HN    LYS+  33  13.60 +/- 2.93   2.779% *  0.0664% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    LYS+  33  28.81 +/- 4.42   0.194% *  0.0851% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  24.88 +/- 2.59   0.160% *  0.0851% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 6.12, residual support = 156.4:
      O   QB    LYS+  33 - HN    LYS+  33   2.37 +/- 0.21  86.732% * 97.8885% (0.97  10.0   6.12 156.63) =  99.876%  kept
          HB3   GLN   30 - HN    LYS+  33   5.39 +/- 0.30   8.075% *  1.2620% (0.38   1.0   0.66   0.30) =   0.120%  kept
          HG3   PRO   68 - HN    LYS+  33  18.68 +/- 4.08   2.152% *  0.0812% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    LYS+  33  10.95 +/- 1.11   1.426% *  0.0574% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  33  18.08 +/- 3.92   0.296% *  0.0847% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.71 +/- 2.39   0.196% *  0.1012% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  20.03 +/- 2.77   0.213% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  22.78 +/- 4.95   0.148% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.58 +/- 3.51   0.080% *  0.0880% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  26.95 +/- 3.31   0.068% *  0.1005% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.61 +/- 2.77   0.090% *  0.0737% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  26.17 +/- 5.39   0.241% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.62 +/- 2.81   0.078% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  23.88 +/- 3.17   0.126% *  0.0137% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.87 +/- 3.60   0.078% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.62, residual support = 156.6:
          HG2   LYS+  33 - HN    LYS+  33   3.41 +/- 0.37  98.933% * 98.6692% (0.61   4.62 156.63) =  99.993%  kept
          HG2   LYS+ 106 - HN    LYS+  33  21.20 +/- 2.98   0.564% *  0.6802% (0.97   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LYS+  33  22.85 +/- 4.81   0.502% *  0.6506% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.368, support = 5.62, residual support = 147.3:
          HG3   LYS+  33 - HN    LYS+  33   2.63 +/- 0.74  73.175% * 74.6406% (0.38   5.84 156.63) =  94.022%  kept
          HB2   LEU   31 - HN    LYS+  33   4.95 +/- 0.16  17.619% * 19.4936% (0.25   2.29   0.98) =   5.912%  kept
          HB3   LEU   73 - HN    LYS+  33  11.25 +/- 2.30   3.350% *  0.3585% (0.53   0.02   0.02) =   0.021%
          HG    LEU   98 - HN    LYS+  33  13.61 +/- 3.93   1.601% *  0.5910% (0.87   0.02   0.02) =   0.016%
          QB    ALA   84 - HN    LYS+  33  19.94 +/- 3.65   0.365% *  0.6445% (0.95   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    LYS+  33  13.74 +/- 1.10   0.720% *  0.3055% (0.45   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    LYS+  33  23.62 +/- 6.62   0.371% *  0.5207% (0.76   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LYS+  33  18.36 +/- 4.34   0.461% *  0.3857% (0.57   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LYS+  33  17.81 +/- 1.30   0.387% *  0.4133% (0.61   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LYS+  33  19.56 +/- 2.34   0.520% *  0.3055% (0.45   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LYS+  33  20.38 +/- 3.03   0.297% *  0.5207% (0.76   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    LYS+  33  20.82 +/- 6.17   0.465% *  0.2557% (0.38   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    LYS+  33  18.65 +/- 3.39   0.324% *  0.3316% (0.49   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LYS+  33  23.92 +/- 2.08   0.159% *  0.6575% (0.97   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LYS+  33  28.02 +/- 3.65   0.101% *  0.4408% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  29.55 +/- 3.42   0.085% *  0.1348% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.648, support = 0.808, residual support = 0.973:
          QD2   LEU   31 - HN    LYS+  33   5.14 +/- 0.14  92.023% * 93.1175% (0.65   0.81   0.98) =  99.678%  kept
          QG2   VAL   83 - HN    LYS+  33  16.60 +/- 4.76   5.184% *  3.5215% (0.99   0.02   0.02) =   0.212%  kept
          QD1   ILE   89 - HN    LYS+  33  17.84 +/- 3.01   2.793% *  3.3609% (0.95   0.02   0.02) =   0.109%  kept
    Distance limit 4.69 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 = 0.877, support = 3.22, residual support = 4.98:
          HA    LYS+  33 - HN    ASN   35   3.49 +/- 0.10  45.970% * 75.6613% (0.98   3.43   5.28) =  83.282%  kept
          HA    GLN   32 - HN    ASN   35   3.83 +/- 0.20  35.359% * 18.9429% (0.38   2.24   3.63) =  16.038%  kept
          HB2   SER   37 - HN    ASN   35   6.30 +/- 0.64   8.660% *  2.7998% (0.15   0.81   0.02) =   0.581%  kept
          HA    GLU-  29 - HN    ASN   35   8.05 +/- 0.48   3.834% *  0.4495% (1.00   0.02   0.02) =   0.041%
          HA    VAL   18 - HN    ASN   35  13.11 +/- 2.02   3.713% *  0.4465% (0.99   0.02   0.02) =   0.040%
          HA    VAL   70 - HN    ASN   35  12.64 +/- 2.31   1.588% *  0.3443% (0.76   0.02   0.02) =   0.013%
          HB2   SER   82 - HN    ASN   35  25.10 +/- 6.76   0.250% *  0.4347% (0.97   0.02   0.02) =   0.003%
          HA    SER   48 - HN    ASN   35  25.88 +/- 3.87   0.186% *  0.2914% (0.65   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ASN   35  25.73 +/- 2.69   0.132% *  0.3443% (0.76   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  26.50 +/- 4.19   0.129% *  0.1852% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  28.75 +/- 4.23   0.180% *  0.1003% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.95, residual support = 51.8:
          HA    GLU-  36 - HN    ASN   35   4.97 +/- 0.09  83.028% * 98.5241% (0.97   3.95  51.80) =  99.961%  kept
          HA    ALA  124 - HN    ASN   35  26.69 +/- 8.45   3.204% *  0.4134% (0.80   0.02   0.02) =   0.016%
          HA    ASN   28 - HN    ASN   35   9.64 +/- 0.41  11.738% *  0.1022% (0.20   0.02   0.02) =   0.015%
          HA    LYS+  81 - HN    ASN   35  25.86 +/- 4.35   0.762% *  0.5152% (1.00   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    ASN   35  27.79 +/- 3.27   0.575% *  0.3547% (0.69   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASN   35  25.30 +/- 2.22   0.694% *  0.0904% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.83 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.395, support = 5.41, residual support = 48.1:
      O   HB2   ASN   35 - HN    ASN   35   3.15 +/- 0.46  69.626% * 71.0719% (0.31  10.0   5.83  54.27) =  87.437%  kept
          QE    LYS+  33 - HN    ASN   35   5.18 +/- 1.05  25.278% * 28.1012% (1.00   1.0   2.45   5.28) =  12.552%  kept
          HB2   ASN   28 - HN    ASN   35  11.34 +/- 0.43   1.620% *  0.2222% (0.97   1.0   0.02   0.02) =   0.006%
          HB2   ASN   69 - HN    ASN   35  16.11 +/- 3.34   2.288% *  0.0403% (0.18   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ASN   35  19.42 +/- 1.87   0.355% *  0.1997% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ASN   35  22.43 +/- 6.19   0.401% *  0.1490% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  25.25 +/- 1.89   0.157% *  0.1582% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.43 +/- 1.97   0.275% *  0.0574% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.47, residual support = 21.5:
          QB    ALA   34 - HN    ASN   35   3.01 +/- 0.06  81.683% * 98.0848% (0.92   3.47  21.48) =  99.941%  kept
          QG2   THR   39 - HN    ASN   35   6.66 +/- 1.27  11.253% *  0.1891% (0.31   0.02   0.02) =   0.027%
          HG3   LYS+  38 - HN    ASN   35   7.66 +/- 0.87   5.545% *  0.3469% (0.57   0.02   0.02) =   0.024%
          QG2   THR   23 - HN    ASN   35  14.71 +/- 1.14   0.750% *  0.6006% (0.98   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    ASN   35  21.89 +/- 2.78   0.276% *  0.4683% (0.76   0.02   0.02) =   0.002%
          QG2   THR   77 - HN    ASN   35  19.45 +/- 1.49   0.320% *  0.1213% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  23.85 +/- 1.73   0.173% *  0.1891% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.87, residual support = 94.7:
      O   HB2   ASN   28 - HD21  ASN   28   3.95 +/- 0.04  82.174% * 99.6076% (0.97  10.0   3.87  94.71) =  99.981%  kept
          HB2   ASP-  86 - HD21  ASN   28  14.61 +/- 7.48   9.384% *  0.0953% (0.92   1.0   0.02   0.02) =   0.011%
          QE    LYS+  33 - HD21  ASN   28  12.00 +/- 0.79   3.123% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD21  ASN   28  17.44 +/- 3.40   2.058% *  0.1032% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD21  ASN   28  14.60 +/- 1.35   1.830% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   28  17.32 +/- 3.74   1.430% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.51, residual support = 94.5:
      O   HB3   ASN   28 - HD21  ASN   28   4.04 +/- 0.04  86.614% * 97.6389% (0.90  10.0   3.51  94.71) =  99.791%  kept
          HG2   GLN   30 - HD21  ASN   28   9.20 +/- 0.61   7.708% *  2.2412% (1.00   1.0   0.41  19.12) =   0.204%  kept
          QE    LYS+ 121 - HD21  ASN   28  20.80 +/- 6.71   4.386% *  0.0791% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   HIS  122 - HD21  ASN   28  22.88 +/- 5.86   1.292% *  0.0409% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.06, residual support = 14.9:
          QG2   VAL   24 - HD21  ASN   28   2.23 +/- 0.45  92.753% * 97.1981% (0.76   2.06  14.89) =  99.973%  kept
          HG    LEU   63 - HD21  ASN   28  17.49 +/- 4.99   0.993% *  1.1092% (0.90   0.02   0.23) =   0.012%
          HB2   LEU  104 - HD21  ASN   28  17.93 +/- 4.67   5.672% *  0.1908% (0.15   0.02   0.02) =   0.012%
          QG2   VAL  108 - HD21  ASN   28  16.67 +/- 4.06   0.500% *  0.3084% (0.25   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HD21  ASN   28  25.43 +/- 4.43   0.082% *  1.1936% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 47.3:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.01  98.480% * 99.7755% (1.00  10.0   5.01  47.32) =  99.999%  kept
          HA    ALA   91 - HN    ASN   28  22.48 +/- 4.29   0.607% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  21.43 +/- 2.42   0.540% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.89 +/- 3.74   0.373% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 6.46, residual support = 14.9:
          HA    VAL   24 - HN    ASN   28   3.72 +/- 0.43  95.332% * 99.5231% (0.92   6.46  14.89) =  99.992%  kept
          HD2   PRO   68 - HN    ASN   28  19.01 +/- 3.89   1.699% *  0.2024% (0.61   0.02   0.02) =   0.004%
          HA    LYS+  38 - HN    ASN   28  15.26 +/- 1.30   1.593% *  0.1372% (0.41   0.02   0.02) =   0.002%
          HA    ALA   61 - HN    ASN   28  16.87 +/- 3.02   1.376% *  0.1372% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.29, residual support = 47.3:
          HB2   TRP   27 - HN    ASN   28   3.14 +/- 0.22  98.345% * 99.2337% (0.80   5.29  47.32) =  99.993%  kept
          HA    THR   77 - HN    ASN   28  15.99 +/- 3.73   1.125% *  0.3912% (0.84   0.02   0.02) =   0.005%
          HD2   PRO   93 - HN    ASN   28  22.12 +/- 3.33   0.531% *  0.3750% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.49 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 = 6.3, residual support = 94.7:
      O   HB2   ASN   28 - HN    ASN   28   2.43 +/- 0.09  95.882% * 99.6076% (0.97  10.0   6.30  94.71) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   28   9.80 +/- 0.90   1.708% *  0.0926% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   28  16.55 +/- 6.71   0.994% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASN   28  16.83 +/- 2.87   0.451% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  13.53 +/- 1.19   0.623% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  17.82 +/- 3.51   0.342% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.899, support = 5.94, residual support = 93.3:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.01  80.248% * 91.5677% (0.90  10.0   6.02  94.71) =  98.092%  kept
          HG2   GLN   30 - HN    ASN   28   6.25 +/- 0.69  17.161% *  8.3199% (1.00   1.0   1.63  19.12) =   1.906%  kept
          QE    LYS+ 121 - HN    ASN   28  21.23 +/- 6.17   1.616% *  0.0741% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    ASN   28  22.97 +/- 5.61   0.975% *  0.0383% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.55, support = 2.42, residual support = 17.9:
          HB2   GLU-  25 - HN    ASN   28   5.68 +/- 0.14  40.108% * 53.6770% (0.90   1.04   3.81) =  50.465%  kept
          HG3   GLU-  29 - HN    ASN   28   5.31 +/- 0.35  48.370% * 43.5220% (0.20   3.83  32.38) =  49.346%  kept
          QG    GLN   17 - HN    ASN   28  14.01 +/- 2.54   3.956% *  0.9184% (0.80   0.02   0.02) =   0.085%
          HB    VAL   70 - HN    ASN   28  16.05 +/- 2.30   2.518% *  0.8329% (0.73   0.02   0.02) =   0.049%
          HB2   MET   96 - HN    ASN   28  14.87 +/- 3.51   3.458% *  0.3540% (0.31   0.02   0.02) =   0.029%
          HB2   LYS+  38 - HN    ASN   28  17.35 +/- 1.46   1.589% *  0.6957% (0.61   0.02   0.02) =   0.026%
    Distance limit 4.70 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.481, support = 3.51, residual support = 14.9:
          QG2   VAL   24 - HN    ASN   28   3.57 +/- 0.25  71.195% * 56.6786% (0.45   3.87  14.89) =  79.400%  kept
          QG1   VAL   24 - HN    ASN   28   5.12 +/- 0.35  24.784% * 42.1979% (0.61   2.13  14.89) =  20.579%  kept
          HG    LEU   63 - HN    ASN   28  17.13 +/- 4.65   3.130% *  0.2018% (0.31   0.02   0.23) =   0.012%
          QG1   VAL  107 - HN    ASN   28  17.91 +/- 1.97   0.625% *  0.6035% (0.92   0.02   0.02) =   0.007%
          HD3   LYS+ 112 - HN    ASN   28  25.83 +/- 4.83   0.267% *  0.3182% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.65 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 = 0.379, support = 2.51, residual support = 0.919:
          QD2   LEU   80 - HN    ASN   28  11.46 +/- 7.43  25.633% * 47.0762% (0.45   2.49   1.22) =  49.876%  kept
          QD1   LEU   73 - HN    ASN   28   6.09 +/- 2.83  33.949% * 21.8990% (0.15   3.37   0.93) =  30.729%  kept
          QD1   LEU   63 - HN    ASN   28  14.25 +/- 4.74  18.872% * 12.8712% (0.15   1.98   0.23) =  10.040%  kept
          QG1   VAL   83 - HN    ASN   28  11.69 +/- 6.27  13.246% * 16.7502% (1.00   0.40   0.02) =   9.171%  kept
          QD1   LEU  104 - HN    ASN   28  15.29 +/- 3.57   5.930% *  0.5793% (0.69   0.02   0.02) =   0.142%  kept
          QG2   ILE   89 - HN    ASN   28  14.96 +/- 3.51   1.566% *  0.4774% (0.57   0.02   0.02) =   0.031%
          QD2   LEU  115 - HN    ASN   28  18.91 +/- 2.36   0.804% *  0.3467% (0.41   0.02   0.02) =   0.012%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.05, residual support = 27.0:
          HA    VAL   24 - HN    TRP   27   3.12 +/- 0.19  95.066% * 99.0299% (0.99   3.05  27.00) =  99.992%  kept
          HA    LYS+  38 - HN    TRP   27  16.27 +/- 1.34   0.769% *  0.4754% (0.73   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    TRP   27  18.46 +/- 3.32   0.825% *  0.2021% (0.31   0.02   0.02) =   0.002%
          HA    ALA   61 - HN    TRP   27  15.79 +/- 3.25   1.166% *  0.1147% (0.18   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    ALA   91  19.07 +/- 4.28   0.661% *  0.0802% (0.12   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ALA   91  22.14 +/- 4.24   0.665% *  0.0250% (0.04   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  17.91 +/- 2.66   0.698% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.20 +/- 1.46   0.151% *  0.0587% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.36, residual support = 100.7:
      O   HB2   TRP   27 - HN    TRP   27   2.04 +/- 0.07  92.214% * 99.8160% (0.99  10.0   5.36 100.69) =  99.999%  kept
          HD2   PRO   93 - HN    ALA   91   6.33 +/- 1.34   5.711% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    THR   77 - HN    TRP   27  15.13 +/- 3.64   0.329% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.41 +/- 3.08   0.123% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   9.85 +/- 3.01   1.477% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  19.37 +/- 3.76   0.146% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 100.7:
      O   HB3   TRP   27 - HN    TRP   27   3.13 +/- 0.16  89.483% * 99.6559% (0.99  10.0   5.64 100.69) =  99.996%  kept
          HB2   PHE   97 - HN    TRP   27  18.29 +/- 2.76   0.857% *  0.0986% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    TRP   27  17.80 +/- 4.66   1.782% *  0.0413% (0.41   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    TRP   27  16.86 +/- 2.82   1.171% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    TRP   27  18.90 +/- 2.74   0.532% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  17.65 +/- 1.88   0.640% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.26 +/- 4.26   0.972% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  12.53 +/- 2.02   1.726% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.57 +/- 1.76   0.672% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  19.04 +/- 3.48   0.533% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  17.18 +/- 2.79   0.689% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  21.51 +/- 1.65   0.295% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  19.49 +/- 2.99   0.477% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  26.19 +/- 1.96   0.171% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.702, residual support = 1.38:
          HB3   CYS   21 - HN    TRP   27   5.07 +/- 2.19  76.498% * 96.1269% (0.53   0.70   1.39) =  99.648%  kept
          HG2   MET   96 - HN    TRP   27  16.45 +/- 3.55   6.180% *  3.1470% (0.61   0.02   0.02) =   0.264%  kept
          HG2   MET   96 - HN    ALA   91  12.77 +/- 2.09  13.753% *  0.3888% (0.07   0.02   0.02) =   0.072%
          HB3   CYS   21 - HN    ALA   91  19.38 +/- 2.71   3.569% *  0.3373% (0.07   0.02   0.02) =   0.016%
    Distance limit 4.36 A violated in 6 structures by 1.25 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   3.36 +/- 0.22  79.800% * 94.9902% (0.98   4.45  22.68) =  99.847%  kept
          HB2   LYS+  74 - HN    TRP   27  10.85 +/- 1.85   3.208% *  3.0130% (0.80   0.17   0.02) =   0.127%  kept
          HG2   LYS+  65 - HN    TRP   27  16.21 +/- 2.75   1.260% *  0.4343% (1.00   0.02   0.02) =   0.007%
          QD    LYS+  66 - HN    TRP   27  17.66 +/- 3.33   1.374% *  0.3327% (0.76   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HN    TRP   27  23.14 +/- 5.61   0.621% *  0.4343% (1.00   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HN    ALA   91  19.44 +/- 5.64   2.972% *  0.0537% (0.12   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    TRP   27  12.92 +/- 1.87   1.718% *  0.0762% (0.18   0.02   0.02) =   0.002%
          HG    LEU  104 - HN    TRP   27  19.31 +/- 3.21   0.628% *  0.1210% (0.28   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    TRP   27  17.00 +/- 2.38   0.767% *  0.0861% (0.20   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HN    TRP   27  23.94 +/- 5.55   0.511% *  0.1210% (0.28   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    ALA   91  19.51 +/- 4.40   0.819% *  0.0411% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  16.85 +/- 1.87   0.694% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.28 +/- 2.64   2.531% *  0.0106% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  19.78 +/- 2.85   0.471% *  0.0527% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  21.25 +/- 3.41   0.435% *  0.0537% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.33 +/- 3.77   0.250% *  0.0861% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  16.78 +/- 2.81   0.794% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  21.02 +/- 3.09   0.445% *  0.0150% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  20.30 +/- 2.06   0.423% *  0.0150% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.63 +/- 1.38   0.277% *  0.0106% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.93, support = 2.83, residual support = 14.5:
          QD1   LEU   73 - HN    TRP   27   5.41 +/- 2.79  30.704% * 43.8864% (1.00   3.27  22.62) =  55.960%  kept
          QD2   LEU   80 - HN    TRP   27  10.67 +/- 7.42  24.594% * 26.4289% (0.76   2.57   5.12) =  26.994%  kept
          QD1   LEU   63 - HN    TRP   27  13.56 +/- 4.69  15.073% * 25.6804% (1.00   1.91   2.78) =  16.076%  kept
          QD2   LEU   63 - HN    TRP   27  13.45 +/- 3.83   7.021% *  2.5117% (0.61   0.31   2.78) =   0.732%  kept
          QG1   VAL   83 - HN    TRP   27  11.81 +/- 5.79   5.415% *  0.9334% (0.15   0.45   0.18) =   0.210%  kept
          QD1   LEU  104 - HN    TRP   27  16.02 +/- 3.36   1.305% *  0.1416% (0.53   0.02   0.02) =   0.008%
          QG2   VAL   41 - HN    TRP   27  10.23 +/- 3.28   4.546% *  0.0364% (0.14   0.02   0.13) =   0.007%
          QD2   LEU  115 - HN    TRP   27  18.35 +/- 2.85   0.528% *  0.2155% (0.80   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    ALA   91  11.82 +/- 1.75   2.870% *  0.0254% (0.09   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   91  12.95 +/- 2.95   1.809% *  0.0266% (0.10   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    ALA   91  14.55 +/- 2.17   1.060% *  0.0332% (0.12   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   91  15.20 +/- 2.84   0.958% *  0.0332% (0.12   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  15.25 +/- 2.68   0.913% *  0.0202% (0.07   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.49 +/- 0.92   2.142% *  0.0051% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.23 +/- 1.95   0.487% *  0.0175% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.19 +/- 1.83   0.575% *  0.0045% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.903, support = 0.02, residual support = 0.751:
          QG2   VAL   75 - HN    TRP   27   9.32 +/- 2.49  40.708% * 43.3149% (0.95   0.02   1.07) =  60.556%  kept
          QG2   VAL   42 - HN    TRP   27  12.55 +/- 1.94  20.530% * 45.6877% (1.00   0.02   0.32) =  32.212%  kept
          QG2   VAL   75 - HN    ALA   91  10.63 +/- 1.65  28.056% *  5.3521% (0.12   0.02   0.02) =   5.157%  kept
          QG2   VAL   42 - HN    ALA   91  14.09 +/- 0.78  10.706% *  5.6453% (0.12   0.02   0.02) =   2.076%  kept
    Distance limit 4.55 A violated in 20 structures by 3.22 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.849, support = 1.53, residual support = 14.1:
          QD1   LEU   73 - HE1   TRP   27   6.39 +/- 2.80  25.500% * 37.9743% (0.87   1.88  22.62) =  55.524%  kept
          QD2   LEU   80 - HE1   TRP   27  10.30 +/- 6.93  11.584% * 31.9431% (0.99   1.38   5.12) =  21.217%  kept
          QD1   LEU   63 - HE1   TRP   27  13.25 +/- 4.74  10.615% * 22.4002% (0.87   1.11   2.78) =  13.633%  kept
          QG1   VAL   83 - HE1   TRP   27   9.00 +/- 6.84  28.077% *  4.8962% (0.41   0.51   0.18) =   7.882%  kept
          QD2   LEU   63 - HE1   TRP   27  12.95 +/- 4.39  13.604% *  1.9171% (0.28   0.30   2.78) =   1.495%  kept
          QD1   LEU  104 - HE1   TRP   27  13.65 +/- 4.24  10.124% *  0.4042% (0.87   0.02   0.02) =   0.235%  kept
          QD2   LEU  115 - HE1   TRP   27  17.02 +/- 2.00   0.496% *  0.4649% (1.00   0.02   0.02) =   0.013%
    Distance limit 4.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.519, support = 1.67, residual support = 17.8:
          QD2   LEU   31 - HE1   TRP   27   3.90 +/- 0.76  66.903% * 52.6809% (0.31   2.15  24.08) =  69.235%  kept
          QG2   VAL   43 - HE1   TRP   27   7.48 +/- 4.02  33.097% * 47.3191% (0.99   0.60   3.58) =  30.765%  kept
    Distance limit 3.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.76, residual support = 31.9:
          HB2   GLU-  25 - HN    THR   26   2.79 +/- 0.27  85.036% * 98.9885% (0.90   5.76  31.94) =  99.982%  kept
          HG3   GLU-  29 - HN    THR   26   5.51 +/- 0.47  12.613% *  0.0758% (0.20   0.02   0.75) =   0.011%
          QG    GLN   17 - HN    THR   26  14.20 +/- 2.66   1.104% *  0.3068% (0.80   0.02   0.02) =   0.004%
          HB    VAL   70 - HN    THR   26  17.83 +/- 2.12   0.429% *  0.2782% (0.73   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  17.16 +/- 3.14   0.552% *  0.1183% (0.31   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    THR   26  19.99 +/- 1.37   0.265% *  0.2324% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.565, support = 5.22, residual support = 31.9:
          HB3   GLU-  25 - HN    THR   26   3.48 +/- 0.26  67.970% * 95.4721% (0.57   5.23  31.94) =  99.822%  kept
          HG3   GLN   30 - HN    THR   26   7.36 +/- 0.86   8.669% *  0.5391% (0.84   0.02   4.87) =   0.072%
          HB2   GLN   30 - HN    THR   26   7.45 +/- 1.06   8.318% *  0.3396% (0.53   0.02   4.87) =   0.043%
          HB2   GLN   17 - HN    THR   26  15.55 +/- 3.06   2.219% *  0.4933% (0.76   0.02   0.02) =   0.017%
          HB    ILE   19 - HN    THR   26   9.94 +/- 1.39   5.297% *  0.1277% (0.20   0.02   0.02) =   0.010%
          QB    GLU-  15 - HN    THR   26  14.99 +/- 2.08   1.146% *  0.4933% (0.76   0.02   0.02) =   0.009%
          HB3   GLU- 100 - HN    THR   26  20.59 +/- 4.59   1.211% *  0.3915% (0.61   0.02   0.02) =   0.007%
          QB    GLU- 114 - HN    THR   26  24.27 +/- 4.39   2.594% *  0.1609% (0.25   0.02   0.02) =   0.006%
          HB3   PRO   68 - HN    THR   26  21.95 +/- 3.82   0.430% *  0.6440% (1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    THR   26  24.92 +/- 4.53   0.554% *  0.3396% (0.53   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    THR   26  27.64 +/- 4.46   0.311% *  0.5391% (0.84   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    THR   26  25.66 +/- 5.30   0.497% *  0.1609% (0.25   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  23.40 +/- 3.15   0.283% *  0.1992% (0.31   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  21.80 +/- 3.77   0.502% *  0.0996% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.03 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   3.62 +/- 0.05  90.172% * 98.0816% (0.95   4.45  34.80) =  99.965%  kept
          HB2   LYS+  74 - HN    THR   26  12.52 +/- 2.00   2.781% *  0.4617% (0.99   0.02   0.02) =   0.015%
          HG2   LYS+  65 - HN    THR   26  17.77 +/- 3.18   1.857% *  0.4177% (0.90   0.02   0.02) =   0.009%
          QD    LYS+  66 - HN    THR   26  19.12 +/- 3.77   1.998% *  0.2088% (0.45   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HN    THR   26  24.96 +/- 5.73   0.684% *  0.3891% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  19.20 +/- 2.40   0.752% *  0.2088% (0.45   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  23.09 +/- 4.48   1.152% *  0.1161% (0.25   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    THR   26  24.31 +/- 4.18   0.604% *  0.1161% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.665, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.95 +/- 0.21  27.185% * 11.0578% (0.69   0.02   0.02) =  31.422%  kept
          HB3   LEU   80 - HN    THR   26  15.36 +/- 7.00  20.612% *  8.4695% (0.53   0.02   0.02) =  18.248%  kept
          HG2   LYS+  99 - HN    THR   26  20.45 +/- 4.05   8.251% * 15.5357% (0.97   0.02   0.02) =  13.400%  kept
          HB2   LEU   63 - HN    THR   26  18.49 +/- 4.60  12.228% *  6.6181% (0.41   0.02   0.02) =   8.459%  kept
          QG2   THR   77 - HN    THR   26  15.00 +/- 2.32   9.498% *  7.8357% (0.49   0.02   0.02) =   7.779%  kept
          QB    ALA   88 - HN    THR   26  19.56 +/- 3.40   4.344% * 13.9639% (0.87   0.02   0.02) =   6.340%  kept
          HG2   LYS+  38 - HN    THR   26  19.89 +/- 0.98   3.528% * 16.0623% (1.00   0.02   0.02) =   5.924%  kept
          HB3   ASP-  44 - HN    THR   26  16.43 +/- 2.43   8.669% *  4.9686% (0.31   0.02   0.02) =   4.502%  kept
          HG2   LYS+ 111 - HN    THR   26  27.72 +/- 4.47   2.133% * 12.3026% (0.76   0.02   0.02) =   2.743%  kept
          QB    ALA  124 - HN    THR   26  25.20 +/- 5.35   3.552% *  3.1858% (0.20   0.02   0.02) =   1.183%  kept
    Distance limit 4.61 A violated in 20 structures by 4.06 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 33.9:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.02  97.377% * 99.8455% (0.92  10.0   5.65  33.88) =  99.999%  kept
          HD2   PRO   68 - HN    GLU-  25  21.65 +/- 3.95   0.928% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    GLU-  25  18.56 +/- 3.72   1.078% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.79 +/- 1.32   0.617% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 6.13, residual support = 127.4:
      O   HB2   GLU-  25 - HN    GLU-  25   2.95 +/- 0.31  88.397% * 99.5608% (0.61  10.0   6.13 127.46) =  99.992%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.21 +/- 0.55   6.510% *  0.0736% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    GLU-  25   9.13 +/- 0.53   3.277% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  16.09 +/- 2.49   0.760% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.81 +/- 1.45   0.240% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  19.11 +/- 2.38   0.401% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  22.03 +/- 5.06   0.415% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.85, residual support = 127.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.44 +/- 0.64  87.012% * 98.7761% (0.57  10.0   5.85 127.46) =  99.987%  kept
          HG3   GLN   30 - HN    GLU-  25   9.69 +/- 0.77   2.297% *  0.1457% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    GLU-  25   9.47 +/- 1.01   2.384% *  0.0918% (0.53   1.0   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLU-  25  24.00 +/- 4.44   2.334% *  0.0435% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    GLU-  25  17.70 +/- 2.87   0.759% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLU-  25  23.27 +/- 4.27   0.405% *  0.1741% (1.00   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  25.10 +/- 4.78   0.705% *  0.0918% (0.53   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLU-  25  17.08 +/- 1.97   0.484% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  12.03 +/- 1.44   1.791% *  0.0345% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLU-  25  21.46 +/- 5.48   0.550% *  0.1058% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLU-  25  27.28 +/- 4.41   0.230% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.67 +/- 5.50   0.390% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  23.09 +/- 4.23   0.470% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  23.02 +/- 3.66   0.190% *  0.0538% (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 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.33, residual support = 6.38:
          QG2   THR   23 - HN    GLU-  25   4.00 +/- 0.87  90.479% * 98.6423% (0.73   3.33   6.38) =  99.961%  kept
          QG2   THR   77 - HN    GLU-  25  14.55 +/- 2.50   2.658% *  0.5921% (0.73   0.02   0.02) =   0.018%
          QB    ALA   34 - HN    GLU-  25  12.20 +/- 0.49   3.955% *  0.3060% (0.38   0.02   0.02) =   0.014%
          QB    ALA   88 - HN    GLU-  25  18.58 +/- 3.91   1.331% *  0.2781% (0.34   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    GLU-  25  19.96 +/- 3.28   1.578% *  0.1815% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.52, residual support = 33.9:
          QG2   VAL   24 - HN    GLU-  25   3.36 +/- 0.30  96.256% * 99.2311% (0.97   4.52  33.88) =  99.987%  kept
          HG    LEU   63 - HN    GLU-  25  19.20 +/- 4.94   2.637% *  0.3944% (0.87   0.02   0.02) =   0.011%
          QG1   VAL  107 - HN    GLU-  25  19.46 +/- 2.47   0.633% *  0.1707% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    GLU-  25  26.92 +/- 6.01   0.474% *  0.2039% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.26, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.68 +/- 0.77  96.694% * 99.4301% (0.97   5.26 127.46) =  99.995%  kept
          HB3   TRP   87 - HN    GLU-  25  18.68 +/- 4.38   1.608% *  0.1208% (0.31   0.02   0.02) =   0.002%
          HB3   PHE   95 - HN    GLU-  25  20.08 +/- 2.51   0.955% *  0.1905% (0.49   0.02   0.02) =   0.002%
          HG2   GLN  116 - HN    GLU-  25  26.52 +/- 4.81   0.360% *  0.1609% (0.41   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  25  26.74 +/- 5.13   0.383% *  0.0976% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 64.9:
      O   HA    VAL   24 - HN    VAL   24   2.75 +/- 0.06  98.401% * 99.8455% (0.92  10.0   4.34  64.94) =  99.999%  kept
          HA    ALA   61 - HN    VAL   24  16.84 +/- 3.91   0.828% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  20.47 +/- 3.98   0.509% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.18 +/- 1.44   0.262% *  0.0445% (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 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 64.9:
      O   HB    VAL   24 - HN    VAL   24   2.50 +/- 0.21  91.018% * 99.7135% (0.95  10.0   4.68  64.94) =  99.997%  kept
          HB3   GLU-  79 - HN    VAL   24  11.40 +/- 6.66   7.477% *  0.0163% (0.15   1.0   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    VAL   24  12.28 +/- 0.49   0.814% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  22.37 +/- 4.66   0.471% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  22.53 +/- 4.14   0.220% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.8:
          QG2   THR   23 - HN    VAL   24   3.92 +/- 0.56  89.663% * 99.1625% (0.73   5.43  25.76) =  99.973%  kept
          QG2   THR   77 - HN    VAL   24  12.59 +/- 2.39   3.618% *  0.3652% (0.73   0.02   0.02) =   0.015%
          QB    ALA   34 - HN    VAL   24  12.46 +/- 0.68   3.243% *  0.1888% (0.38   0.02   0.02) =   0.007%
          QG2   ILE   56 - HN    VAL   24  18.32 +/- 3.48   2.119% *  0.1120% (0.22   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    VAL   24  17.27 +/- 3.55   1.357% *  0.1716% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.851, support = 4.16, residual support = 64.9:
          QG1   VAL   24 - HN    VAL   24   2.08 +/- 0.36  79.108% * 77.1656% (0.90   4.09  64.94) =  93.375%  kept
          QG2   VAL   24 - HN    VAL   24   3.66 +/- 0.10  19.763% * 21.9024% (0.20   5.25  64.94) =   6.621%  kept
          QG1   VAL  107 - HN    VAL   24  18.19 +/- 2.56   0.213% *  0.4175% (0.99   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL   24  24.71 +/- 6.31   0.226% *  0.3373% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.71 +/- 0.53   0.416% *  0.0938% (0.22   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    VAL   24  21.99 +/- 5.07   0.273% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.86, support = 1.77, residual support = 2.55:
          QD2   LEU   80 - HN    VAL   24   9.29 +/- 6.96  33.067% * 29.0204% (0.76   2.08   4.37) =  41.856%  kept
          QD1   LEU   73 - HN    VAL   24   7.38 +/- 2.57  26.836% * 31.2775% (1.00   1.72   1.51) =  36.611%  kept
          QD1   LEU   63 - HN    VAL   24  14.61 +/- 4.96  12.574% * 22.1421% (1.00   1.22   0.80) =  12.144%  kept
          QD2   LEU   63 - HN    VAL   24  14.45 +/- 4.53  13.216% * 15.1463% (0.61   1.37   0.80) =   8.731%  kept
          QG1   VAL   83 - HN    VAL   24  10.71 +/- 5.27   7.513% *  1.8805% (0.15   0.67   0.13) =   0.616%  kept
          QD2   LEU  115 - HN    VAL   24  18.31 +/- 3.70   1.508% *  0.2920% (0.80   0.02   0.02) =   0.019%
          QD1   LEU  104 - HN    VAL   24  17.78 +/- 4.03   1.870% *  0.1919% (0.53   0.02   0.02) =   0.016%
          QG2   VAL   41 - HN    VAL   24  12.77 +/- 2.98   3.417% *  0.0494% (0.14   0.02   0.02) =   0.007%
    Distance limit 3.83 A violated in 4 structures by 0.45 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.989, support = 4.96, residual support = 21.3:
          HB2   HIS   22 - HN    THR   23   4.42 +/- 0.22  90.067% * 87.1718% (0.99   5.02  21.52) =  98.725%  kept
          HA    LEU   63 - HN    THR   23  16.26 +/- 3.75   7.929% * 12.7808% (0.84   0.87   0.17) =   1.274%  kept
          HA2   GLY  101 - HN    THR   23  22.20 +/- 4.48   2.004% *  0.0474% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.63, residual support = 21.5:
          HB3   HIS   22 - HN    THR   23   4.25 +/- 0.30  95.504% * 99.7175% (0.76   5.63  21.52) =  99.993%  kept
          HD3   ARG+  54 - HN    THR   23  23.34 +/- 6.74   3.031% *  0.1907% (0.41   0.02   0.02) =   0.006%
          HB2   PHE   95 - HN    THR   23  18.50 +/- 2.36   1.465% *  0.0918% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.1, residual support = 3.53:
          HB3   CYS   21 - HN    THR   23   4.49 +/- 1.04 100.000% *100.0000% (1.00   2.10   3.53) = 100.000%  kept
    Distance limit 4.54 A violated in 1 structures by 0.43 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 1.95, residual support = 12.9:
          QG2   THR   26 - HN    THR   23   4.58 +/- 0.21  70.927% * 88.6008% (0.73   1.98  13.11) =  98.144%  kept
          HB2   LYS+  74 - HN    THR   23   9.05 +/- 2.43  14.582% *  7.5442% (0.95   0.13   0.02) =   1.718%  kept
          HG2   LYS+  65 - HN    THR   23  14.89 +/- 2.40   3.051% *  0.7954% (0.65   0.02   0.02) =   0.038%
          HG    LEU  115 - HN    THR   23  21.48 +/- 4.68   2.931% *  0.5985% (0.49   0.02   0.02) =   0.027%
          QB    ALA  120 - HN    THR   23  21.37 +/- 4.51   2.537% *  0.5985% (0.49   0.02   0.02) =   0.024%
          HD2   LYS+ 121 - HN    THR   23  23.07 +/- 5.30   1.686% *  0.6961% (0.57   0.02   0.02) =   0.018%
          HB3   LEU   40 - HN    THR   23  18.75 +/- 2.28   1.305% *  0.8928% (0.73   0.02   0.02) =   0.018%
          QD    LYS+  66 - HN    THR   23  16.78 +/- 2.90   2.980% *  0.2737% (0.22   0.02   0.02) =   0.013%
    Distance limit 4.45 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.87, residual support = 19.2:
          QG2   THR   23 - HN    THR   23   3.14 +/- 0.57  93.199% * 97.7557% (0.41   4.87  19.24) =  99.963%  kept
          QG2   THR   77 - HN    THR   23  12.32 +/- 2.25   2.376% *  0.9427% (0.97   0.02   0.02) =   0.025%
          QB    ALA   88 - HN    THR   23  18.24 +/- 2.56   0.714% *  0.6319% (0.65   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    THR   23  11.64 +/- 0.70   2.484% *  0.1507% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HN    THR   23  20.93 +/- 3.27   0.831% *  0.2175% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    THR   23  21.01 +/- 1.20   0.396% *  0.3015% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 0.496, support = 1.11, residual support = 0.45:
          QD1   LEU   73 - HN    THR   23   6.13 +/- 2.40  27.652% * 17.5666% (0.53   0.69   0.21) =  28.044%  kept
          QD2   LEU   80 - HN    THR   23   9.77 +/- 6.70  22.794% * 20.2507% (0.20   2.13   0.91) =  26.649%  kept
          QD1   LEU   63 - HN    THR   23  13.20 +/- 4.35  13.575% * 27.4111% (0.53   1.08   0.17) =  21.482%  kept
          QD2   LEU   63 - HN    THR   23  13.12 +/- 3.66   9.927% * 24.0370% (1.00   0.50   0.17) =  13.775%  kept
          QD1   LEU   80 - HN    THR   23  10.80 +/- 7.11  17.988% *  9.4670% (0.45   0.44   0.91) =   9.832%  kept
          QG2   VAL   41 - HN    THR   23  11.86 +/- 2.97   3.449% *  0.6222% (0.65   0.02   0.02) =   0.124%  kept
          QD2   LEU   98 - HN    THR   23  13.59 +/- 3.16   3.012% *  0.4312% (0.45   0.02   0.02) =   0.075%
          QD2   LEU  115 - HN    THR   23  17.43 +/- 3.76   1.604% *  0.2141% (0.22   0.02   0.02) =   0.020%
    Distance limit 3.91 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 35.1:
      O   HB3   HIS   22 - HN    HIS   22   3.02 +/- 0.52  98.124% * 99.9260% (0.98  10.0   3.46  35.14) =  99.999%  kept
          HD3   ARG+  54 - HN    HIS   22  23.30 +/- 6.84   1.876% *  0.0740% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.264, support = 6.65, residual support = 168.8:
          HG3   ARG+  54 - HN    ARG+  54   3.60 +/- 0.70  54.017% * 95.1177% (0.26   6.68 169.52) =  99.545%  kept
          QB    ALA   57 - HN    ARG+  54   6.11 +/- 1.38  21.834% *  0.7824% (0.72   0.02   0.02) =   0.331%  kept
          HB3   LEU  123 - HN    ARG+  54  18.03 +/- 5.10   2.430% *  1.0034% (0.93   0.02   0.02) =   0.047%
          QB    ALA   57 - HN    ASP-  62   6.99 +/- 0.93  10.630% *  0.1464% (0.14   0.02   0.02) =   0.030%
          HD3   LYS+ 111 - HN    ARG+  54  16.51 +/- 3.26   0.940% *  0.8197% (0.76   0.02   0.02) =   0.015%
          HD2   LYS+  74 - HN    ARG+  54  16.05 +/- 3.28   1.089% *  0.4590% (0.42   0.02   0.02) =   0.010%
          HD2   LYS+  74 - HN    ASP-  62  10.00 +/- 2.56   5.334% *  0.0859% (0.08   0.02   0.02) =   0.009%
          QD    LYS+  33 - HN    ARG+  54  24.60 +/- 2.44   0.232% *  1.0034% (0.93   0.02   0.02) =   0.005%
          HB3   LEU  123 - HN    ASP-  62  15.12 +/- 1.93   0.954% *  0.1878% (0.17   0.02   0.02) =   0.003%
          QD    LYS+  33 - HN    ASP-  62  17.56 +/- 1.78   0.596% *  0.1878% (0.17   0.02   0.02) =   0.002%
          HG3   ARG+  54 - HN    ASP-  62  13.29 +/- 1.81   1.443% *  0.0533% (0.05   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ASP-  62  18.51 +/- 1.81   0.501% *  0.1534% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.41, residual support = 30.0:
      O   HB2   CYS   21 - HN    CYS   21   3.06 +/- 0.46  93.665% * 99.8975% (0.90  10.0   3.41  29.96) =  99.999%  kept
          HB2   CYS   21 - HN    ILE  119  21.21 +/- 5.75   1.587% *  0.0316% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   PHE   45 - HN    CYS   21  13.66 +/- 2.59   1.501% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.63 +/- 1.14   1.797% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.01 +/- 4.50   0.412% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.04 +/- 2.09   1.038% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.42, residual support = 30.0:
      O   HB3   CYS   21 - HN    CYS   21   3.10 +/- 0.53  93.417% * 99.8170% (0.53  10.0   3.42  29.96) =  99.996%  kept
          HG2   MET   96 - HN    CYS   21  15.70 +/- 2.99   1.517% *  0.1151% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   CYS   21 - HN    ILE  119  20.88 +/- 5.58   3.597% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  15.23 +/- 4.33   1.469% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 0.574, support = 0.02, residual support = 0.224:
          HG    LEU  123 - HN    ILE  119   6.42 +/- 0.82  23.399% *  3.5886% (0.32   0.02   1.00) =  20.912%  kept
          HB    VAL   41 - HN    CYS   21  11.71 +/- 3.50   8.229% *  9.1141% (0.80   0.02   0.02) =  18.679%  kept
          HG    LEU  123 - HN    CYS   21  22.26 +/- 6.33   6.081% * 11.3569% (1.00   0.02   0.02) =  17.199%  kept
          HG12  ILE  103 - HN    CYS   21  17.03 +/- 3.31   2.515% * 10.5070% (0.92   0.02   0.02) =   6.580%  kept
          QB    LYS+  66 - HN    CYS   21  13.24 +/- 1.78   2.946% *  6.9036% (0.61   0.02   0.02) =   5.066%  kept
          QB    LYS+  33 - HN    CYS   21  10.94 +/- 1.57   5.739% *  2.5341% (0.22   0.02   0.02) =   3.622%  kept
          HB3   ASP- 105 - HN    ILE  119  11.71 +/- 6.29  12.878% *  1.1101% (0.10   0.02   0.02) =   3.560%  kept
          HB3   PRO   52 - HN    ILE  119  13.76 +/- 2.80   3.633% *  3.5886% (0.32   0.02   0.02) =   3.247%  kept
          HB3   PRO   52 - HN    CYS   21  21.02 +/- 3.60   0.997% * 11.3569% (1.00   0.02   0.02) =   2.821%  kept
          QB    LYS+  66 - HN    ILE  119  13.86 +/- 3.37   5.075% *  2.1815% (0.19   0.02   0.02) =   2.757%  kept
          HG2   ARG+  54 - HN    CYS   21  20.62 +/- 5.06   1.905% *  3.8825% (0.34   0.02   0.02) =   1.842%  kept
          HG2   PRO   93 - HN    ILE  119  12.60 +/- 2.72   5.713% *  1.2268% (0.11   0.02   0.02) =   1.745%  kept
          HG3   PRO   68 - HN    CYS   21  17.26 +/- 2.82   1.464% *  4.6793% (0.41   0.02   0.02) =   1.706%  kept
          HB    ILE  103 - HN    CYS   21  19.22 +/- 3.41   1.525% *  4.2718% (0.38   0.02   0.02) =   1.623%  kept
          HG12  ILE  103 - HN    ILE  119  17.56 +/- 5.08   1.767% *  3.3201% (0.29   0.02   0.02) =   1.461%  kept
          HG2   PRO   93 - HN    CYS   21  18.67 +/- 2.73   1.369% *  3.8825% (0.34   0.02   0.02) =   1.323%  kept
          HG2   ARG+  54 - HN    ILE  119  15.09 +/- 2.61   3.293% *  1.2268% (0.11   0.02   0.02) =   1.006%  kept
          HG3   PRO   68 - HN    ILE  119  18.28 +/- 4.47   2.602% *  1.4786% (0.13   0.02   0.02) =   0.958%  kept
          HB    VAL   41 - HN    ILE  119  18.60 +/- 4.05   1.256% *  2.8799% (0.25   0.02   0.02) =   0.901%  kept
          HB3   ASP- 105 - HN    CYS   21  19.39 +/- 2.96   0.933% *  3.5131% (0.31   0.02   0.02) =   0.816%  kept
          QB    LYS+ 102 - HN    CYS   21  19.30 +/- 3.17   1.418% *  1.9934% (0.18   0.02   0.02) =   0.704%  kept
          HB    ILE  103 - HN    ILE  119  18.13 +/- 5.33   1.529% *  1.3499% (0.12   0.02   0.02) =   0.514%  kept
          HB3   GLN   90 - HN    CYS   21  20.35 +/- 3.72   1.007% *  1.9934% (0.18   0.02   0.02) =   0.500%  kept
          QB    LYS+ 102 - HN    ILE  119  19.28 +/- 5.05   1.220% *  0.6299% (0.06   0.02   0.02) =   0.191%  kept
          HB3   GLN   90 - HN    ILE  119  20.33 +/- 2.83   0.846% *  0.6299% (0.06   0.02   0.02) =   0.133%  kept
          QB    LYS+  33 - HN    ILE  119  22.88 +/- 3.82   0.661% *  0.8007% (0.07   0.02   0.02) =   0.132%  kept
    Distance limit 3.64 A violated in 16 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.547, support = 6.02, residual support = 145.8:
          HG13  ILE  119 - HN    ILE  119   3.14 +/- 0.67  43.969% * 42.9434% (0.31   8.03 268.29) =  51.369%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.18  32.935% * 54.0680% (0.80   3.91  16.41) =  48.445%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.83 +/- 0.42   3.261% *  1.5536% (0.13   0.69   8.54) =   0.138%  kept
          HG13  ILE  119 - HN    CYS   21  18.63 +/- 4.84   1.674% *  0.3386% (0.98   0.02   0.02) =   0.015%
          QG1   VAL   24 - HN    CYS   21   8.16 +/- 0.85   3.130% *  0.1066% (0.31   0.02   0.02) =   0.009%
          HB3   LEU   31 - HN    CYS   21  12.26 +/- 1.03   0.893% *  0.3333% (0.97   0.02   0.02) =   0.008%
          QG2   VAL  107 - HN    ILE  119   7.41 +/- 3.26   8.407% *  0.0243% (0.07   0.02   0.02) =   0.006%
          HD3   LYS+ 112 - HN    ILE  119   9.41 +/- 1.99   2.830% *  0.0449% (0.13   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HN    CYS   21  21.84 +/- 6.21   0.396% *  0.1420% (0.41   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    CYS   21  22.56 +/- 5.16   0.377% *  0.1420% (0.41   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    ILE  119  17.70 +/- 3.66   0.460% *  0.0874% (0.25   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    CYS   21  15.57 +/- 2.50   0.468% *  0.0769% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    ILE  119  19.60 +/- 4.36   0.996% *  0.0337% (0.10   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.81 +/- 3.81   0.203% *  0.1053% (0.30   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 0.523, support = 2.07, residual support = 7.33:
          QD2   LEU   73 - HN    CYS   21   5.17 +/- 1.82  25.068% * 71.0161% (0.57   2.33   9.00) =  80.287%  kept
          QD1   ILE   19 - HN    CYS   21   5.81 +/- 0.82  18.572% * 16.4302% (0.22   1.37   0.73) =  13.762%  kept
          QG2   VAL   18 - HN    CYS   21   6.39 +/- 1.24  15.534% *  7.2352% (0.65   0.21   0.02) =   5.069%  kept
          QG1   VAL   43 - HN    CYS   21   9.38 +/- 3.10   8.463% *  0.9340% (0.87   0.02   0.02) =   0.356%  kept
          QG1   VAL   41 - HN    CYS   21  10.67 +/- 2.68   3.030% *  1.0554% (0.98   0.02   0.02) =   0.144%  kept
          HG    LEU   31 - HN    CYS   21   9.95 +/- 1.26   3.538% *  0.7819% (0.73   0.02   0.02) =   0.125%  kept
          QG2   THR   46 - HN    CYS   21  10.54 +/- 2.29   3.422% *  0.5665% (0.53   0.02   0.02) =   0.087%
          QD1   ILE   56 - HN    ILE  119   7.01 +/- 1.24  11.027% *  0.1050% (0.10   0.02   0.02) =   0.052%
          QG1   VAL   43 - HN    ILE  119  13.28 +/- 2.50   1.639% *  0.2951% (0.27   0.02   0.02) =   0.022%
          QD1   ILE   56 - HN    CYS   21  15.59 +/- 3.41   1.411% *  0.3323% (0.31   0.02   0.02) =   0.021%
          QG2   THR   46 - HN    ILE  119  11.91 +/- 2.11   2.502% *  0.1790% (0.17   0.02   0.02) =   0.020%
          QD2   LEU   73 - HN    ILE  119  14.83 +/- 2.91   2.244% *  0.1926% (0.18   0.02   0.02) =   0.019%
          QG1   VAL   41 - HN    ILE  119  16.42 +/- 3.43   0.945% *  0.3335% (0.31   0.02   0.02) =   0.014%
          QG2   VAL   18 - HN    ILE  119  15.21 +/- 2.84   1.121% *  0.2201% (0.20   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    ILE  119  21.10 +/- 3.63   0.446% *  0.2471% (0.23   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    ILE  119  18.63 +/- 3.62   1.037% *  0.0758% (0.07   0.02   0.02) =   0.004%
    Distance limit 4.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.481, support = 4.88, residual support = 8.64:
          QD1   LEU   73 - HN    CYS   21   4.68 +/- 2.17  28.188% * 61.1361% (0.53   5.08   9.00) =  83.466%  kept
          QD2   LEU  115 - HN    ILE  119   4.07 +/- 0.62  28.741% *  8.4096% (0.07   5.22   9.47) =  11.706%  kept
          QD2   LEU   63 - HN    CYS   21  11.04 +/- 2.36   2.818% * 17.5558% (1.00   0.77   0.52) =   2.396%  kept
          QD1   LEU   63 - HN    CYS   21  11.13 +/- 3.35   3.710% *  9.9844% (0.53   0.83   0.52) =   1.794%  kept
          QD1   LEU   63 - HN    ILE  119  10.01 +/- 3.21   5.236% *  1.5424% (0.17   0.41   0.02) =   0.391%  kept
          QD1   LEU   80 - HN    CYS   21  11.05 +/- 6.71   7.765% *  0.2053% (0.45   0.02   0.02) =   0.077%
          QG2   VAL   41 - HN    CYS   21   9.85 +/- 3.20   4.766% *  0.2962% (0.65   0.02   0.02) =   0.068%
          QD2   LEU   63 - HN    ILE  119  10.14 +/- 3.25   5.701% *  0.1443% (0.32   0.02   0.02) =   0.040%
          QD2   LEU   80 - HN    CYS   21  10.26 +/- 6.16   6.499% *  0.0906% (0.20   0.02   0.02) =   0.029%
          QD2   LEU   98 - HN    CYS   21  12.34 +/- 2.57   1.394% *  0.2053% (0.45   0.02   0.02) =   0.014%
          QD1   LEU   73 - HN    ILE  119  15.71 +/- 3.64   1.780% *  0.0761% (0.17   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    CYS   21  15.67 +/- 3.54   0.899% *  0.1019% (0.22   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    ILE  119  15.72 +/- 3.78   0.977% *  0.0649% (0.14   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    ILE  119  16.12 +/- 2.89   0.514% *  0.0936% (0.20   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE  119  18.73 +/- 3.50   0.402% *  0.0649% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  18.72 +/- 3.48   0.610% *  0.0286% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.57 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 = 0.311, support = 5.5, residual support = 55.0:
          HN    THR  118 - HN    ILE  119   2.52 +/- 0.10  80.186% * 46.3135% (0.28   5.88  60.76) =  87.299%  kept
          HN    GLN  116 - HN    ILE  119   4.83 +/- 0.19  11.646% * 44.6853% (0.53   3.00  15.85) =  12.233%  kept
          HN    GLU- 114 - HN    ILE  119   8.16 +/- 0.41   2.456% *  7.3161% (0.95   0.27   0.10) =   0.422%  kept
          HN    PHE   60 - HN    ILE  119   9.01 +/- 1.00   2.075% *  0.6416% (0.14   0.17   0.02) =   0.031%
          HN    LEU   71 - HN    ILE  119  18.45 +/- 3.82   0.679% *  0.5363% (0.95   0.02   0.02) =   0.009%
          HN    LEU   71 - HN    CYS   21  13.21 +/- 1.74   0.656% *  0.1695% (0.30   0.02   0.02) =   0.003%
          HN    GLU- 114 - HN    CYS   21  23.00 +/- 4.98   0.405% *  0.1695% (0.30   0.02   0.02) =   0.002%
          HN    GLN  116 - HN    CYS   21  21.24 +/- 4.70   0.332% *  0.0943% (0.17   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  15.04 +/- 4.14   1.166% *  0.0242% (0.04   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  20.96 +/- 4.49   0.399% *  0.0498% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.621, support = 2.62, residual support = 21.9:
          HN    HIS  122 - HN    ILE  119   5.28 +/- 0.09  20.097% * 74.0812% (1.00   2.29  19.67) =  51.082%  kept
          QE    PHE   59 - HN    ILE  119   3.47 +/- 0.41  64.939% * 21.6353% (0.22   3.00  24.31) =  48.207%  kept
          HN    PHE   59 - HN    ILE  119   8.08 +/- 0.81   6.262% *  3.0671% (0.57   0.17  24.31) =   0.659%  kept
          HN    HIS  122 - HN    CYS   21  21.04 +/- 5.07   2.482% *  0.2043% (0.32   0.02   0.02) =   0.017%
          HH2   TRP   87 - HN    CYS   21  16.73 +/- 4.92   2.270% *  0.2043% (0.32   0.02   0.02) =   0.016%
          HH2   TRP   87 - HN    ILE  119  20.27 +/- 3.55   0.429% *  0.6464% (1.00   0.02   0.02) =   0.010%
          HN    PHE   59 - HN    CYS   21  16.81 +/- 4.02   1.552% *  0.1159% (0.18   0.02   0.02) =   0.006%
          QE    PHE   59 - HN    CYS   21  16.46 +/- 3.82   1.969% *  0.0456% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.39, residual support = 16.4:
          HN    ALA   20 - HN    CYS   21   4.21 +/- 0.13  98.398% * 99.8141% (0.95   3.39  16.41) =  99.997%  kept
          HN    ALA   20 - HN    ILE  119  21.27 +/- 4.12   1.602% *  0.1859% (0.30   0.02   0.02) =   0.003%
    Distance limit 4.48 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 = 52.1:
        T HN    ALA  120 - HN    ILE  119   2.62 +/- 0.13  80.702% * 94.1208% (1.00 10.00   5.82  52.36) =  99.164%  kept
          HE21  GLN  116 - HN    ILE  119   5.75 +/- 1.13  11.819% *  5.3909% (0.80  1.00   1.43  15.85) =   0.832%  kept
        T HN    ALA  120 - HN    CYS   21  21.69 +/- 4.94   0.502% *  0.2974% (0.32 10.00   0.02   0.02) =   0.002%
          HN    ALA   57 - HN    ILE  119   9.73 +/- 1.17   1.914% *  0.0683% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HN    ILE  119  10.67 +/- 0.31   1.235% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  17.49 +/- 4.49   0.834% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.84 +/- 5.71   0.496% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.29 +/- 2.24   1.275% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.62 +/- 6.11   0.663% *  0.0074% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  22.00 +/- 2.80   0.154% *  0.0186% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.94 +/- 3.66   0.163% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  21.68 +/- 4.76   0.243% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.66, residual support = 60.8:
          HB    THR  118 - HN    ILE  119   3.21 +/- 0.21  90.926% * 98.1685% (0.98   5.66  60.76) =  99.988%  kept
          HA    ILE   89 - HN    ILE  119  18.19 +/- 3.05   0.658% *  0.3176% (0.90   0.02   0.02) =   0.002%
          QB    SER   13 - HN    CYS   21  14.64 +/- 2.74   1.918% *  0.0812% (0.23   0.02   0.02) =   0.002%
          HB    THR   39 - HN    CYS   21  14.50 +/- 2.57   1.471% *  0.0855% (0.24   0.02   0.02) =   0.001%
          HB    THR   39 - HN    ILE  119  22.02 +/- 3.81   0.398% *  0.2706% (0.76   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    CYS   21  15.36 +/- 2.09   1.050% *  0.1003% (0.28   0.02   0.02) =   0.001%
          HB    THR  118 - HN    CYS   21  19.81 +/- 4.38   0.917% *  0.1097% (0.31   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    ILE  119  24.90 +/- 4.18   0.258% *  0.3176% (0.90   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  17.11 +/- 6.33   1.360% *  0.0460% (0.13   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  18.52 +/- 3.25   0.596% *  0.1003% (0.28   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ILE  119  26.34 +/- 3.41   0.189% *  0.2571% (0.73   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  25.19 +/- 2.79   0.259% *  0.1456% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 8.61, residual support = 268.0:
          HG12  ILE  119 - HN    ILE  119   2.51 +/- 0.44  78.404% * 96.7194% (0.90   8.62 268.29) =  99.883%  kept
          HB2   ASP- 105 - HN    ILE  119  11.00 +/- 6.26   5.863% *  1.2703% (0.14   0.75   0.02) =   0.098%
          HB2   ASP-  44 - HN    ILE  119  12.86 +/- 2.54   1.097% *  0.2245% (0.90   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    ILE  119  16.48 +/- 3.95   2.124% *  0.1029% (0.41   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    CYS   21  13.09 +/- 3.58   2.925% *  0.0730% (0.29   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    ILE  119  16.24 +/- 2.94   0.590% *  0.2416% (0.97   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    CYS   21  10.53 +/- 2.31   1.708% *  0.0709% (0.28   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   21   9.91 +/- 1.33   1.523% *  0.0763% (0.30   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    ILE  119  18.33 +/- 2.26   0.306% *  0.2481% (0.99   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    CYS   21  10.35 +/- 1.42   1.710% *  0.0416% (0.17   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  12.40 +/- 1.79   1.080% *  0.0633% (0.25   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    CYS   21  18.69 +/- 4.36   0.746% *  0.0709% (0.28   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  22.88 +/- 2.96   0.166% *  0.2004% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  24.46 +/- 2.90   0.123% *  0.2311% (0.92   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  18.09 +/- 3.62   0.335% *  0.0784% (0.31   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  17.84 +/- 4.02   0.667% *  0.0270% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.15 +/- 4.16   0.108% *  0.1317% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  19.94 +/- 2.85   0.249% *  0.0325% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.85 +/- 4.81   0.066% *  0.0854% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.42 +/- 2.87   0.209% *  0.0107% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.58, residual support = 268.3:
      O   HB    ILE  119 - HN    ILE  119   2.35 +/- 0.20  80.025% * 99.0354% (0.92  10.0   7.58 268.29) =  99.992%  kept
          HG3   GLN   30 - HN    CYS   21   6.50 +/- 2.17   7.236% *  0.0336% (0.31   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    CYS   21   7.17 +/- 1.62   3.963% *  0.0313% (0.29   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    ILE  119  13.64 +/- 3.54   0.619% *  0.0779% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE  119  11.14 +/- 1.44   0.866% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  12.06 +/- 2.13   0.888% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  15.33 +/- 2.14   0.435% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.27 +/- 4.95   0.563% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  19.30 +/- 4.11   0.226% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.98 +/- 3.61   0.170% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.48 +/- 3.63   0.146% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  20.73 +/- 4.47   0.543% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  23.56 +/- 5.17   0.109% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.86 +/- 0.65   0.885% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.36 +/- 2.90   0.311% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.51 +/- 1.21   0.589% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.03 +/- 2.77   0.180% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  21.73 +/- 3.60   0.161% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.86 +/- 0.80   0.872% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  26.83 +/- 4.70   0.227% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  16.84 +/- 2.98   0.414% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  20.16 +/- 2.49   0.177% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.42 +/- 4.89   0.296% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  23.20 +/- 2.76   0.100% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.924, support = 7.63, residual support = 246.7:
          HG13  ILE  119 - HN    ILE  119   3.14 +/- 0.67  38.941% * 85.5627% (0.99   8.03 268.29) =  91.574%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.18  27.823% *  8.0577% (0.19   3.91  16.41) =   6.162%  kept
          QG1   VAL  107 - HN    ILE  119   6.13 +/- 3.82  20.669% *  3.7028% (0.20   1.74   0.02) =   2.103%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.83 +/- 0.42   2.743% *  1.8568% (0.25   0.69   8.54) =   0.140%  kept
          HD3   LYS+ 112 - HN    ILE  119   9.41 +/- 1.99   2.560% *  0.1304% (0.61   0.02   0.02) =   0.009%
          QG1   VAL   24 - HN    ILE  119  19.60 +/- 4.36   0.926% *  0.1047% (0.49   0.02   0.02) =   0.003%
          HG13  ILE  119 - HN    CYS   21  18.63 +/- 4.84   1.344% *  0.0674% (0.31   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    CYS   21   8.16 +/- 0.85   2.630% *  0.0331% (0.15   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  17.70 +/- 3.66   0.392% *  0.1304% (0.61   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.26 +/- 1.03   0.739% *  0.0678% (0.32   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.81 +/- 3.81   0.168% *  0.2146% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  21.84 +/- 6.21   0.362% *  0.0412% (0.19   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.06 +/- 2.83   0.394% *  0.0134% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  22.56 +/- 5.16   0.307% *  0.0169% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.254, support = 1.43, residual support = 7.79:
          HG3   LYS+  74 - HN    CYS   21   6.83 +/- 4.26  26.888% * 43.7382% (0.23   1.52  10.26) =  72.920%  kept
          HB    VAL   75 - HN    CYS   21   9.09 +/- 2.52   8.599% * 42.2371% (0.24   1.40   1.38) =  22.520%  kept
          QD2   LEU   40 - HN    ILE  119  13.50 +/- 4.09   6.991% *  2.3657% (0.95   0.02   0.02) =   1.025%  kept
          QG2   ILE  103 - HN    ILE  119  13.18 +/- 4.48   7.218% *  2.0889% (0.84   0.02   0.02) =   0.935%  kept
          QD1   LEU   67 - HN    ILE  119  13.54 +/- 3.35   5.797% *  2.3086% (0.92   0.02   0.02) =   0.830%  kept
          QD1   LEU   67 - HN    CYS   21  10.15 +/- 2.19  11.044% *  0.7295% (0.29   0.02   0.02) =   0.500%  kept
          HB    VAL   75 - HN    ILE  119  15.36 +/- 1.96   2.987% *  1.9112% (0.76   0.02   0.02) =   0.354%  kept
          HG3   LYS+  74 - HN    ILE  119  18.34 +/- 3.79   2.134% *  1.8160% (0.73   0.02   0.02) =   0.240%  kept
          QD2   LEU   40 - HN    CYS   21  12.66 +/- 2.18   4.953% *  0.7475% (0.30   0.02   0.02) =   0.230%  kept
          QD1   ILE  103 - HN    ILE  119  15.40 +/- 4.52   3.933% *  0.4380% (0.18   0.02   0.02) =   0.107%  kept
          QD2   LEU   71 - HN    CYS   21  10.33 +/- 2.36   8.173% *  0.1971% (0.08   0.02   0.02) =   0.100%
          QG2   ILE  103 - HN    CYS   21  15.51 +/- 2.58   2.268% *  0.6601% (0.26   0.02   0.02) =   0.093%
          QD2   LEU   71 - HN    ILE  119  17.07 +/- 2.68   2.332% *  0.6236% (0.25   0.02   0.02) =   0.090%
          QD1   ILE  103 - HN    CYS   21  14.84 +/- 3.34   6.682% *  0.1384% (0.06   0.02   0.02) =   0.057%
    Distance limit 3.59 A violated in 14 structures by 1.96 A, kept.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.98, residual support = 60.8:
          QG2   THR  118 - HN    ILE  119   3.13 +/- 0.40  98.343% * 99.9095% (0.57   6.98  60.76) =  99.998%  kept
          QG2   THR  118 - HN    CYS   21  15.70 +/- 3.56   1.657% *  0.0905% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.36 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 = 0.791, support = 3.71, residual support = 43.2:
          QB    ALA  120 - HN    ILE  119   4.17 +/- 0.12  34.519% * 60.0489% (0.80   4.38  52.36) =  78.681%  kept
          HG    LEU  115 - HN    ILE  119   5.89 +/- 0.97  16.104% * 14.9816% (0.80   1.09   9.47) =   9.158%  kept
          HB3   LEU  115 - HN    ILE  119   6.06 +/- 0.74  12.892% * 17.7058% (0.95   1.09   9.47) =   8.664%  kept
          HG    LEU   73 - HN    CYS   21   6.33 +/- 2.19  17.242% *  5.2014% (0.15   1.97   9.00) =   3.404%  kept
          HG    LEU   67 - HN    ILE  119  16.73 +/- 4.04   1.396% *  0.3395% (0.99   0.02   0.02) =   0.018%
          HG    LEU   40 - HN    ILE  119  16.29 +/- 4.25   1.063% *  0.3240% (0.95   0.02   0.02) =   0.013%
          HG    LEU   73 - HN    ILE  119  18.03 +/- 4.23   1.886% *  0.1667% (0.49   0.02   0.02) =   0.012%
          HG    LEU   67 - HN    CYS   21  13.07 +/- 2.81   2.449% *  0.1073% (0.31   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    ILE  119  14.06 +/- 3.53   1.997% *  0.1057% (0.31   0.02   0.02) =   0.008%
          HB3   LEU   40 - HN    ILE  119  17.69 +/- 4.65   0.870% *  0.1939% (0.57   0.02   0.02) =   0.006%
          HG    LEU   40 - HN    CYS   21  14.16 +/- 1.84   0.988% *  0.1024% (0.30   0.02   0.02) =   0.004%
          HB3   LEU  115 - HN    CYS   21  19.30 +/- 4.26   0.901% *  0.1024% (0.30   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    CYS   21  21.86 +/- 4.07   1.271% *  0.0656% (0.19   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    CYS   21  19.70 +/- 4.30   0.904% *  0.0867% (0.25   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ILE  119  16.95 +/- 4.09   1.133% *  0.0600% (0.18   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE  119  22.72 +/- 5.66   0.318% *  0.2078% (0.61   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    CYS   21  19.42 +/- 4.33   0.691% *  0.0867% (0.25   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    CYS   21  15.78 +/- 2.04   0.690% *  0.0613% (0.18   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    CYS   21  13.59 +/- 2.07   1.246% *  0.0334% (0.10   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    CYS   21  13.08 +/- 1.97   1.438% *  0.0190% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 0.995, support = 1.14, residual support = 1.36:
          QG2   VAL   75 - HN    CYS   21   7.29 +/- 2.31  47.124% * 97.3671% (1.00   1.16   1.38) =  98.976%  kept
          QG2   VAL   42 - HN    CYS   21  10.96 +/- 1.84  18.754% *  1.5964% (0.95   0.02   0.02) =   0.646%  kept
          QG2   VAL   42 - HN    ILE  119  10.97 +/- 3.74  22.513% *  0.5044% (0.30   0.02   0.02) =   0.245%  kept
          QG2   VAL   75 - HN    ILE  119  13.60 +/- 2.08  11.609% *  0.5321% (0.32   0.02   0.02) =   0.133%  kept
    Distance limit 4.49 A violated in 14 structures by 1.94 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   2.17 +/- 0.14  97.959% * 99.6430% (0.84  10.0   3.73  15.22) =  99.999%  kept
          QG2   VAL  107 - HN    ALA   20  16.97 +/- 2.79   0.619% *  0.1070% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ALA   20  23.20 +/- 5.17   0.242% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.07 +/- 1.33   0.539% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.51 +/- 4.19   0.380% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.15 +/- 3.39   0.260% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.66, residual support = 25.6:
          QG2   ILE   19 - HN    ALA   20   2.94 +/- 0.69  98.807% * 99.7536% (0.99   3.66  25.64) =  99.997%  kept
          QD1   LEU   98 - HN    ALA   20  14.86 +/- 2.71   1.193% *  0.2464% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 5.89, residual support = 169.9:
      O   HB    ILE   19 - HN    ILE   19   2.68 +/- 0.47  80.796% * 94.6130% (0.97  10.0   5.92 171.19) =  99.261%  kept
          HB2   GLN   17 - HN    ILE   19   6.15 +/- 0.76  11.536% *  4.8916% (0.73   1.0   1.37   0.02) =   0.733%  kept
          QB    GLU-  15 - HN    ILE   19   8.42 +/- 0.90   2.990% *  0.0712% (0.73   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    ILE   19  13.81 +/- 2.92   0.918% *  0.0905% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ILE   19  14.52 +/- 1.18   0.819% *  0.0879% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  20.84 +/- 3.32   0.663% *  0.0972% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ILE   19  13.98 +/- 3.42   1.257% *  0.0334% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE   19  23.94 +/- 4.24   0.289% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  18.74 +/- 2.95   0.386% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  19.81 +/- 2.90   0.346% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.728, support = 5.55, residual support = 142.0:
          HG12  ILE   19 - HN    ILE   19   3.23 +/- 1.03  45.704% * 65.0015% (0.73   6.24 171.19) =  82.426%  kept
          HG    LEU   73 - HN    ILE   19   6.46 +/- 3.44  20.552% * 27.6030% (0.80   2.40   4.96) =  15.740%  kept
          HB3   LYS+  74 - HN    ILE   19   7.50 +/- 4.72  14.149% *  4.0752% (0.18   1.62   8.27) =   1.600%  kept
          HG    LEU   67 - HN    ILE   19  10.35 +/- 2.89   3.458% *  1.4959% (0.22   0.47   0.02) =   0.144%  kept
          QB    ALA   61 - HN    ILE   19   9.91 +/- 2.54   3.616% *  0.2769% (0.97   0.02   0.02) =   0.028%
          HB3   LEU   67 - HN    ILE   19  10.12 +/- 2.86   2.792% *  0.2870% (1.00   0.02   0.02) =   0.022%
          QG    LYS+  66 - HN    ILE   19  11.90 +/- 2.17   1.524% *  0.2715% (0.95   0.02   0.02) =   0.011%
          HG    LEU   40 - HN    ILE   19  10.78 +/- 3.00   4.146% *  0.0886% (0.31   0.02   0.02) =   0.010%
          HG    LEU   80 - HN    ILE   19  16.65 +/- 7.47   1.426% *  0.2397% (0.84   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    ILE   19  18.65 +/- 3.68   0.673% *  0.2298% (0.80   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ILE   19  17.07 +/- 6.69   1.029% *  0.0886% (0.31   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE   19  20.93 +/- 3.74   0.250% *  0.1971% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ILE   19  19.33 +/- 2.68   0.324% *  0.0886% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  20.33 +/- 4.59   0.357% *  0.0568% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 165.5:
          HG13  ILE   19 - HN    ILE   19   3.21 +/- 0.76  57.256% * 82.3026% (0.97   5.93 171.19) =  96.550%  kept
          HG2   LYS+  74 - HN    ILE   19   8.41 +/- 4.93  13.503% *  9.2423% (0.99   0.65   8.27) =   2.557%  kept
          HG    LEU   71 - HN    ILE   19   9.28 +/- 4.39   5.618% *  7.3466% (0.98   0.52   0.47) =   0.846%  kept
          QG2   THR   39 - HN    ILE   19   8.71 +/- 3.00   6.144% *  0.1977% (0.69   0.02   0.02) =   0.025%
          QB    ALA   34 - HN    ILE   19   8.03 +/- 1.58  14.033% *  0.0390% (0.14   0.02   0.02) =   0.011%
          HG3   LYS+  99 - HN    ILE   19  17.01 +/- 3.16   0.844% *  0.2872% (1.00   0.02   0.02) =   0.005%
          QB    ALA   91 - HN    ILE   19  19.02 +/- 2.85   0.432% *  0.1977% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ILE   19  16.05 +/- 2.24   0.642% *  0.1183% (0.41   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ILE   19  15.74 +/- 1.74   0.757% *  0.0718% (0.25   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  19.36 +/- 3.87   0.491% *  0.1080% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  24.65 +/- 3.77   0.279% *  0.0888% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.351, support = 4.69, residual support = 21.8:
          QG1   VAL   18 - HN    ILE   19   3.27 +/- 0.55  71.411% * 71.8786% (0.34   4.86  22.73) =  96.087%  kept
          QD1   LEU   71 - HN    ILE   19   8.61 +/- 3.79  10.541% * 12.4519% (0.69   0.42   0.47) =   2.457%  kept
          QG1   VAL   70 - HN    ILE   19   9.18 +/- 2.10   5.213% * 13.9678% (0.45   0.72   0.11) =   1.363%  kept
          QD2   LEU  123 - HN    ILE   19  18.25 +/- 4.76   8.608% *  0.2679% (0.31   0.02   0.02) =   0.043%
          QD1   LEU  123 - HN    ILE   19  16.83 +/- 4.06   3.516% *  0.5962% (0.69   0.02   0.02) =   0.039%
          HB3   LEU  104 - HN    ILE   19  18.50 +/- 2.77   0.712% *  0.8376% (0.97   0.02   0.02) =   0.011%
    Distance limit 3.51 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.792, support = 4.89, residual support = 74.1:
          QG2   VAL   18 - HN    ILE   19   3.62 +/- 0.74  32.085% * 56.9209% (0.97   4.83  22.73) =  60.495%  kept
          QD1   ILE   19 - HN    ILE   19   3.82 +/- 0.66  28.451% * 37.2849% (0.57   5.39 171.19) =  35.137%  kept
          QD2   LEU   73 - HN    ILE   19   4.96 +/- 2.82  26.226% *  4.9300% (0.22   1.81   4.96) =   4.283%  kept
          QG1   VAL   41 - HN    ILE   19   8.58 +/- 3.62   5.929% *  0.2191% (0.90   0.02   0.02) =   0.043%
          QG1   VAL   43 - HN    ILE   19   9.65 +/- 3.81   3.067% *  0.2422% (0.99   0.02   0.02) =   0.025%
          QG2   THR   46 - HN    ILE   19  11.94 +/- 2.55   1.264% *  0.2191% (0.90   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    ILE   19   9.86 +/- 1.61   2.346% *  0.0833% (0.34   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    ILE   19  14.34 +/- 2.48   0.633% *  0.1005% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 4.49, residual support = 23.7:
          HG12  ILE   19 - HN    ALA   20   4.57 +/- 0.88  36.047% * 81.2965% (0.73   4.83  25.64) =  91.437%  kept
          HG    LEU   73 - HN    ALA   20   7.82 +/- 2.59  14.048% * 11.3818% (0.80   0.61   0.02) =   4.989%  kept
          HB3   LYS+  74 - HN    ALA   20   6.60 +/- 4.08  24.872% *  4.2735% (0.18   1.05   6.84) =   3.316%  kept
          QB    ALA   61 - HN    ALA   20  10.64 +/- 2.64   7.983% *  0.4470% (0.97   0.02   0.02) =   0.111%  kept
          HB3   LEU   67 - HN    ALA   20  12.06 +/- 2.24   2.544% *  0.4632% (1.00   0.02   0.02) =   0.037%
          QG    LYS+  66 - HN    ALA   20  12.72 +/- 1.64   2.002% *  0.4382% (0.95   0.02   0.02) =   0.027%
          HG    LEU   80 - HN    ALA   20  15.83 +/- 6.65   1.805% *  0.3869% (0.84   0.02   0.02) =   0.022%
          QB    ALA  110 - HN    ALA   20  19.62 +/- 3.64   1.706% *  0.3709% (0.80   0.02   0.02) =   0.020%
          HG2   LYS+ 102 - HN    ALA   20  23.23 +/- 4.16   1.118% *  0.3182% (0.69   0.02   0.02) =   0.011%
          HG    LEU   67 - HN    ALA   20  12.22 +/- 2.89   3.168% *  0.1031% (0.22   0.02   0.02) =   0.010%
          HG    LEU   40 - HN    ALA   20  13.99 +/- 2.21   1.793% *  0.1430% (0.31   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    ALA   20  16.57 +/- 5.82   1.174% *  0.1430% (0.31   0.02   0.02) =   0.005%
          HB3   LEU  115 - HN    ALA   20  20.69 +/- 3.80   0.814% *  0.1430% (0.31   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ALA   20  22.07 +/- 4.99   0.924% *  0.0917% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.571, support = 2.59, residual support = 6.88:
          HG    LEU   73 - HN    CYS   21   6.33 +/- 2.19  13.932% * 37.4170% (0.80   1.97   9.00) =  37.432%  kept
          HB3   LYS+  74 - HN    CYS   21   5.48 +/- 4.07  25.560% * 16.1998% (0.18   3.91  10.26) =  29.732%  kept
          HG12  ILE   19 - HN    CYS   21   6.54 +/- 0.93  10.727% * 38.5583% (0.73   2.24   0.73) =  29.698%  kept
          HB3   LEU  115 - HN    ILE  119   6.06 +/- 0.74  12.272% *  2.5224% (0.10   1.09   9.47) =   2.223%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.79 +/- 0.91   5.838% *  1.0249% (0.06   0.69   8.54) =   0.430%  kept
          HG    LEU   80 - HN    CYS   21  12.56 +/- 7.41   3.997% *  0.3953% (0.84   0.02   0.02) =   0.113%  kept
          QB    ALA   61 - HN    CYS   21  10.71 +/- 2.50   2.048% *  0.4568% (0.97   0.02   0.02) =   0.067%
          HB3   LEU   67 - HN    CYS   21  13.08 +/- 1.97   1.300% *  0.4733% (1.00   0.02   0.02) =   0.044%
          HG2   LYS+ 102 - HN    CYS   21  21.86 +/- 4.07   1.748% *  0.3251% (0.69   0.02   0.02) =   0.041%
          QG    LYS+  66 - HN    CYS   21  13.59 +/- 2.07   1.135% *  0.4477% (0.95   0.02   0.02) =   0.036%
          QB    ALA   61 - HN    ILE  119  10.26 +/- 1.19   2.433% *  0.1443% (0.30   0.02   0.02) =   0.025%
          QB    ALA  110 - HN    ILE  119  10.33 +/- 1.66   2.555% *  0.1198% (0.25   0.02   0.02) =   0.022%
          HB2   LEU   80 - HN    CYS   21  13.27 +/- 6.51   2.029% *  0.1461% (0.31   0.02   0.02) =   0.021%
          HG    LEU   73 - HN    ILE  119  18.03 +/- 4.23   2.321% *  0.1198% (0.25   0.02   0.02) =   0.020%
          HG    LEU   67 - HN    CYS   21  13.07 +/- 2.81   2.482% *  0.1054% (0.22   0.02   0.02) =   0.019%
          QG    LYS+  66 - HN    ILE  119  14.06 +/- 3.53   1.677% *  0.1415% (0.30   0.02   0.02) =   0.017%
          HB3   LEU   67 - HN    ILE  119  16.95 +/- 4.09   0.993% *  0.1496% (0.32   0.02   0.02) =   0.011%
          QB    ALA  110 - HN    CYS   21  18.14 +/- 3.15   0.358% *  0.3790% (0.80   0.02   0.02) =   0.010%
          HG    LEU   40 - HN    CYS   21  14.16 +/- 1.84   0.817% *  0.1461% (0.31   0.02   0.02) =   0.009%
          HB3   LEU  115 - HN    CYS   21  19.30 +/- 4.26   0.577% *  0.1461% (0.31   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    ILE  119  21.91 +/- 4.16   0.609% *  0.1249% (0.26   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    CYS   21  21.38 +/- 5.07   0.733% *  0.0937% (0.20   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ILE  119  16.29 +/- 4.25   1.071% *  0.0462% (0.10   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    ILE  119  16.73 +/- 4.04   1.263% *  0.0333% (0.07   0.02   0.02) =   0.003%
          HG12  ILE   19 - HN    ILE  119  21.56 +/- 3.58   0.354% *  0.1086% (0.23   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE  119  22.72 +/- 5.66   0.316% *  0.1027% (0.22   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE  119  21.47 +/- 3.18   0.363% *  0.0462% (0.10   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  119  18.42 +/- 3.56   0.493% *  0.0262% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.15, residual support = 84.4:
      O   QG    GLN   17 - HE21  GLN   17   2.29 +/- 0.33  93.482% * 99.5957% (0.48  10.0   3.15  84.39) =  99.995%  kept
          HB2   LYS+  38 - HE21  GLN   17  16.55 +/- 4.46   2.567% *  0.1053% (0.51   1.0   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HE21  GLN   17  17.13 +/- 5.01   2.247% *  0.0403% (0.20   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HE21  GLN   17  12.51 +/- 3.04   0.921% *  0.0879% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HE21  GLN   17  18.71 +/- 4.05   0.446% *  0.1161% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HE21  GLN   17  19.84 +/- 4.61   0.234% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  28.43 +/- 5.70   0.104% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 5.51, residual support = 49.7:
        T HN    VAL   18 - HN    GLN   17   4.45 +/- 0.07  91.270% * 99.9055% (0.73 10.00   5.51  49.74) =  99.991%  kept
          HN    SER   13 - HN    GLN   17  10.09 +/- 0.96   8.730% *  0.0945% (0.69  1.00   0.02   0.02) =   0.009%
    Distance limit 4.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.51, residual support = 49.7:
        T HN    GLN   17 - HN    VAL   18   4.45 +/- 0.07  90.417% * 99.7850% (0.89 10.00   5.51  49.74) =  99.989%  kept
          HD21  ASN   69 - HN    VAL   18  12.53 +/- 3.91   8.288% *  0.1079% (0.96  1.00   0.02   0.02) =   0.010%
          HN    TRP   87 - HN    VAL   18  22.78 +/- 5.32   1.295% *  0.1071% (0.96  1.00   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.413, support = 3.38, residual support = 8.24:
        T HN    LYS+  74 - HN    ILE   19   6.14 +/- 4.81  65.259% * 96.3773% (0.41 10.00   3.39   8.27) =  99.586%  kept
          HN    THR   46 - HN    ILE   19  14.16 +/- 3.53   7.378% *  3.3139% (0.84  1.00   0.34   0.02) =   0.387%  kept
          HN    MET   92 - HN    ILE   19  21.34 +/- 3.53   3.278% *  0.2262% (0.97  1.00   0.02   0.02) =   0.012%
          HN    MET   11 - HN    ILE   19  18.77 +/- 3.14  14.101% *  0.0362% (0.15  1.00   0.02   0.02) =   0.008%
          HN    ASP- 113 - HN    ILE   19  23.55 +/- 4.31   9.984% *  0.0464% (0.20  1.00   0.02   0.02) =   0.007%
    Distance limit 4.51 A violated in 5 structures by 1.92 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.853, support = 2.83, residual support = 2.79:
          HN    THR   26 - HN    VAL   24   4.34 +/- 0.20  70.784% * 94.0227% (0.87   2.88   2.75) =  97.862%  kept
          HN    LEU   80 - HN    VAL   24  12.04 +/- 6.90  25.900% *  5.5925% (0.20   0.75   4.37) =   2.130%  kept
          HN    CYS   53 - HN    VAL   24  21.35 +/- 4.32   1.369% *  0.2828% (0.38   0.02   0.02) =   0.006%
          HN    ALA   34 - HN    VAL   24  14.46 +/- 0.53   1.948% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 4.33, residual support = 25.6:
          HN    THR   23 - HN    VAL   24   3.92 +/- 0.40  76.548% * 89.0763% (0.98   4.38  25.76) =  98.757%  kept
          HD2   HIS   22 - HN    VAL   24   8.56 +/- 1.06   8.448% *  6.0560% (0.22   1.31   0.02) =   0.741%  kept
          HE3   TRP   27 - HN    VAL   24   8.23 +/- 0.34   8.942% *  3.6820% (0.76   0.23  27.00) =   0.477%  kept
          HN    LEU   67 - HN    VAL   24  18.16 +/- 3.65   2.755% *  0.2854% (0.69   0.02   0.02) =   0.011%
          QE    PHE   95 - HN    VAL   24  16.73 +/- 2.17   1.206% *  0.4118% (0.99   0.02   0.02) =   0.007%
          QD    PHE   55 - HN    VAL   24  22.57 +/- 4.53   0.723% *  0.3470% (0.84   0.02   0.02) =   0.004%
          HD1   TRP   49 - HN    VAL   24  19.89 +/- 5.03   1.379% *  0.1417% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 5.58:
          HE1   TRP   87 - HE1   TRP   27  11.45 +/- 7.06 100.000% *100.0000% (0.53   0.75   5.58) = 100.000%  kept
    Distance limit 4.10 A violated in 12 structures by 7.51 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.84, residual support = 21.4:
        T HN    ALA   34 - HN    ASN   35   2.73 +/- 0.04  86.683% * 97.1136% (0.98 10.00   4.85  21.48) =  99.711%  kept
          HN    GLN   32 - HN    ASN   35   5.18 +/- 0.23  12.860% *  1.8803% (0.53  1.00   0.72   3.63) =   0.286%  kept
        T HN    LEU   80 - HN    ASN   35  23.26 +/- 4.02   0.186% *  0.9146% (0.92 10.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    ASN   35  27.81 +/- 3.51   0.120% *  0.0719% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  25.51 +/- 4.90   0.151% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 18.9:
        T HN    SER   37 - HN    GLU-  36   2.57 +/- 0.14  99.269% * 99.7690% (0.98 10.00   4.47  18.93) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  15.84 +/- 1.59   0.490% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  26.20 +/- 3.63   0.113% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  26.18 +/- 4.03   0.128% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.34, residual support = 23.8:
        T HN    LYS+  38 - HN    THR   39   2.74 +/- 0.12  97.406% * 99.8693% (1.00 10.00   5.34  23.85) =  99.999%  kept
          HN    LEU   31 - HN    THR   39  10.15 +/- 0.77   2.035% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.19 +/- 2.24   0.423% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  26.82 +/- 3.19   0.136% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.761, support = 3.98, residual support = 15.6:
          HN    MET   96 - HN    VAL   43   3.68 +/- 1.46  81.462% * 97.7756% (0.76   4.00  15.71) =  99.485%  kept
          HN    PHE   72 - HN    VAL   43   8.19 +/- 0.72  18.538% *  2.2244% (0.22   0.31   0.02) =   0.515%  kept
    Distance limit 3.84 A violated in 1 structures by 0.35 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 3.04, residual support = 3.7:
          HN    LEU   73 - HN    ASP-  44   5.72 +/- 0.98  49.170% * 68.1337% (0.38   3.63   5.03) =  70.615%  kept
          HN    VAL   42 - HN    ASP-  44   5.97 +/- 0.55  44.975% * 30.8672% (0.38   1.64   0.52) =  29.262%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.26 +/- 1.51   5.855% *  0.9991% (1.00   0.02   0.02) =   0.123%  kept
    Distance limit 4.29 A violated in 0 structures by 0.71 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.69, residual support = 31.8:
          HN    VAL   42 - HN    VAL   43   4.24 +/- 0.19  62.648% * 62.7596% (0.38   6.23  38.25) =  78.932%  kept
          HN    LEU   73 - HN    VAL   43   6.05 +/- 1.30  28.461% * 36.7051% (0.38   3.65   7.51) =  20.972%  kept
          HN    LYS+ 106 - HN    VAL   43   9.69 +/- 2.07   8.891% *  0.5353% (1.00   0.02   0.02) =   0.096%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   8.96 +/- 1.85  47.685% * 15.3753% (0.65   0.02   0.02) =  38.902%  kept
          HN    ALA   84 - HN    ASP-  44  12.33 +/- 2.29  23.848% * 23.7147% (1.00   0.02   0.02) =  30.009%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.38 +/- 1.98  11.621% * 23.7147% (1.00   0.02   0.02) =  14.623%  kept
          HN    ILE   56 - HN    ASP-  44  14.70 +/- 1.33  11.814% * 18.1638% (0.76   0.02   0.02) =  11.386%  kept
          HE21  GLN   32 - HN    ASP-  44  20.19 +/- 2.48   5.031% * 19.0315% (0.80   0.02   0.02) =   5.081%  kept
    Distance limit 4.28 A violated in 20 structures by 3.96 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 0.518, residual support = 1.09:
          QD    PHE   60 - HN    ASP-  44   7.86 +/- 2.65  39.050% * 35.4239% (0.41   0.75   2.08) =  51.823%  kept
          HN    LYS+  66 - HN    ASP-  44  10.02 +/- 2.19  25.700% * 32.4771% (0.90   0.32   0.02) =  31.269%  kept
          QE    PHE   59 - HN    ASP-  44  11.12 +/- 2.18  17.264% * 19.6766% (0.92   0.19   0.02) =  12.726%  kept
          HN    PHE   59 - HN    ASP-  44  12.39 +/- 1.64   8.986% * 12.0678% (0.57   0.19   0.02) =   4.063%  kept
          HN    LYS+  81 - HN    ASP-  44  14.04 +/- 2.09   9.000% *  0.3545% (0.15   0.02   0.02) =   0.120%  kept
    Distance limit 4.58 A violated in 14 structures by 2.06 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.72, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.01 +/- 2.53  43.930% * 36.0114% (0.77   0.02   0.02) =  47.560%  kept
          HN    GLN   17 - HN    ASP-  62  15.31 +/- 3.47  36.791% * 29.1578% (0.63   0.02   0.02) =  32.251%  kept
          HN    TRP   87 - HN    ASP-  62  19.85 +/- 2.54  19.279% * 34.8308% (0.75   0.02   0.02) =  20.188%  kept
    Distance limit 3.46 A violated in 20 structures by 8.55 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 5.79, residual support = 41.9:
        T HN    LEU   63 - HN    ASP-  62   2.69 +/- 0.13  96.109% * 71.6171% (0.32 10.00   5.85  42.38) =  98.877%  kept
        T HN    ILE   56 - HN    ASP-  62   9.47 +/- 1.13   2.800% * 27.8648% (0.42 10.00   0.60   0.02) =   1.121%  kept
          HN    LYS+ 111 - HN    ASP-  62  15.13 +/- 1.75   0.633% *  0.1655% (0.75  1.00   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    ASP-  62  19.07 +/- 2.16   0.324% *  0.1655% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  25.07 +/- 2.11   0.134% *  0.1870% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.934, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   9.67 +/- 1.19  86.484% * 48.0011% (0.92   0.02   0.02) =  85.521%  kept
          HN    ALA  110 - HN    LEU   73  18.59 +/- 2.12  13.516% * 51.9989% (1.00   0.02   0.02) =  14.479%  kept
    Distance limit 4.05 A violated in 20 structures by 5.59 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.479, support = 3.71, residual support = 16.7:
          HN    VAL   75 - HN    ASP-  76   4.32 +/- 0.15  61.291% * 40.6237% (0.28   4.64  26.41) =  55.049%  kept
          HN    ASP-  78 - HN    ASP-  76   5.30 +/- 0.40  34.488% * 58.9186% (0.73   2.58   4.71) =  44.925%  kept
          HN    LYS+ 112 - HN    ASP-  76  17.97 +/- 4.42   3.838% *  0.2825% (0.45   0.02   0.02) =   0.024%
          HN    MET   11 - HN    ASP-  76  27.45 +/- 5.78   0.383% *  0.1752% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 5.33, residual support = 28.9:
        T HN    LYS+ 111 - HN    LYS+ 112   4.46 +/- 0.12  81.219% * 97.6939% (0.87 10.00   5.34  29.02) =  99.698%  kept
          HN    ILE   56 - HN    LYS+ 112  10.39 +/- 2.99  11.478% *  2.0558% (0.49  1.00   0.75   5.59) =   0.296%  kept
          HN    LEU   63 - HN    LYS+ 112  14.33 +/- 2.65   5.530% *  0.0423% (0.38  1.00   0.02   0.02) =   0.003%
          HN    ALA   84 - HN    LYS+ 112  19.80 +/- 3.60   1.526% *  0.0977% (0.87  1.00   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    LYS+ 112  32.39 +/- 3.51   0.247% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.506, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HN    GLN  116  10.80 +/- 2.53  30.796% * 26.8436% (0.65   0.02   0.02) =  48.835%  kept
          QD    PHE   55 - HN    GLN  116   8.31 +/- 2.63  53.116% * 11.5373% (0.28   0.02   0.02) =  36.202%  kept
          HN    LYS+  81 - HN    GLN  116  23.03 +/- 3.32   3.194% * 39.2529% (0.95   0.02   0.02) =   7.407%  kept
          HN    LYS+  66 - HN    GLN  116  16.30 +/- 2.86   9.189% *  8.2119% (0.20   0.02   0.02) =   4.458%  kept
          HE3   TRP   27 - HN    GLN  116  21.00 +/- 2.36   3.705% * 14.1544% (0.34   0.02   0.02) =   3.098%  kept
    Distance limit 4.36 A violated in 16 structures by 2.77 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 6.06, residual support = 47.0:
      O   HA    ILE  119 - HN    ALA  120   3.59 +/- 0.03  57.360% * 84.7402% (0.80  10.0   6.28  52.36) =  89.644%  kept
          HA    THR  118 - HN    ALA  120   4.20 +/- 0.40  37.366% * 15.0226% (0.67   1.0   4.24   0.43) =  10.353%  kept
          HD3   PRO   58 - HN    ALA  120  11.02 +/- 1.97   2.735% *  0.0193% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  21.56 +/- 4.67   0.620% *  0.0782% (0.74   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  14.83 +/- 2.41   1.099% *  0.0402% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  120  18.73 +/- 2.76   0.532% *  0.0402% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  21.74 +/- 2.07   0.288% *  0.0593% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.984, residual support = 5.54:
          HA    SER  117 - HN    ALA  120   3.66 +/- 0.27  93.469% * 96.3187% (0.92   0.98   5.54) =  99.935%  kept
          HA    ALA   57 - HN    ALA  120  12.62 +/- 1.36   2.693% *  0.8065% (0.38   0.02   0.02) =   0.024%
          HA    ASP-  62 - HN    ALA  120  13.58 +/- 1.33   2.004% *  1.0321% (0.49   0.02   0.02) =   0.023%
          HB    THR   26 - HN    ALA  120  25.66 +/- 4.90   0.853% *  1.4992% (0.71   0.02   0.02) =   0.014%
          HA1   GLY   51 - HN    ALA  120  19.13 +/- 3.33   0.981% *  0.3436% (0.16   0.02   0.02) =   0.004%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.14, residual support = 112.5:
      O   HG3   GLN  116 - HE21  GLN  116   3.18 +/- 0.60  98.612% * 99.8198% (0.69  10.0   4.14 112.53) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  21.87 +/- 3.46   0.523% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  19.35 +/- 2.91   0.629% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.63 +/- 3.96   0.235% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.615, support = 3.29, residual support = 81.9:
          HG    LEU  115 - HE21  GLN  116   7.52 +/- 1.84  21.780% * 30.6067% (0.41   4.17 102.28) =  41.769%  kept
          HB3   LEU  115 - HE21  GLN  116   8.52 +/- 1.27   9.992% * 61.0802% (0.95   3.62 102.28) =  38.242%  kept
          QB    ALA  120 - HE21  GLN  116   4.74 +/- 0.97  50.492% *  6.2645% (0.41   0.85   0.27) =  19.819%  kept
          QG    LYS+  66 - HE21  GLN  116  15.78 +/- 4.48   2.508% *  0.2453% (0.69   0.02   0.02) =   0.039%
          QB    ALA   61 - HE21  GLN  116  12.31 +/- 1.77   4.098% *  0.1218% (0.34   0.02   0.02) =   0.031%
          QB    ALA  110 - HE21  GLN  116  11.47 +/- 1.55   5.033% *  0.0625% (0.18   0.02   0.02) =   0.020%
          HG    LEU   67 - HE21  GLN  116  19.51 +/- 3.67   0.960% *  0.3097% (0.87   0.02   0.02) =   0.019%
          HG    LEU   40 - HE21  GLN  116  19.55 +/- 3.06   0.844% *  0.3378% (0.95   0.02   0.02) =   0.018%
          HG    LEU   73 - HE21  GLN  116  21.37 +/- 3.73   0.858% *  0.3097% (0.87   0.02   0.02) =   0.017%
          HB3   LEU   67 - HE21  GLN  116  19.76 +/- 3.77   0.912% *  0.1738% (0.49   0.02   0.02) =   0.010%
          HG2   LYS+ 102 - HE21  GLN  116  26.25 +/- 4.42   0.346% *  0.3378% (0.95   0.02   0.02) =   0.007%
          HG    LEU   80 - HE21  GLN  116  24.60 +/- 6.41   1.453% *  0.0707% (0.20   0.02   0.02) =   0.006%
          HB3   LEU   40 - HE21  GLN  116  20.77 +/- 3.44   0.723% *  0.0795% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.69 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.507, support = 1.4, residual support = 0.776:
          QB    GLU- 114 - HN    SER  117   4.77 +/- 0.31  45.270% * 63.8719% (0.61   1.34   0.84) =  74.675%  kept
          HB    ILE  119 - HN    SER  117   5.11 +/- 0.37  37.230% * 25.6835% (0.20   1.65   0.59) =  24.695%  kept
          HB2   LYS+ 111 - HN    SER  117   8.15 +/- 1.42  12.096% *  1.5738% (1.00   0.02   0.02) =   0.492%  kept
          HB3   GLU-  25 - HN    SER  117  28.49 +/- 5.03   0.720% *  1.4560% (0.92   0.02   0.02) =   0.027%
          HB3   PRO   68 - HN    SER  117  21.66 +/- 3.91   0.752% *  1.3175% (0.84   0.02   0.02) =   0.026%
          HB2   GLN   17 - HN    SER  117  24.16 +/- 3.98   0.511% *  1.5738% (1.00   0.02   0.02) =   0.021%
          HG2   PRO   68 - HN    SER  117  20.45 +/- 4.40   1.029% *  0.7072% (0.45   0.02   0.02) =   0.019%
          HB    ILE   19 - HN    SER  117  22.92 +/- 3.91   0.703% *  0.8299% (0.53   0.02   0.02) =   0.015%
          QB    GLU-  15 - HN    SER  117  25.31 +/- 2.85   0.357% *  1.5738% (1.00   0.02   0.02) =   0.015%
          HG3   GLN   30 - HN    SER  117  24.69 +/- 3.48   0.445% *  0.7072% (0.45   0.02   0.02) =   0.008%
          HB3   GLU- 100 - HN    SER  117  25.11 +/- 3.81   0.393% *  0.3933% (0.25   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    SER  117  24.10 +/- 3.27   0.494% *  0.3121% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.43, residual support = 2.94:
          HG    LEU  115 - HN    SER  117   5.50 +/- 0.82  29.360% * 41.1911% (0.84   2.94   2.20) =  41.255%  kept
          HB3   LEU  115 - HN    SER  117   5.50 +/- 0.29  26.951% * 39.7871% (0.92   2.57   2.20) =  36.579%  kept
          QB    ALA  120 - HN    SER  117   4.98 +/- 0.54  36.656% * 17.6924% (0.84   1.26   5.54) =  22.124%  kept
          HG    LEU   67 - HN    SER  117  19.03 +/- 3.58   1.015% *  0.3293% (0.98   0.02   0.02) =   0.011%
          HG    LEU   40 - HN    SER  117  18.38 +/- 2.74   0.853% *  0.3102% (0.92   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    SER  117  16.09 +/- 3.73   2.061% *  0.0934% (0.28   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    SER  117  19.99 +/- 3.90   1.057% *  0.1506% (0.45   0.02   0.02) =   0.005%
          HB3   LEU   40 - HN    SER  117  19.76 +/- 3.09   0.701% *  0.2038% (0.61   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    SER  117  23.51 +/- 4.49   0.442% *  0.1902% (0.57   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    SER  117  19.27 +/- 3.51   0.905% *  0.0518% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.982, support = 2.93, residual support = 15.2:
          HB2   PHE   97 - HN    LEU  104   3.14 +/- 0.80  70.252% * 78.2232% (1.00   3.06  16.00) =  94.093%  kept
          QE    LYS+ 106 - HN    LEU  104   6.04 +/- 1.06  18.597% * 16.7621% (0.76   0.86   0.33) =   5.337%  kept
          QE    LYS+  99 - HN    LEU  104   7.48 +/- 0.98   7.837% *  4.1276% (0.38   0.43  18.80) =   0.554%  kept
          HB3   TRP   27 - HN    LEU  104  16.50 +/- 2.94   1.280% *  0.5076% (0.99   0.02   0.02) =   0.011%
          HB3   PHE   60 - HN    LEU  104  17.44 +/- 2.92   0.546% *  0.2899% (0.57   0.02   0.02) =   0.003%
          QE    LYS+  38 - HN    LEU  104  14.97 +/- 3.13   1.488% *  0.0897% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.938, support = 5.41, residual support = 37.0:
          HG12  ILE  103 - HN    LEU  104   3.92 +/- 0.37  66.047% * 83.0855% (0.97   5.61  39.20) =  94.451%  kept
          QB    LYS+ 102 - HN    LEU  104   5.89 +/- 0.30  20.715% * 15.4042% (0.49   2.06   0.32) =   5.492%  kept
          HB    VAL   41 - HN    LEU  104  10.14 +/- 2.86   6.893% *  0.3072% (1.00   0.02   0.02) =   0.036%
          QB    LYS+  66 - HN    LEU  104  17.45 +/- 2.47   0.964% *  0.2906% (0.95   0.02   0.02) =   0.005%
          HG    LEU  123 - HN    LEU  104  18.92 +/- 5.73   1.096% *  0.2347% (0.76   0.02   0.02) =   0.004%
          HB2   LEU   71 - HN    LEU  104  14.88 +/- 3.34   1.815% *  0.1048% (0.34   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LEU  104  17.74 +/- 0.91   0.771% *  0.2230% (0.73   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    LEU  104  16.55 +/- 2.04   1.151% *  0.1153% (0.38   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU  104  22.75 +/- 3.58   0.549% *  0.2347% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.605, support = 1.8, residual support = 31.5:
          QB    LEU   98 - HN    ILE  103   4.28 +/- 0.71  82.646% * 89.0256% (0.61   1.80  31.57) =  99.721%  kept
          HD3   LYS+ 121 - HN    ILE  103  17.90 +/- 9.99   3.822% *  1.4593% (0.90   0.02   0.02) =   0.076%
          HB2   LEU   80 - HN    ILE  103  19.10 +/- 3.85   1.794% *  1.5949% (0.98   0.02   0.02) =   0.039%
          HG    LEU   80 - HN    ILE  103  19.87 +/- 4.12   1.949% *  1.2435% (0.76   0.02   0.02) =   0.033%
          QB    ALA  110 - HN    ILE  103  17.27 +/- 1.77   1.824% *  1.3029% (0.80   0.02   0.02) =   0.032%
          QB    ALA   61 - HN    ILE  103  16.88 +/- 3.35   2.537% *  0.9212% (0.57   0.02   0.02) =   0.032%
          HB3   LYS+  74 - HN    ILE  103  18.93 +/- 2.46   1.204% *  1.4114% (0.87   0.02   0.02) =   0.023%
          HG12  ILE   19 - HN    ILE  103  20.00 +/- 3.66   1.106% *  1.4114% (0.87   0.02   0.02) =   0.021%
          HB3   LEU   67 - HN    ILE  103  19.20 +/- 2.77   1.140% *  0.6689% (0.41   0.02   0.02) =   0.010%
          QB    ALA   12 - HN    ILE  103  24.21 +/- 5.62   1.123% *  0.5550% (0.34   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    ILE  103  20.57 +/- 2.43   0.857% *  0.4057% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.41 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.817, support = 5.32, residual support = 37.2:
          QD2   LEU  104 - HN    ILE  103   4.61 +/- 0.67  33.357% * 79.9205% (1.00   5.65  39.20) =  73.501%  kept
          QD1   LEU   98 - HN    ILE  103   3.77 +/- 0.99  49.712% * 19.2993% (0.31   4.42  31.57) =  26.451%  kept
          QG1   VAL   43 - HN    ILE  103   8.93 +/- 1.89   9.197% *  0.0965% (0.34   0.02   0.02) =   0.024%
          QG1   VAL   41 - HN    ILE  103   9.36 +/- 2.65   4.911% *  0.0560% (0.20   0.02   0.02) =   0.008%
          QG2   THR   46 - HN    ILE  103  16.61 +/- 2.39   1.365% *  0.1944% (0.69   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    ILE  103  16.70 +/- 2.85   0.715% *  0.2731% (0.97   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    ILE  103  16.90 +/- 3.51   0.744% *  0.1602% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.61 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 = 0.411, support = 6.88, residual support = 216.1:
          QD1   LEU  104 - HN    LEU  104   3.66 +/- 0.75  72.446% * 97.1287% (0.41   6.89 216.46) =  99.854%  kept
          QD1   LEU   73 - HN    LEU  104  11.38 +/- 2.68   4.403% *  0.6617% (0.97   0.02   0.02) =   0.041%
          QD2   LEU   63 - HN    LEU  104  12.94 +/- 3.32   4.417% *  0.4979% (0.73   0.02   0.02) =   0.031%
          QD1   LEU   63 - HN    LEU  104  13.53 +/- 2.76   2.783% *  0.6617% (0.97   0.02   0.02) =   0.026%
          QG2   VAL   41 - HN    LEU  104   8.46 +/- 2.36  12.351% *  0.1357% (0.20   0.02   0.02) =   0.024%
          QD2   LEU  115 - HN    LEU  104  13.91 +/- 2.91   2.129% *  0.4710% (0.69   0.02   0.02) =   0.014%
          QD2   LEU   80 - HN    LEU  104  16.35 +/- 3.33   1.472% *  0.4435% (0.65   0.02   0.02) =   0.009%
    Distance limit 4.63 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 = 0.564, support = 4.83, residual support = 21.2:
          QD1   LEU   98 - HN    ASP- 105   5.98 +/- 0.97  27.156% * 72.5466% (0.95   3.21   5.62) =  50.461%  kept
          QD2   LEU  104 - HN    ASP- 105   3.79 +/- 0.70  71.133% * 27.1827% (0.18   6.49  37.14) =  49.527%  kept
          QG2   ILE   19 - HN    ASP- 105  15.86 +/- 2.17   1.711% *  0.2707% (0.57   0.02   0.02) =   0.012%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.895, support = 4.01, residual support = 134.7:
          HG3   LYS+ 106 - HN    LYS+ 106   3.42 +/- 0.85  58.628% * 95.5271% (0.90   4.01 135.04) =  99.787%  kept
          HB2   LYS+ 112 - HN    LYS+ 106  14.77 +/- 3.15   7.685% *  0.5122% (0.97   0.02   0.02) =   0.070%
          HB    VAL   42 - HN    LYS+ 106  11.28 +/- 2.45   3.951% *  0.5296% (1.00   0.02   0.02) =   0.037%
          QB    LEU   98 - HN    LYS+ 106   8.62 +/- 0.82   6.021% *  0.2182% (0.41   0.02   0.02) =   0.023%
          HG3   LYS+ 102 - HN    LYS+ 106  12.29 +/- 1.36   2.158% *  0.5261% (0.99   0.02   0.02) =   0.020%
          HD3   LYS+ 121 - HN    LYS+ 106  13.03 +/- 8.63   8.163% *  0.0930% (0.18   0.02   0.02) =   0.014%
          QB    ALA   84 - HN    LYS+ 106  14.03 +/- 2.76   4.073% *  0.1638% (0.31   0.02   0.02) =   0.012%
          HB3   LEU   73 - HN    LYS+ 106  15.80 +/- 3.61   1.104% *  0.5296% (1.00   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    LYS+ 106  10.21 +/- 1.12   3.770% *  0.1182% (0.22   0.02   0.02) =   0.008%
          HB3   PRO   93 - HN    LYS+ 106  12.92 +/- 1.37   1.911% *  0.1810% (0.34   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HN    LYS+ 106  19.66 +/- 2.88   0.453% *  0.5296% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+ 106  21.33 +/- 2.80   0.419% *  0.5202% (0.98   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LYS+ 106  26.39 +/- 4.34   0.319% *  0.3646% (0.69   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LYS+ 106  18.23 +/- 2.37   0.684% *  0.1050% (0.20   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+ 106  18.01 +/- 4.84   0.662% *  0.0819% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 2.84, residual support = 26.2:
          QG1   VAL  107 - HN    LYS+ 106   4.78 +/- 0.67  71.892% * 97.0480% (0.53   2.85  26.23) =  99.814%  kept
          HG    LEU   63 - HN    LYS+ 106  15.34 +/- 3.72   3.935% *  0.9405% (0.73   0.02   0.02) =   0.053%
          QG2   VAL   24 - HN    LYS+ 106  16.92 +/- 3.34   3.218% *  1.1235% (0.87   0.02   0.02) =   0.052%
          HG3   LYS+ 112 - HN    LYS+ 106  15.35 +/- 2.83   5.992% *  0.3998% (0.31   0.02   0.02) =   0.034%
          HD3   LYS+ 112 - HN    LYS+ 106  15.40 +/- 2.99  11.922% *  0.1998% (0.15   0.02   0.02) =   0.034%
          QG1   VAL   24 - HN    LYS+ 106  17.92 +/- 3.59   3.041% *  0.2884% (0.22   0.02   0.02) =   0.013%
    Distance limit 4.86 A violated in 0 structures by 0.26 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 +/- 0.09  82.786% * 99.4335% (0.98   4.52  65.03) =  99.966%  kept
          QD1   LEU   40 - HN    VAL  108  13.31 +/- 2.87   6.074% *  0.2184% (0.49   0.02   0.02) =   0.016%
          QD2   LEU   67 - HN    VAL  108  15.60 +/- 4.21   9.438% *  0.1119% (0.25   0.02   0.02) =   0.013%
          HB3   LEU   63 - HN    VAL  108  15.88 +/- 3.63   1.702% *  0.2361% (0.53   0.02   0.02) =   0.005%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 2.84, residual support = 7.62:
          QG2   ILE   89 - HN    ALA   91   3.63 +/- 0.44  80.202% * 98.4189% (1.00   2.84   7.63) =  99.847%  kept
          QG1   VAL   83 - HN    TRP   27  11.81 +/- 5.79  10.319% *  1.0115% (0.07   0.45   0.18) =   0.132%  kept
          QG1   VAL   83 - HN    ALA   91  10.49 +/- 0.92   3.764% *  0.3641% (0.53   0.02   0.02) =   0.017%
          QG2   ILE   89 - HN    TRP   27  14.71 +/- 3.21   1.897% *  0.0855% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ALA   91  17.23 +/- 1.95   0.934% *  0.1068% (0.15   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    TRP   27  16.02 +/- 3.36   2.884% *  0.0132% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.449, support = 5.27, residual support = 38.8:
          HG3   LYS+  99 - HN    GLU- 100   3.75 +/- 0.62  53.523% * 94.9546% (0.45   5.30  39.00) =  99.423%  kept
          QG2   THR   39 - HN    GLU- 100   8.51 +/- 4.11  15.264% *  0.7558% (0.95   0.02   0.02) =   0.226%  kept
          QB    ALA   34 - HN    GLU- 100   7.75 +/- 3.37  17.188% *  0.5802% (0.73   0.02   0.02) =   0.195%  kept
          HG3   LYS+  38 - HN    GLU- 100  10.16 +/- 5.81   6.270% *  0.7919% (0.99   0.02   0.02) =   0.097%
          HG    LEU   71 - HN    GLU- 100  12.26 +/- 4.21   3.002% *  0.2999% (0.38   0.02   0.02) =   0.018%
          HG13  ILE   19 - HN    GLU- 100  16.15 +/- 3.62   1.261% *  0.5169% (0.65   0.02   0.02) =   0.013%
          QG2   THR   23 - HN    GLU- 100  17.92 +/- 3.41   1.928% *  0.2999% (0.38   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    GLU- 100  20.62 +/- 3.26   0.483% *  0.7166% (0.90   0.02   0.02) =   0.007%
          QB    ALA   91 - HN    GLU- 100  20.68 +/- 1.23   0.400% *  0.7558% (0.95   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HN    GLU- 100  18.04 +/- 2.06   0.681% *  0.3285% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.564, support = 0.978, residual support = 5.5:
          QB    ALA   84 - HN    LYS+  81   4.45 +/- 0.18  79.223% * 76.0591% (0.57   0.98   5.53) =  99.423%  kept
          HB3   LEU   73 - HN    LYS+  81  15.48 +/- 3.05   2.711% *  2.5209% (0.92   0.02   0.02) =   0.113%  kept
          HB3   PRO   93 - HN    LYS+  81  15.75 +/- 2.37   2.717% *  1.6564% (0.61   0.02   0.02) =   0.074%
          HG3   LYS+  65 - HN    LYS+  81  18.81 +/- 4.17   1.818% *  2.3688% (0.87   0.02   0.02) =   0.071%
          HG3   LYS+ 106 - HN    LYS+  81  19.50 +/- 3.32   1.513% *  2.7309% (1.00   0.02   0.02) =   0.068%
          HB2   LYS+ 112 - HN    LYS+  81  22.65 +/- 4.70   1.076% *  2.6768% (0.98   0.02   0.02) =   0.048%
          HB    VAL   42 - HN    LYS+  81  19.45 +/- 2.00   1.062% *  2.3688% (0.87   0.02   0.02) =   0.042%
          HG3   LYS+ 102 - HN    LYS+  81  24.33 +/- 4.29   0.732% *  2.5833% (0.95   0.02   0.02) =   0.031%
          HG3   LYS+  33 - HN    LYS+  81  23.87 +/- 5.57   0.850% *  2.1867% (0.80   0.02   0.02) =   0.031%
          HB3   ASP-  44 - HN    LYS+  81  14.84 +/- 2.31   2.880% *  0.6080% (0.22   0.02   0.02) =   0.029%
          HG    LEU   98 - HN    LYS+  81  19.72 +/- 3.07   1.176% *  1.2243% (0.45   0.02   0.02) =   0.024%
          QB    LEU   98 - HN    LYS+  81  17.40 +/- 2.81   1.802% *  0.5404% (0.20   0.02   0.02) =   0.016%
          QB    ALA   12 - HN    LYS+  81  26.07 +/- 5.79   0.763% *  1.1227% (0.41   0.02   0.02) =   0.014%
          QB    ALA  124 - HN    LYS+  81  27.03 +/- 4.49   0.586% *  0.9315% (0.34   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    LYS+  81  19.87 +/- 2.59   1.091% *  0.4214% (0.15   0.02   0.02) =   0.008%
    Distance limit 4.23 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.81, residual support = 212.6:
          QD1   ILE   89 - HN    ILE   89   3.17 +/- 0.68  76.478% * 94.7855% (0.92   5.89 215.77) =  98.526%  kept
          QG2   VAL   83 - HN    ILE   89   5.44 +/- 0.58  21.712% *  4.9752% (1.00   0.29   0.02) =   1.468%  kept
          QD2   LEU   31 - HN    ILE   89  15.12 +/- 4.12   1.810% *  0.2393% (0.69   0.02   0.02) =   0.006%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.365, support = 4.14, residual support = 9.96:
          QB    ALA   88 - HN    ILE   89   3.35 +/- 0.31  59.836% * 60.2593% (0.34   4.76   9.11) =  77.290%  kept
          QB    ALA   84 - HN    ILE   89   4.52 +/- 0.96  31.098% * 33.8982% (0.45   2.04  12.93) =  22.597%  kept
          HB3   LEU   80 - HN    ILE   89   9.76 +/- 1.08   2.697% *  0.7278% (0.98   0.02   0.02) =   0.042%
          HB3   ASP-  44 - HN    ILE   89  12.51 +/- 1.56   1.276% *  0.6202% (0.84   0.02   0.02) =   0.017%
          HG2   LYS+ 111 - HN    ILE   89  16.56 +/- 3.12   0.836% *  0.7278% (0.98   0.02   0.02) =   0.013%
          HB3   PRO   93 - HN    ILE   89  11.79 +/- 1.25   1.770% *  0.3053% (0.41   0.02   0.02) =   0.012%
          HG    LEU   98 - HN    ILE   89  15.08 +/- 4.00   1.031% *  0.4204% (0.57   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    ILE   89  20.08 +/- 5.22   0.474% *  0.7409% (1.00   0.02   0.02) =   0.008%
          HB2   LEU   63 - HN    ILE   89  18.53 +/- 2.13   0.401% *  0.6854% (0.92   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HN    ILE   89  21.38 +/- 3.51   0.272% *  0.5946% (0.80   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ILE   89  24.94 +/- 2.85   0.172% *  0.5100% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    ILE   89  26.54 +/- 3.44   0.137% *  0.5100% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.71 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 = 0.657, support = 3.9, residual support = 34.6:
          QB    ALA   91 - HN    GLN   90   3.84 +/- 0.46  54.018% * 60.7310% (0.84   2.98  32.41) =  69.581%  kept
          HG12  ILE   89 - HN    GLN   90   4.33 +/- 0.55  39.393% * 36.3640% (0.25   5.99  39.55) =  30.383%  kept
          HG2   LYS+  74 - HN    GLN   90  15.29 +/- 2.69   1.191% *  0.4497% (0.92   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    GLN   90  14.44 +/- 3.25   1.845% *  0.1828% (0.38   0.02   0.02) =   0.007%
          HG3   LYS+ 111 - HN    GLN   90  14.01 +/- 2.23   1.616% *  0.0964% (0.20   0.02   0.02) =   0.003%
          QG2   THR   39 - HN    GLN   90  20.72 +/- 1.71   0.379% *  0.4069% (0.84   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    GLN   90  22.95 +/- 3.09   0.308% *  0.4872% (1.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    GLN   90  22.82 +/- 3.04   0.316% *  0.4369% (0.90   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    GLN   90  23.33 +/- 2.28   0.268% *  0.4608% (0.95   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    GLN   90  19.16 +/- 2.06   0.521% *  0.1085% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    GLN   90  28.47 +/- 2.05   0.146% *  0.2758% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.87 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 = 5.68, residual support = 89.8:
      O   HB2   GLN   90 - HN    GLN   90   3.69 +/- 0.53  92.764% * 99.4917% (0.73  10.0   5.68  89.80) =  99.991%  kept
          HB3   GLU-  79 - HN    GLN   90  12.60 +/- 2.93   5.585% *  0.1343% (0.98   1.0   0.02   0.02) =   0.008%
          HB3   GLU-  29 - HN    GLN   90  25.59 +/- 3.62   0.362% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  26.36 +/- 2.10   0.297% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  25.09 +/- 3.74   0.395% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  25.04 +/- 2.58   0.367% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  28.64 +/- 1.96   0.229% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 5.47, residual support = 43.3:
          QD2   LEU   73 - HN    PHE   72   4.82 +/- 0.50  30.448% * 97.6105% (0.87   5.51  43.62) =  99.196%  kept
          QG1   VAL   43 - HN    PHE   72   7.87 +/- 1.07   9.334% *  1.1943% (0.57   0.10   0.02) =   0.372%  kept
          QG1   VAL   41 - HN    PHE   72   6.20 +/- 1.28  20.911% *  0.3121% (0.76   0.02   0.02) =   0.218%  kept
          QG2   VAL   18 - HN    PHE   72   6.00 +/- 3.75  31.802% *  0.1393% (0.34   0.02   0.76) =   0.148%  kept
          HG    LEU   31 - HN    PHE   72  10.40 +/- 1.20   3.531% *  0.3942% (0.97   0.02   0.02) =   0.046%
          QD1   ILE   56 - HN    PHE   72  14.36 +/- 1.62   1.289% *  0.2477% (0.61   0.02   0.02) =   0.011%
          QG2   THR   46 - HN    PHE   72  11.06 +/- 0.95   2.686% *  0.1018% (0.25   0.02   0.02) =   0.009%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 46.5:
          QB    ALA   64 - HN    PHE   72   3.63 +/- 0.83  97.656% * 99.9182% (1.00   4.28  46.55) =  99.998%  kept
          QB    ALA   47 - HN    PHE   72  14.71 +/- 1.63   2.344% *  0.0818% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.702, support = 2.55, residual support = 8.13:
          HB    ILE   19 - HN    LYS+  74   6.60 +/- 3.68  42.077% * 91.7203% (0.71   2.59   8.27) =  98.263%  kept
          HB2   GLN   17 - HN    LYS+  74  10.94 +/- 3.95   9.751% *  4.8151% (0.43   0.22   0.02) =   1.195%  kept
          HG2   PRO   68 - HN    LYS+  74  14.36 +/- 2.44   9.267% *  0.6963% (0.69   0.02   0.02) =   0.164%  kept
          QB    GLU- 114 - HN    LYS+  74  18.69 +/- 3.15   6.284% *  0.7088% (0.71   0.02   0.02) =   0.113%  kept
          HB3   GLU-  25 - HN    LYS+  74  14.13 +/- 2.45   4.437% *  0.5688% (0.57   0.02   0.02) =   0.064%
          QB    GLU-  15 - HN    LYS+  74  13.08 +/- 3.69   5.089% *  0.4309% (0.43   0.02   0.02) =   0.056%
          HB2   LEU  115 - HN    LYS+  74  17.48 +/- 2.97   6.739% *  0.2423% (0.24   0.02   0.02) =   0.042%
          HG3   PRO   58 - HN    LYS+  74  17.50 +/- 2.95   5.453% *  0.2666% (0.27   0.02   0.02) =   0.037%
          HB3   PRO   68 - HN    LYS+  74  14.56 +/- 2.69   7.710% *  0.1771% (0.18   0.02   0.02) =   0.035%
          HB2   LYS+ 111 - HN    LYS+  74  21.36 +/- 3.92   3.194% *  0.3737% (0.37   0.02   0.02) =   0.030%
    Distance limit 4.65 A violated in 7 structures by 1.52 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.38, residual support = 41.3:
          QD1   LEU   73 - HN    LYS+  74   4.24 +/- 0.60  60.028% * 97.1092% (0.37   5.40  41.39) =  99.685%  kept
          QD2   LEU   80 - HN    LYS+  74   9.50 +/- 3.12  10.862% *  0.6133% (0.64   0.02   0.02) =   0.114%  kept
          QD1   LEU   63 - HN    LYS+  74   9.38 +/- 2.34  11.224% *  0.3598% (0.37   0.02   0.02) =   0.069%
          QG1   VAL   83 - HN    LYS+  74  10.67 +/- 2.63   6.154% *  0.5226% (0.54   0.02   0.02) =   0.055%
          QD1   LEU  104 - HN    LYS+  74  13.78 +/- 2.62   3.458% *  0.6823% (0.71   0.02   0.02) =   0.040%
          QD2   LEU  115 - HN    LYS+  74  14.05 +/- 2.36   2.482% *  0.5931% (0.61   0.02   0.02) =   0.025%
          QG2   ILE   89 - HN    LYS+  74  11.31 +/- 2.43   5.793% *  0.1198% (0.12   0.02   0.02) =   0.012%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.355, support = 4.55, residual support = 27.4:
          QG2   THR   77 - HN    ASP-  78   3.64 +/- 0.71  61.123% * 77.6505% (0.34   4.74  28.41) =  95.667%  kept
          HB3   LEU   80 - HN    ASP-  78   6.92 +/- 0.97  12.517% * 16.4499% (0.69   0.50   6.26) =   4.150%  kept
          HB3   ASP-  44 - HN    ASP-  78  10.81 +/- 1.98   6.332% *  0.4309% (0.45   0.02   0.02) =   0.055%
          QB    ALA   84 - HN    ASP-  78   6.83 +/- 1.35  13.059% *  0.1483% (0.15   0.02   0.02) =   0.039%
          QB    ALA   88 - HN    ASP-  78  12.63 +/- 1.26   1.744% *  0.6979% (0.73   0.02   0.02) =   0.025%
          HG2   LYS+ 111 - HN    ASP-  78  19.61 +/- 4.35   1.241% *  0.8619% (0.90   0.02   0.02) =   0.022%
          HB2   LEU   63 - HN    ASP-  78  14.58 +/- 2.97   1.810% *  0.5441% (0.57   0.02   0.02) =   0.020%
          HB2   LEU   31 - HN    ASP-  78  19.91 +/- 2.75   0.486% *  0.8028% (0.84   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HN    ASP-  78  24.12 +/- 1.92   0.265% *  0.9611% (1.00   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    ASP-  78  23.67 +/- 5.20   0.622% *  0.2966% (0.31   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    ASP-  78  26.58 +/- 1.95   0.181% *  0.9421% (0.98   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    ASP-  78  18.58 +/- 2.06   0.620% *  0.2140% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.35 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 = 0.938, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   8.69 +/- 3.43  56.870% * 32.6601% (0.92   0.02   0.02) =  56.020%  kept
          QG1   VAL   42 - HN    ASP-  78  12.39 +/- 1.62  24.529% * 34.6797% (0.98   0.02   0.02) =  25.656%  kept
          HG2   LYS+ 112 - HN    ASP-  78  18.52 +/- 5.58  18.601% * 32.6601% (0.92   0.02   0.02) =  18.323%  kept
    Distance limit 4.59 A violated in 15 structures by 3.35 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.666, support = 4.23, residual support = 24.9:
          HB    THR   77 - HN    ASP-  78   3.93 +/- 0.36  56.667% * 38.0916% (0.45   4.74  28.41) =  53.954%  kept
          HA    GLU-  79 - HN    ASP-  78   4.88 +/- 0.18  30.562% * 60.1989% (0.92   3.64  20.82) =  45.987%  kept
          HA    ALA   57 - HN    ASP-  78  16.24 +/- 4.89   1.892% *  0.3217% (0.90   0.02   0.02) =   0.015%
          HA    ASP-  44 - HN    ASP-  78  10.92 +/- 1.34   4.202% *  0.1346% (0.38   0.02   0.02) =   0.014%
          HA1   GLY   51 - HN    ASP-  78  16.78 +/- 4.02   1.286% *  0.3579% (1.00   0.02   0.02) =   0.012%
          HA    SER   85 - HN    ASP-  78  12.55 +/- 1.54   1.982% *  0.1608% (0.45   0.02   0.02) =   0.008%
          HA    SER  117 - HN    ASP-  78  21.84 +/- 5.46   2.297% *  0.0628% (0.18   0.02   0.02) =   0.004%
          HA    ILE  103 - HN    ASP-  78  20.16 +/- 2.26   0.585% *  0.2031% (0.57   0.02   0.02) =   0.003%
          HA    THR   39 - HN    ASP-  78  22.78 +/- 1.99   0.331% *  0.3462% (0.97   0.02   0.02) =   0.003%
          HA    MET   11 - HN    ASP-  78  30.36 +/- 5.62   0.196% *  0.1224% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.57, residual support = 39.5:
      O   HA    ASP-  78 - HN    ASP-  78   2.82 +/- 0.05  89.680% * 98.6688% (1.00  10.0   4.57  39.54) =  99.904%  kept
          HA    LEU   80 - HN    ASP-  78   6.94 +/- 0.69   6.976% *  1.1967% (0.49   1.0   0.50   6.26) =   0.094%
          HA    THR   23 - HN    ASP-  78  13.60 +/- 4.36   1.621% *  0.0856% (0.87   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    ASP-  78  15.44 +/- 4.31   0.965% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  20.35 +/- 3.92   0.758% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 8.06, residual support = 201.1:
      O   HA    ILE  119 - HN    ILE  119   2.80 +/- 0.05  59.808% * 50.7779% (1.00  10.0   8.56 268.29) =  67.633%  kept
      O   HA    THR  118 - HN    ILE  119   3.55 +/- 0.05  29.655% * 49.0042% (0.97  10.0   7.03  60.76) =  32.364%  kept
          HA2   GLY  109 - HN    ILE  119  13.07 +/- 2.51   0.944% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ILE  119  19.88 +/- 3.87   0.339% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    CYS   21   7.78 +/- 3.54   5.822% *  0.0028% (0.06   1.0   0.02   1.38) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.29 +/- 4.57   0.994% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  19.78 +/- 4.12   0.984% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  19.98 +/- 1.75   0.180% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  16.40 +/- 3.98   0.407% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.19 +/- 4.58   0.321% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  16.88 +/- 2.58   0.377% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  22.15 +/- 2.84   0.170% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.697, support = 5.36, residual support = 30.0:
          HB2   CYS   53 - HN    ARG+  54   3.52 +/- 0.40  55.577% * 83.0524% (0.72   5.53  31.64) =  94.490%  kept
          HD3   PRO   52 - HN    ARG+  54   5.26 +/- 0.23  17.798% * 14.4474% (0.26   2.64   1.85) =   5.264%  kept
          HD2   PRO   58 - HN    ASP-  62   7.25 +/- 0.90   7.865% *  0.8024% (0.16   0.24   0.02) =   0.129%  kept
          HD2   PRO   58 - HN    ARG+  54   7.83 +/- 1.45   8.121% *  0.3630% (0.87   0.02   0.02) =   0.060%
          HB2   CYS   53 - HN    ASP-  62  10.05 +/- 2.63   6.839% *  0.3604% (0.14   0.13   0.02) =   0.050%
          HA    VAL   83 - HN    ARG+  54  22.01 +/- 3.09   0.340% *  0.3411% (0.82   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ARG+  54  28.80 +/- 3.94   0.151% *  0.3284% (0.79   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    ASP-  62  14.96 +/- 3.13   1.987% *  0.0205% (0.05   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    ASP-  62  20.04 +/- 2.45   0.389% *  0.0638% (0.15   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  25.62 +/- 2.88   0.162% *  0.1341% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.38 +/- 2.81   0.299% *  0.0615% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.25 +/- 1.81   0.471% *  0.0251% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.903, support = 0.757, residual support = 0.397:
          QG2   VAL   18 - HN    ALA   61   9.12 +/- 3.56  22.386% * 44.2183% (0.95   1.01   0.69) =  52.667%  kept
          QG2   THR   46 - HN    ALA   61   7.40 +/- 1.93  27.371% * 15.7351% (0.87   0.39   0.02) =  22.915%  kept
          QG1   VAL   43 - HN    ALA   61  10.57 +/- 1.89  11.690% * 29.7843% (1.00   0.64   0.14) =  18.525%  kept
          QD2   LEU   73 - HN    ALA   61   9.82 +/- 2.08  15.038% *  4.8398% (0.25   0.42   0.02) =   3.872%  kept
          QD1   ILE   19 - HN    ALA   61  12.86 +/- 2.34   7.661% *  3.8675% (0.53   0.16   0.02) =   1.576%  kept
          QG1   VAL   41 - HN    ALA   61  13.02 +/- 2.28   5.532% *  0.8575% (0.92   0.02   0.02) =   0.252%  kept
          QD2   LEU  104 - HN    ALA   61  14.81 +/- 3.47   7.875% *  0.3486% (0.38   0.02   0.02) =   0.146%  kept
          HG    LEU   31 - HN    ALA   61  16.59 +/- 2.28   2.447% *  0.3486% (0.38   0.02   0.02) =   0.045%
    Distance limit 4.66 A violated in 8 structures by 1.03 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.919, support = 5.67, residual support = 51.5:
          QB    GLU-  36 - HN    ASN   35   4.15 +/- 0.13  69.547% * 96.5988% (0.92   5.70  51.80) =  99.349%  kept
          HB2   LYS+  38 - HN    ASN   35   6.82 +/- 0.85  18.924% *  2.1238% (0.28   0.42   0.02) =   0.594%  kept
          HB3   GLU-  29 - HN    ASN   35   9.05 +/- 0.64   7.081% *  0.3636% (0.99   0.02   0.02) =   0.038%
          HG3   GLU-  29 - HN    ASN   35  11.16 +/- 0.50   3.685% *  0.2664% (0.73   0.02   0.02) =   0.015%
          HB3   GLU-  79 - HN    ASN   35  22.62 +/- 3.23   0.525% *  0.3183% (0.87   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    ASN   35  28.48 +/- 2.91   0.238% *  0.3290% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 48.1:
      O   QB    MET   11 - HN    MET   11   2.83 +/- 0.40  90.612% * 99.3665% (0.69  10.0   3.00  48.10) =  99.994%  kept
          HG3   GLU-  36 - HN    MET   11  17.18 +/- 6.04   2.526% *  0.1255% (0.87   1.0   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    MET   11   9.60 +/- 1.70   3.472% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  13.11 +/- 1.48   1.380% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    MET   11  23.50 +/- 7.29   1.419% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  30.16 +/- 6.89   0.159% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  34.00 +/- 4.89   0.078% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  37.27 +/- 5.96   0.064% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  36.36 +/- 7.35   0.123% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.56 +/- 4.57   0.166% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 48.1:
          HG2   MET   11 - HN    MET   11   3.76 +/- 0.85  87.333% * 97.3780% (0.92   3.31  48.10) =  99.936%  kept
          HB2   GLU-  14 - HN    MET   11  10.89 +/- 1.69   6.554% *  0.6025% (0.95   0.02   0.02) =   0.046%
          QB    GLN   32 - HN    MET   11  17.29 +/- 5.12   3.692% *  0.1771% (0.28   0.02   0.02) =   0.008%
          HG2   PRO   58 - HN    MET   11  33.04 +/- 6.15   0.472% *  0.6243% (0.98   0.02   0.02) =   0.003%
          HB2   PRO   68 - HN    MET   11  24.23 +/- 5.51   0.886% *  0.3100% (0.49   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    MET   11  37.25 +/- 8.00   0.208% *  0.6243% (0.98   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    MET   11  25.04 +/- 6.15   0.672% *  0.1418% (0.22   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    MET   11  34.48 +/- 4.38   0.183% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 48.1:
          HG3   MET   11 - HN    MET   11   3.29 +/- 0.51  91.058% * 98.0248% (0.92   3.31  48.10) =  99.962%  kept
          HB3   GLU-  14 - HN    MET   11  11.00 +/- 1.98   5.842% *  0.4902% (0.76   0.02   0.02) =   0.032%
          HB3   LYS+  38 - HN    MET   11  21.46 +/- 5.95   1.524% *  0.1269% (0.20   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    MET   11  19.21 +/- 4.63   0.806% *  0.2188% (0.34   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    MET   11  31.84 +/- 5.97   0.135% *  0.4406% (0.69   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  30.09 +/- 5.54   0.176% *  0.2876% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    MET   11  23.66 +/- 4.56   0.376% *  0.0990% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  36.93 +/- 5.60   0.084% *  0.3122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.829, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  16.72 +/- 4.92  43.137% * 22.9200% (1.00   0.02   0.02) =  58.348%  kept
          HD3   LYS+  74 - HN    MET   11  24.02 +/- 5.89  21.090% * 12.0587% (0.53   0.02   0.02) =  15.008%  kept
          QG    LYS+  81 - HN    MET   11  31.61 +/- 7.03   7.575% * 19.1444% (0.84   0.02   0.02) =   8.558%  kept
          HG2   LYS+ 106 - HN    MET   11  34.45 +/- 5.27   5.970% * 17.5161% (0.76   0.02   0.02) =   6.171%  kept
          HG    LEU  104 - HN    MET   11  30.37 +/- 5.52  11.316% *  8.6021% (0.38   0.02   0.02) =   5.745%  kept
          HB3   LYS+ 121 - HN    MET   11  34.77 +/- 5.37   6.733% *  8.6021% (0.38   0.02   0.02) =   3.418%  kept
          HB3   LYS+ 111 - HN    MET   11  39.32 +/- 5.68   4.180% * 11.1564% (0.49   0.02   0.02) =   2.752%  kept
    Distance limit 4.37 A violated in 20 structures by 11.14 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   3.98 +/- 0.49  80.120% * 97.8382% (0.72   3.58  11.87) =  99.876%  kept
          HB2   GLU-  14 - HN    ALA   12   8.16 +/- 1.18  15.503% *  0.5450% (0.72   0.02   0.02) =   0.108%  kept
          HG2   PRO   58 - HN    ALA   12  30.68 +/- 6.00   1.401% *  0.5354% (0.71   0.02   0.02) =   0.010%
          HB2   PRO   68 - HN    ALA   12  21.52 +/- 4.67   1.135% *  0.1519% (0.20   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  34.98 +/- 6.80   0.310% *  0.5354% (0.71   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    ALA   12  33.44 +/- 7.44   1.133% *  0.0957% (0.13   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  31.97 +/- 3.75   0.199% *  0.2246% (0.30   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ALA   12  34.03 +/- 5.12   0.198% *  0.0739% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.5:
      O   QB    ALA   12 - HN    ALA   12   2.72 +/- 0.24  95.850% * 99.1918% (0.68  10.0   2.29  12.48) =  99.996%  kept
          HG3   LYS+  33 - HN    ALA   12  15.59 +/- 4.34   1.645% *  0.0992% (0.68   1.0   0.02   0.02) =   0.002%
          HB3   LEU   73 - HN    ALA   12  20.17 +/- 4.64   0.477% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.02 +/- 5.28   0.411% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  22.80 +/- 4.82   0.293% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  20.68 +/- 4.81   0.444% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  22.95 +/- 3.92   0.214% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.49 +/- 7.30   0.194% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.18 +/- 6.19   0.086% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.28 +/- 5.03   0.088% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  29.67 +/- 7.07   0.139% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.47 +/- 5.37   0.085% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.71 +/- 3.74   0.073% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 5.17:
          QB    ALA   12 - HN    SER   13   2.68 +/- 0.65  93.316% * 91.5357% (0.95   1.76   5.17) =  99.933%  kept
          HG3   LYS+  33 - HN    SER   13  13.90 +/- 3.43   2.340% *  1.0389% (0.95   0.02   0.02) =   0.028%
          HB3   LEU   73 - HN    SER   13  18.27 +/- 4.16   0.873% *  0.9173% (0.84   0.02   0.02) =   0.009%
          QB    LEU   98 - HN    SER   13  21.42 +/- 4.75   0.877% *  0.7975% (0.73   0.02   0.02) =   0.008%
          HB    VAL   42 - HN    SER   13  20.91 +/- 3.45   0.473% *  0.9849% (0.90   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    SER   13  20.82 +/- 4.17   0.444% *  0.9849% (0.90   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    SER   13  18.87 +/- 4.48   0.688% *  0.4924% (0.45   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HN    SER   13  28.87 +/- 6.58   0.293% *  0.8794% (0.80   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   13  29.43 +/- 4.65   0.154% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  33.38 +/- 5.14   0.103% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  28.07 +/- 6.43   0.232% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    SER   13  29.54 +/- 4.54   0.100% *  0.4515% (0.41   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  29.86 +/- 3.40   0.108% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.45, support = 2.47, residual support = 6.63:
          QB    SER   13 - HN    GLU-  14   3.06 +/- 0.79  89.637% * 95.5766% (0.45   2.47   6.64) =  99.888%  kept
          HB3   SER   37 - HN    GLU-  14  11.73 +/- 3.35   6.367% *  0.9996% (0.58   0.02   0.02) =   0.074%
          HB    THR   39 - HN    GLU-  14  13.06 +/- 3.45   3.357% *  0.8220% (0.48   0.02   0.02) =   0.032%
          HB    THR  118 - HN    GLU-  14  27.82 +/- 3.30   0.183% *  1.1941% (0.70   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    GLU-  14  29.81 +/- 4.15   0.203% *  0.9996% (0.58   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    GLU-  14  28.99 +/- 6.56   0.253% *  0.4082% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.74 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 = 0.518, support = 3.79, residual support = 39.6:
          QG    GLU-  14 - HN    GLU-  14   3.43 +/- 0.66  63.973% * 68.4388% (0.53   4.03  45.28) =  87.041%  kept
          QG    GLU-  15 - HN    GLU-  14   5.38 +/- 0.87  22.203% * 29.2392% (0.42   2.17   1.56) =  12.906%  kept
          HB2   GLU-  29 - HN    GLU-  14  14.78 +/- 3.85   3.585% *  0.3224% (0.51   0.02   0.02) =   0.023%
          QB    MET   11 - HN    GLU-  14   7.67 +/- 1.01   7.903% *  0.0879% (0.14   0.02   0.02) =   0.014%
          HB3   PHE   72 - HN    GLU-  14  15.13 +/- 2.66   1.150% *  0.3709% (0.58   0.02   0.02) =   0.008%
          HB2   ASP-  44 - HN    GLU-  14  20.31 +/- 3.04   0.439% *  0.3224% (0.51   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    GLU-  14  26.51 +/- 3.33   0.200% *  0.4401% (0.69   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    GLU-  14  28.30 +/- 3.94   0.163% *  0.3982% (0.62   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  14  31.04 +/- 3.63   0.121% *  0.2693% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  26.27 +/- 4.13   0.263% *  0.1107% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 3.86, residual support = 45.3:
      O   HB2   GLU-  14 - HN    GLU-  14   3.30 +/- 0.62  91.985% * 99.6047% (0.70  10.0   3.86  45.28) =  99.993%  kept
          HG2   MET   11 - HN    GLU-  14   9.59 +/- 0.98   5.185% *  0.0998% (0.70   1.0   0.02   0.02) =   0.006%
          HB2   PRO   68 - HN    GLU-  14  17.50 +/- 4.29   1.479% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  26.06 +/- 4.39   0.393% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.73 +/- 5.49   0.246% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  27.52 +/- 3.15   0.200% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  29.26 +/- 5.58   0.275% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.36 +/- 4.58   0.236% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.86, residual support = 45.3:
      O   HB3   GLU-  14 - HN    GLU-  14   3.37 +/- 0.39  93.294% * 99.6986% (0.62  10.0   3.86  45.28) =  99.994%  kept
          HG3   MET   11 - HN    GLU-  14  10.04 +/- 1.05   4.092% *  0.0807% (0.51   1.0   0.02   0.02) =   0.004%
          HB2   LEU   40 - HN    GLU-  14  16.53 +/- 3.25   1.697% *  0.0850% (0.53   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    GLU-  14  22.95 +/- 4.43   0.545% *  0.1109% (0.70   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    GLU-  14  29.45 +/- 5.55   0.372% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 84.4:
          QG    GLN   17 - HN    GLN   17   3.22 +/- 0.72  88.945% * 98.8356% (1.00   5.60  84.39) =  99.971%  kept
          HB    VAL   70 - HN    GLN   17  10.52 +/- 3.28   4.843% *  0.3465% (0.98   0.02   0.02) =   0.019%
          HB2   GLU-  25 - HN    GLN   17  17.83 +/- 2.38   0.894% *  0.3504% (0.99   0.02   0.02) =   0.004%
          HB2   MET   96 - HN    GLN   17  17.93 +/- 4.44   1.035% *  0.2287% (0.65   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    GLN   17  13.86 +/- 2.72   1.991% *  0.0983% (0.28   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    GLN   17  17.64 +/- 4.71   1.465% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  18.02 +/- 3.91   0.827% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.922, support = 5.3, residual support = 80.6:
      O   HB2   GLN   17 - HN    GLN   17   3.21 +/- 0.56  53.729% * 89.3335% (0.92  10.0   5.48  84.39) =  95.457%  kept
          QB    GLU-  15 - HN    GLN   17   4.23 +/- 0.54  27.442% *  7.6210% (0.92   1.0   1.71   0.02) =   4.159%  kept
          HB    ILE   19 - HN    GLN   17   6.97 +/- 1.24   9.048% *  1.6326% (0.80   1.0   0.42   0.02) =   0.294%  kept
          HB3   PRO   68 - HN    GLN   17  12.96 +/- 4.68   4.032% *  1.0567% (0.57   1.0   0.39   0.02) =   0.085%
          HG2   PRO   68 - HN    GLN   17  13.08 +/- 3.81   1.769% *  0.0703% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLN   17   9.60 +/- 1.58   3.214% *  0.0215% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN   17  18.50 +/- 2.35   0.380% *  0.0966% (1.00   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  23.59 +/- 3.66   0.224% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  27.41 +/- 4.32   0.161% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.27, residual support = 84.4:
      O   HB3   GLN   17 - HN    GLN   17   3.04 +/- 0.48  67.078% * 99.6298% (0.98  10.0   5.27  84.39) =  99.966%  kept
          HB2   LEU   71 - HN    GLN   17   8.08 +/- 5.81  23.137% *  0.0777% (0.76   1.0   0.02   0.02) =   0.027%
          QB    LYS+  65 - HN    GLN   17  11.90 +/- 4.18   4.440% *  0.0738% (0.73   1.0   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    GLN   17  19.65 +/- 4.80   1.083% *  0.0616% (0.61   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  12.45 +/- 3.15   2.221% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HN    GLN   17  17.21 +/- 4.72   0.800% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.57 +/- 4.59   0.888% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  23.80 +/- 3.35   0.181% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  25.05 +/- 4.48   0.170% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 2.13, residual support = 7.89:
          QB    GLU-  15 - HN    GLY   16   2.62 +/- 0.64  74.884% * 39.4976% (0.98   1.94   5.56) =  79.985%  kept
          HB2   GLN   17 - HN    GLY   16   5.50 +/- 0.64  12.652% * 58.2973% (0.98   2.87  17.24) =  19.946%  kept
          HB    ILE   19 - HN    GLY   16   8.05 +/- 1.30   4.204% *  0.2303% (0.55   0.02   0.02) =   0.026%
          HB3   PRO   68 - HN    GLY   16  13.87 +/- 5.09   1.841% *  0.3257% (0.78   0.02   0.02) =   0.016%
          HG3   GLN   30 - HN    GLY   16  10.07 +/- 1.61   1.937% *  0.1672% (0.40   0.02   0.02) =   0.009%
          HG2   PRO   68 - HN    GLY   16  13.96 +/- 4.29   1.167% *  0.1980% (0.47   0.02   0.02) =   0.006%
          HB2   GLN   30 - HN    GLY   16  10.78 +/- 1.86   2.046% *  0.0712% (0.17   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLY   16  19.15 +/- 2.14   0.355% *  0.3847% (0.92   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    GLY   16  17.46 +/- 5.02   0.503% *  0.0906% (0.22   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLY   16  28.51 +/- 4.35   0.108% *  0.4031% (0.97   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLY   16  24.49 +/- 3.63   0.143% *  0.2631% (0.63   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  23.53 +/- 3.39   0.160% *  0.0712% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.7, support = 5.8, residual support = 49.7:
          QG    GLN   17 - HN    VAL   18   3.07 +/- 0.74  82.878% * 98.7492% (0.70   5.80  49.74) =  99.951%  kept
          HB    VAL   70 - HN    VAL   18   9.18 +/- 3.40   5.904% *  0.3033% (0.62   0.02   0.02) =   0.022%
          HB2   GLU-  25 - HN    VAL   18  17.10 +/- 3.06   1.891% *  0.3916% (0.81   0.02   0.02) =   0.009%
          HG3   GLU-  29 - HN    VAL   18  15.99 +/- 4.08   5.590% *  0.1169% (0.24   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    VAL   18  16.29 +/- 2.42   1.916% *  0.3221% (0.66   0.02   0.02) =   0.008%
          HB2   MET   96 - HN    VAL   18  16.17 +/- 4.61   1.820% *  0.1169% (0.24   0.02   0.02) =   0.003%
    Distance limit 4.43 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 = 0.698, support = 4.97, residual support = 76.7:
      O   HB    VAL   18 - HN    VAL   18   2.68 +/- 0.50  79.663% * 93.7519% (0.70  10.0   4.97  77.03) =  99.333%  kept
          HB    ILE   19 - HN    VAL   18   6.51 +/- 0.66   8.488% *  5.7683% (0.21   1.0   4.01  22.73) =   0.651%  kept
          HB2   LEU   67 - HN    VAL   18   9.17 +/- 3.84   7.493% *  0.1221% (0.91   1.0   0.02   0.02) =   0.012%
          HG2   PRO   68 - HN    VAL   18  11.88 +/- 3.76   2.613% *  0.0359% (0.27   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    VAL   18  18.24 +/- 4.07   0.682% *  0.1192% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  19.84 +/- 3.72   0.400% *  0.1221% (0.91   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    VAL   18  21.35 +/- 3.87   0.305% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  21.09 +/- 3.80   0.355% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.355, support = 5.21, residual support = 47.3:
          HB3   GLN   17 - HN    VAL   18   3.31 +/- 0.68  53.371% * 82.0906% (0.33   5.46  49.74) =  95.013%  kept
          QB    LYS+  65 - HN    VAL   18   9.00 +/- 4.55  15.911% * 13.2475% (0.87   0.34   0.02) =   4.571%  kept
          HB    VAL   41 - HN    VAL   18  11.86 +/- 5.40  17.047% *  0.5700% (0.62   0.02   0.02) =   0.211%  kept
          HB2   LEU   71 - HN    VAL   18   9.17 +/- 5.20   6.621% *  0.7643% (0.84   0.02   0.02) =   0.110%  kept
          QB    LYS+  66 - HN    VAL   18   9.90 +/- 3.35   4.257% *  0.7359% (0.81   0.02   1.29) =   0.068%
          QB    LYS+ 102 - HN    VAL   18  19.94 +/- 4.41   0.448% *  0.8503% (0.93   0.02   0.02) =   0.008%
          HG12  ILE  103 - HN    VAL   18  18.40 +/- 5.06   0.798% *  0.4289% (0.47   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    VAL   18  20.47 +/- 3.71   0.320% *  0.8733% (0.96   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    VAL   18  20.94 +/- 4.56   0.713% *  0.2197% (0.24   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   18  22.26 +/- 3.67   0.513% *  0.2197% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.896, support = 5.28, residual support = 74.8:
          QG2   VAL   18 - HN    VAL   18   2.55 +/- 0.80  63.490% * 72.7319% (0.91   5.36  77.03) =  95.929%  kept
          QD1   ILE   19 - HN    VAL   18   6.41 +/- 0.67   7.251% * 26.1809% (0.51   3.47  22.73) =   3.943%  kept
          QG1   VAL   41 - HN    VAL   18  10.34 +/- 4.30  17.674% *  0.2649% (0.89   0.02   0.02) =   0.097%
          QG1   VAL   43 - HN    VAL   18  11.60 +/- 4.20   1.964% *  0.2863% (0.96   0.02   0.02) =   0.012%
          QD2   LEU   73 - HN    VAL   18   7.75 +/- 2.96   6.708% *  0.0716% (0.24   0.02   0.62) =   0.010%
          QG2   THR   46 - HN    VAL   18  12.78 +/- 3.17   0.860% *  0.2489% (0.84   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    VAL   18  13.13 +/- 2.53   1.286% *  0.1077% (0.36   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   18  15.36 +/- 3.78   0.767% *  0.1077% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.74:
          QB    ALA   64 - HN    VAL   18   6.38 +/- 3.79  83.953% * 99.8613% (0.84   2.25   8.74) =  99.973%  kept
          QD1   LEU  115 - HN    VAL   18  15.62 +/- 3.08  16.047% *  0.1387% (0.13   0.02   0.02) =   0.027%
    Distance limit 4.34 A violated in 8 structures by 2.40 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.412, support = 4.04, residual support = 19.5:
          HN    PHE   59 - HN    PHE   60   2.76 +/- 0.18  57.565% * 57.4850% (0.44   4.32  20.21) =  86.699%  kept
          QE    PHE   59 - HN    PHE   60   5.93 +/- 1.25  14.854% * 15.7630% (0.28   1.85  20.21) =   6.135%  kept
          QE    PHE   59 - HN    THR  118   4.25 +/- 0.51  17.926% * 13.0566% (0.16   2.71  12.36) =   6.132%  kept
          HN    HIS  122 - HN    THR  118   7.11 +/- 0.24   3.505% * 10.9610% (0.21   1.72   3.06) =   1.007%  kept
          HN    HIS  122 - HN    PHE   60  10.99 +/- 1.04   1.007% *  0.2253% (0.37   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    THR  118   9.61 +/- 0.70   1.428% *  0.1504% (0.25   0.02  12.36) =   0.006%
          HH2   TRP   87 - HN    GLU-  15  24.25 +/- 7.50   0.475% *  0.4377% (0.73   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    GLU-  15  22.60 +/- 3.40   0.156% *  0.5702% (0.95   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    PHE   60   9.65 +/- 1.13   1.608% *  0.0493% (0.08   0.02   0.02) =   0.002%
          HN    HIS  122 - HN    GLU-  15  25.08 +/- 3.84   0.109% *  0.4827% (0.80   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    GLU-  15  15.85 +/- 3.37   0.458% *  0.1056% (0.18   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    GLU-  15  21.75 +/- 1.98   0.132% *  0.3656% (0.61   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  19.78 +/- 2.73   0.189% *  0.2043% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  19.53 +/- 3.87   0.225% *  0.1154% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  16.08 +/- 2.42   0.363% *  0.0278% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.26, residual support = 41.3:
          HN    ALA   61 - HN    PHE   60   2.76 +/- 0.25  90.285% * 95.0081% (0.47   5.26  41.30) =  99.970%  kept
          HN    TRP   27 - HN    GLU-  15  15.84 +/- 2.28   0.873% *  0.5917% (0.76   0.02   0.02) =   0.006%
          HN    THR   39 - HN    GLU-  15  12.25 +/- 2.99   2.531% *  0.1532% (0.20   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    GLU-  15  19.10 +/- 3.30   0.385% *  0.7742% (1.00   0.02   0.02) =   0.003%
          HE3   TRP   87 - HN    GLU-  15  26.20 +/- 6.70   0.417% *  0.6716% (0.87   0.02   0.02) =   0.003%
          HN    ALA   61 - HN    THR  118  12.01 +/- 1.14   1.182% *  0.2042% (0.26   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    PHE   60  17.20 +/- 2.51   0.479% *  0.3581% (0.46   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    PHE   60  18.73 +/- 3.87   0.517% *  0.2761% (0.36   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    THR  118  16.83 +/- 2.95   0.636% *  0.2024% (0.26   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    PHE   60  19.49 +/- 2.28   0.312% *  0.3134% (0.40   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  18.48 +/- 4.04   0.483% *  0.1771% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  29.23 +/- 3.71   0.090% *  0.7673% (0.99   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  23.43 +/- 4.26   0.347% *  0.1560% (0.20   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    GLU-  15  25.88 +/- 5.41   0.213% *  0.1356% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.78 +/- 2.48   0.321% *  0.0715% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  18.51 +/- 2.00   0.351% *  0.0633% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.95 +/- 2.73   0.391% *  0.0358% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  23.46 +/- 3.58   0.187% *  0.0404% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.92, residual support = 72.4:
      O   HB3   PHE   60 - HN    PHE   60   2.58 +/- 0.48  85.752% * 98.9222% (0.47  10.0   4.92  72.39) =  99.989%  kept
          HB3   PHE   60 - HN    THR  118  11.69 +/- 2.61   2.732% *  0.0559% (0.26   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HN    PHE   60  16.32 +/- 3.36   1.455% *  0.0936% (0.44   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    GLU-  15  15.47 +/- 4.06   1.942% *  0.0529% (0.25   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  12.54 +/- 4.76   1.883% *  0.0529% (0.25   1.0   0.02   3.25) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  15.13 +/- 1.92   0.806% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  20.07 +/- 3.22   0.334% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  12.55 +/- 5.12   2.085% *  0.0294% (0.14   1.0   0.02   1.86) =   0.001%
          QE    LYS+ 106 - HN    GLU-  15  23.40 +/- 4.30   0.282% *  0.2005% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  16.29 +/- 3.45   1.069% *  0.0482% (0.23   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    PHE   60  14.80 +/- 3.22   0.729% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  21.45 +/- 3.62   0.305% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.09 +/- 3.61   0.328% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.89 +/- 2.85   0.181% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  26.80 +/- 3.86   0.118% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.02, residual support = 20.2:
          HB3   PHE   59 - HN    PHE   60   3.50 +/- 0.49  88.084% * 96.9824% (0.39   4.03  20.21) =  99.954%  kept
          HB3   PHE   59 - HN    THR  118   8.31 +/- 0.92   8.018% *  0.2723% (0.22   0.02  12.36) =   0.026%
          HB3   TRP   49 - HN    PHE   60  15.54 +/- 2.42   1.302% *  0.4619% (0.37   0.02   0.02) =   0.007%
          HB3   TRP   49 - HN    THR  118  20.41 +/- 3.90   1.923% *  0.2610% (0.21   0.02   0.02) =   0.006%
          HB3   PHE   59 - HN    GLU-  15  22.44 +/- 2.78   0.395% *  1.0325% (0.84   0.02   0.02) =   0.005%
          HB3   TRP   49 - HN    GLU-  15  28.26 +/- 5.58   0.278% *  0.9898% (0.80   0.02   0.02) =   0.003%
    Distance limit 3.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.74, residual support = 5.06:
        T HN    SER  117 - HN    THR  118   2.76 +/- 0.13  97.247% * 97.7507% (0.17 10.00   2.74   5.07) =  99.967%  kept
        T HN    SER  117 - HN    PHE   60  11.33 +/- 1.25   1.694% *  1.7701% (0.30 10.00   0.02   0.02) =   0.032%
          HN    GLY   16 - HN    PHE   60  18.87 +/- 2.76   0.414% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  21.71 +/- 2.85   0.248% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  24.35 +/- 2.99   0.168% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  23.81 +/- 2.96   0.229% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.132, support = 4.53, residual support = 40.6:
          QG2   THR  118 - HN    THR  118   3.45 +/- 0.21  86.259% * 84.4207% (0.13   4.65  41.81) =  97.144%  kept
          QG2   THR  118 - HN    PHE   60   7.38 +/- 1.23  13.741% * 15.5793% (0.23   0.47   0.02) =   2.856%  kept
    Distance limit 4.12 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 = 0.157, support = 4.47, residual support = 60.5:
      O   HA    PHE   60 - HN    PHE   60   2.76 +/- 0.10  21.775% * 79.4220% (0.22  10.0   4.92  72.39) =  62.995%  kept
      O   HB    THR  118 - HN    THR  118   2.06 +/- 0.07  51.735% * 18.8503% (0.05  10.0   3.74  41.81) =  35.523%  kept
          QB    SER  117 - HN    THR  118   2.69 +/- 0.28  24.915% *  1.6308% (0.03   1.0   3.12   5.07) =   1.480%  kept
          HB    THR  118 - HN    PHE   60   9.53 +/- 1.47   0.719% *  0.0341% (0.09   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    THR  118  10.85 +/- 2.06   0.534% *  0.0439% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  11.70 +/- 1.18   0.322% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 4.62, residual support = 42.5:
      O   HA    THR  118 - HN    THR  118   2.85 +/- 0.03  62.812% * 70.9337% (0.14  10.0   4.60  41.81) =  93.585%  kept
          HA    ILE  119 - HN    THR  118   5.05 +/- 0.10  11.396% * 22.8878% (0.17   1.0   5.50  60.76) =   5.479%  kept
          HD3   PRO   58 - HN    PHE   60   4.86 +/- 0.50  14.415% *  2.5313% (0.06   1.0   1.72   0.02) =   0.766%  kept
          HA    ILE  119 - HN    PHE   60   8.22 +/- 0.78   2.878% *  2.4253% (0.30   1.0   0.32   0.02) =   0.147%  kept
          HA    THR  118 - HN    PHE   60  11.40 +/- 1.20   1.146% *  0.6040% (0.26   1.0   0.09   0.02) =   0.015%
          HB2   TRP   49 - HN    PHE   60  15.19 +/- 2.30   0.855% *  0.1404% (0.28   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    THR  118  11.35 +/- 2.68   2.266% *  0.0416% (0.08   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    PHE   60  12.54 +/- 2.59   1.085% *  0.0631% (0.13   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  15.43 +/- 2.04   0.479% *  0.0754% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    THR  118  20.26 +/- 3.65   0.449% *  0.0775% (0.16   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  18.33 +/- 1.85   0.264% *  0.1087% (0.22   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  11.23 +/- 1.34   1.241% *  0.0163% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  17.04 +/- 2.92   0.476% *  0.0348% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  19.24 +/- 2.29   0.238% *  0.0600% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.0, residual support = 20.2:
      O   HA    PHE   59 - HN    PHE   60   3.52 +/- 0.11  60.013% * 98.9248% (0.99  10.0   4.01  20.21) =  99.820%  kept
          HA    ILE   56 - HN    PHE   60   6.02 +/- 1.01  17.066% *  0.5737% (0.15   1.0   0.75   4.15) =   0.165%  kept
          HA    ASP- 113 - HN    THR  118   7.33 +/- 0.82   7.868% *  0.0485% (0.48   1.0   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    THR  118   9.04 +/- 0.66   3.689% *  0.0797% (0.80   1.0   0.02  12.36) =   0.005%
          HA    ASP- 113 - HN    PHE   60  12.58 +/- 1.64   1.657% *  0.0601% (0.60   1.0   0.02   0.02) =   0.002%
          HA    ILE   56 - HN    THR  118  10.67 +/- 1.20   2.438% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    THR  118  19.66 +/- 3.97   0.481% *  0.0485% (0.48   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  20.59 +/- 1.84   0.327% *  0.0601% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  14.53 +/- 3.36   2.629% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  21.39 +/- 2.95   0.361% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.28 +/- 4.58   1.225% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  18.91 +/- 4.55   0.603% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.88 +/- 2.83   0.460% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  28.04 +/- 6.11   0.344% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.15 +/- 2.90   0.292% *  0.0174% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  25.21 +/- 3.69   0.203% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  30.51 +/- 3.83   0.118% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  25.83 +/- 3.74   0.226% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.921, support = 4.81, residual support = 68.4:
      O   HA    PHE   60 - HN    PHE   60   2.76 +/- 0.10  44.873% * 94.2121% (0.96  10.0   4.92  72.39) =  94.075%  kept
          QB    SER  117 - HN    THR  118   2.69 +/- 0.28  48.388% *  5.4987% (0.36   1.0   3.12   5.07) =   5.921%  kept
          HA    PHE   60 - HN    THR  118  10.85 +/- 2.06   1.207% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    THR  118   7.63 +/- 0.54   2.310% *  0.0138% (0.14   1.0   0.02   5.42) =   0.001%
          QB    SER  117 - HN    PHE   60  11.70 +/- 1.18   0.688% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   60  13.04 +/- 1.40   0.482% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  13.19 +/- 2.58   0.568% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.79 +/- 1.01   0.371% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  19.80 +/- 2.87   0.165% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.59 +/- 2.53   0.442% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  18.07 +/- 2.30   0.232% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  25.95 +/- 3.06   0.063% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.86 +/- 4.66   0.059% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  26.72 +/- 4.14   0.068% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.37 +/- 3.27   0.085% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.537, support = 3.91, residual support = 32.0:
          HG12  ILE  119 - HN    THR  118   4.40 +/- 0.54  13.255% * 54.9456% (0.72   5.44  60.76) =  47.873%  kept
          QG    GLU-  15 - HN    GLU-  15   3.33 +/- 0.86  31.701% * 11.8192% (0.32   2.66  10.23) =  24.629%  kept
          QG    GLU-  14 - HN    GLU-  15   3.62 +/- 0.71  26.062% * 13.7562% (0.36   2.68   1.56) =  23.566%  kept
          HG12  ILE  119 - HN    PHE   60   6.92 +/- 0.80   3.762% *  7.1841% (0.89   0.57   0.02) =   1.776%  kept
          HB2   ASP-  44 - HN    PHE   60   8.60 +/- 2.13   5.364% *  3.9858% (0.89   0.32   2.08) =   1.405%  kept
          HB2   ASP- 105 - HN    THR  118  10.02 +/- 6.15   6.315% *  1.1425% (0.11   0.75   4.19) =   0.474%  kept
          HB3   PHE   72 - HN    PHE   60  12.16 +/- 1.73   0.734% *  4.1216% (0.96   0.31   6.67) =   0.199%  kept
          HB2   GLU-  29 - HN    GLU-  15  14.94 +/- 3.58   6.508% *  0.0584% (0.21   0.02   0.02) =   0.025%
          HB2   ASP-  44 - HN    THR  118  13.20 +/- 2.29   0.693% *  0.2019% (0.72   0.02   0.02) =   0.009%
          QG    GLN   90 - HN    PHE   60  17.61 +/- 2.61   0.301% *  0.2769% (0.98   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    THR  118  16.84 +/- 2.74   0.321% *  0.2173% (0.77   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    GLU-  15  13.26 +/- 2.53   0.615% *  0.1072% (0.38   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    THR  118  17.44 +/- 2.43   0.257% *  0.2231% (0.79   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    PHE   60  15.61 +/- 3.36   0.465% *  0.1148% (0.41   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    PHE   60  19.96 +/- 3.76   0.190% *  0.2579% (0.91   0.02   0.02) =   0.003%
          QB    MET   11 - HN    GLU-  15  10.13 +/- 1.14   1.272% *  0.0379% (0.13   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    PHE   60  18.89 +/- 2.55   0.214% *  0.2237% (0.79   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    THR  118  15.74 +/- 3.77   0.384% *  0.0926% (0.33   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  15  18.54 +/- 2.78   0.219% *  0.0996% (0.35   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    PHE   60  22.36 +/- 3.63   0.142% *  0.1470% (0.52   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    PHE   60  14.72 +/- 3.41   0.490% *  0.0378% (0.13   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    THR  118  23.65 +/- 2.86   0.102% *  0.1803% (0.64   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    THR  118  25.37 +/- 2.83   0.075% *  0.2078% (0.74   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  25.71 +/- 4.82   0.119% *  0.0953% (0.34   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  24.55 +/- 2.92   0.100% *  0.0996% (0.35   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  26.98 +/- 4.00   0.075% *  0.1101% (0.39   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR  118  26.70 +/- 4.25   0.068% *  0.1184% (0.42   0.02   0.02) =   0.001%
          QB    MET   11 - HN    THR  118  30.76 +/- 4.74   0.051% *  0.0768% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.56 +/- 3.44   0.046% *  0.0457% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  24.35 +/- 3.50   0.099% *  0.0150% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.147, support = 1.72, residual support = 8.83:
      O   QB    GLU-  15 - HN    GLU-  15   2.96 +/- 0.25  49.665% * 44.0163% (0.06  10.0   1.87  10.23) =  86.299%  kept
          HG3   PRO   58 - HN    PHE   60   6.29 +/- 0.27   5.577% * 30.8659% (0.89   1.0   0.90   0.02) =   6.796%  kept
          QB    GLU- 114 - HN    THR  118   5.66 +/- 0.87   9.592% * 15.7653% (0.48   1.0   0.84   0.02) =   5.970%  kept
          HB2   LEU  115 - HN    THR  118   5.73 +/- 0.36   7.607% *  2.2850% (0.69   1.0   0.09   0.10) =   0.686%  kept
          HB2   LEU  115 - HN    PHE   60   8.84 +/- 1.52   2.642% *  0.6670% (0.86   1.0   0.02   0.02) =   0.070%
          HG3   PRO   58 - HN    THR  118  11.75 +/- 2.09   1.134% *  0.5558% (0.72   1.0   0.02   0.02) =   0.025%
          HB    ILE   19 - HN    GLU-  15   9.55 +/- 1.96   2.498% *  0.2101% (0.27   1.0   0.02   0.02) =   0.021%
          HB2   GLN   17 - HN    GLU-  15   5.81 +/- 1.21  10.703% *  0.0472% (0.06   1.0   0.02   0.02) =   0.020%
          HG2   PRO   68 - HN    PHE   60  14.43 +/- 3.26   0.808% *  0.5877% (0.76   1.0   0.02   0.02) =   0.019%
          HB2   LEU   67 - HN    PHE   60  11.89 +/- 1.84   1.170% *  0.3743% (0.48   1.0   0.02   0.02) =   0.017%
          QB    GLU- 114 - HN    PHE   60  12.32 +/- 1.40   0.793% *  0.4664% (0.60   1.0   0.02   0.02) =   0.015%
          HB    VAL   18 - HN    PHE   60  13.03 +/- 3.65   1.412% *  0.1917% (0.25   1.0   0.02   1.09) =   0.011%
          HB    ILE   19 - HN    PHE   60  15.70 +/- 2.74   0.472% *  0.5282% (0.68   1.0   0.02   0.02) =   0.010%
          HG2   PRO   68 - HN    THR  118  19.06 +/- 4.26   0.350% *  0.4736% (0.61   1.0   0.02   0.02) =   0.007%
          HG2   PRO   68 - HN    GLU-  15  15.68 +/- 3.91   0.653% *  0.2337% (0.30   1.0   0.02   0.02) =   0.006%
          HB2   LEU   67 - HN    THR  118  17.45 +/- 3.55   0.503% *  0.3017% (0.39   1.0   0.02   0.02) =   0.006%
          HB    ILE   19 - HN    THR  118  21.51 +/- 3.71   0.258% *  0.4257% (0.55   1.0   0.02   0.02) =   0.004%
          HB    VAL   18 - HN    GLU-  15  10.38 +/- 0.94   1.326% *  0.0763% (0.10   1.0   0.02   0.02) =   0.004%
          HB2   LEU   67 - HN    GLU-  15  14.57 +/- 3.19   0.617% *  0.1489% (0.19   1.0   0.02   0.02) =   0.004%
          HB2   GLN   17 - HN    PHE   60  16.29 +/- 3.35   0.528% *  0.1186% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    THR  118  27.21 +/- 5.01   0.270% *  0.1723% (0.22   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLU-  15  24.41 +/- 4.53   0.151% *  0.2743% (0.35   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    PHE   60  23.05 +/- 4.23   0.168% *  0.2138% (0.28   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    THR  118  19.31 +/- 3.33   0.230% *  0.1545% (0.20   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   60  19.15 +/- 2.39   0.214% *  0.1186% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLU-  15  19.80 +/- 2.92   0.259% *  0.0850% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  26.72 +/- 3.28   0.082% *  0.2653% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  26.91 +/- 3.32   0.076% *  0.1855% (0.24   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  22.78 +/- 3.70   0.134% *  0.0956% (0.12   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  24.00 +/- 2.77   0.104% *  0.0956% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.105, support = 2.07, residual support = 3.99:
          QG1   ILE   56 - HN    PHE   60   3.85 +/- 1.08  43.804% * 44.8652% (0.09   2.16   4.15) =  96.000%  kept
          QD    LYS+  99 - HN    GLU-  15  17.22 +/- 4.72   2.896% *  3.6037% (0.80   0.02   0.02) =   0.510%  kept
          HB2   LEU   73 - HN    GLU-  15  14.11 +/- 4.00   2.219% *  4.3433% (0.97   0.02   0.02) =   0.471%  kept
          HB2   LEU   73 - HN    PHE   60  14.05 +/- 2.97   3.293% *  2.0271% (0.45   0.02   0.85) =   0.326%  kept
          HB3   MET   92 - HN    PHE   60  14.20 +/- 3.03   2.959% *  2.1004% (0.47   0.02   0.02) =   0.304%  kept
          HG3   PRO   93 - HN    PHE   60  11.70 +/- 3.14   3.731% *  1.6052% (0.36   0.02   0.02) =   0.293%  kept
          QD    LYS+ 106 - HN    PHE   60  15.44 +/- 3.66   2.736% *  1.7544% (0.39   0.02   0.02) =   0.234%  kept
          HB2   LEU  123 - HN    THR  118   8.89 +/- 0.54   5.024% *  0.9504% (0.21   0.02   0.02) =   0.233%  kept
          QD    LYS+ 106 - HN    THR  118  12.08 +/- 4.77   3.941% *  0.9914% (0.22   0.02   3.25) =   0.191%  kept
          HG3   PRO   93 - HN    THR  118  12.19 +/- 2.97   4.017% *  0.9071% (0.20   0.02   0.02) =   0.178%  kept
          HD2   LYS+ 111 - HN    THR  118  11.50 +/- 1.46   2.649% *  1.1634% (0.26   0.02   0.02) =   0.151%  kept
          HB2   LEU  123 - HN    PHE   60  13.10 +/- 1.23   1.686% *  1.6819% (0.37   0.02   0.02) =   0.138%  kept
          HB3   MET   92 - HN    THR  118  14.55 +/- 3.28   2.312% *  1.1869% (0.26   0.02   0.02) =   0.134%  kept
          HD2   LYS+ 111 - HN    PHE   60  15.77 +/- 2.01   1.016% *  2.0588% (0.46   0.02   0.02) =   0.102%  kept
          QG1   ILE   56 - HN    THR  118   8.23 +/- 1.17   8.654% *  0.2349% (0.05   0.02   0.02) =   0.099%
          QD    LYS+  38 - HN    GLU-  15  14.67 +/- 2.86   2.027% *  1.0020% (0.22   0.02   0.02) =   0.099%
          HB2   LEU   73 - HN    THR  118  18.87 +/- 4.22   1.743% *  1.1455% (0.25   0.02   0.02) =   0.098%
          QD    LYS+ 106 - HN    GLU-  15  22.99 +/- 4.07   0.362% *  3.7592% (0.84   0.02   0.02) =   0.067%
          QD    LYS+ 102 - HN    GLU-  15  22.76 +/- 5.14   0.492% *  2.5480% (0.57   0.02   0.02) =   0.061%
          HB2   LEU  123 - HN    GLU-  15  27.19 +/- 4.86   0.319% *  3.6037% (0.80   0.02   0.02) =   0.056%
          QD    LYS+  99 - HN    PHE   60  17.53 +/- 3.01   0.599% *  1.6819% (0.37   0.02   0.02) =   0.049%
          QD    LYS+  99 - HN    THR  118  17.01 +/- 4.19   0.917% *  0.9504% (0.21   0.02   0.02) =   0.043%
          HB3   MET   92 - HN    GLU-  15  28.11 +/- 3.09   0.177% *  4.5005% (1.00   0.02   0.02) =   0.039%
          HG3   PRO   93 - HN    GLU-  15  27.48 +/- 2.66   0.176% *  3.4394% (0.76   0.02   0.02) =   0.030%
          HD2   LYS+ 111 - HN    GLU-  15  32.40 +/- 4.41   0.125% *  4.4114% (0.98   0.02   0.02) =   0.027%
          QD    LYS+ 102 - HN    THR  118  19.96 +/- 5.14   0.525% *  0.6720% (0.15   0.02   0.02) =   0.017%
          QG1   ILE   56 - HN    GLU-  15  21.80 +/- 2.65   0.365% *  0.8906% (0.20   0.02   0.02) =   0.016%
          QD    LYS+ 102 - HN    PHE   60  22.47 +/- 2.81   0.270% *  1.1892% (0.26   0.02   0.02) =   0.016%
          QD    LYS+  38 - HN    PHE   60  20.25 +/- 4.09   0.622% *  0.4676% (0.10   0.02   0.02) =   0.014%
          QD    LYS+  38 - HN    THR  118  22.75 +/- 4.10   0.342% *  0.2643% (0.06   0.02   0.02) =   0.004%
    Distance limit 4.33 A violated in 1 structures by 0.16 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.247, support = 2.63, residual support = 40.5:
          QB    ALA   61 - HN    PHE   60   4.32 +/- 0.21  35.636% * 72.7343% (0.25   2.69  41.30) =  98.061%  kept
          HG12  ILE   19 - HN    GLU-  15   8.71 +/- 2.16   6.818% *  1.8430% (0.84   0.02   0.02) =   0.475%  kept
          QB    ALA   12 - HN    GLU-  15   7.45 +/- 0.81   7.738% *  0.8281% (0.38   0.02   0.02) =   0.242%  kept
          HD3   LYS+ 121 - HN    THR  118   8.31 +/- 1.38   7.311% *  0.5372% (0.24   0.02   5.42) =   0.149%  kept
          QB    ALA  110 - HN    THR  118   9.16 +/- 1.79   7.701% *  0.4447% (0.20   0.02   0.02) =   0.130%  kept
          QB    ALA  110 - HN    PHE   60  11.59 +/- 2.80   3.416% *  0.7870% (0.36   0.02   0.02) =   0.102%  kept
          HB3   LYS+  74 - HN    PHE   60  12.83 +/- 3.36   2.800% *  0.9235% (0.42   0.02   0.02) =   0.098%
          HB3   LYS+  74 - HN    GLU-  15  15.28 +/- 3.82   1.185% *  1.9788% (0.90   0.02   0.02) =   0.089%
          QB    LEU   98 - HN    GLU-  15  17.43 +/- 4.09   1.596% *  1.4274% (0.65   0.02   0.02) =   0.086%
          QB    ALA   61 - HN    GLU-  15  14.85 +/- 3.38   1.856% *  1.1609% (0.53   0.02   0.02) =   0.082%
          HD3   LYS+ 121 - HN    PHE   60  13.07 +/- 1.53   1.526% *  0.9506% (0.43   0.02   0.02) =   0.055%
          HB3   LEU   67 - HN    GLU-  15  14.24 +/- 3.02   1.366% *  0.8281% (0.38   0.02   0.02) =   0.043%
          HB3   LEU   67 - HN    PHE   60  12.05 +/- 2.25   2.389% *  0.3865% (0.18   0.02   0.02) =   0.035%
          HG12  ILE   19 - HN    PHE   60  16.22 +/- 2.72   0.991% *  0.8601% (0.39   0.02   0.02) =   0.032%
          QG    LYS+  66 - HN    PHE   60   9.86 +/- 1.43   3.595% *  0.2293% (0.10   0.02   0.02) =   0.031%
          QB    ALA   61 - HN    THR  118  11.33 +/- 1.31   2.393% *  0.3062% (0.14   0.02   0.02) =   0.028%
          HB2   LEU   80 - HN    GLU-  15  24.63 +/- 5.77   0.288% *  2.1869% (0.99   0.02   0.02) =   0.024%
          HB2   LEU   80 - HN    PHE   60  18.54 +/- 3.45   0.617% *  1.0207% (0.46   0.02   0.02) =   0.024%
          HG    LEU   80 - HN    THR  118  21.71 +/- 4.52   1.443% *  0.4226% (0.19   0.02   0.02) =   0.023%
          QB    LEU   98 - HN    PHE   60  15.82 +/- 2.14   0.912% *  0.6662% (0.30   0.02   0.02) =   0.023%
          QG    LYS+  66 - HN    GLU-  15  15.39 +/- 3.06   1.148% *  0.4912% (0.22   0.02   0.02) =   0.021%
          HG    LEU   80 - HN    GLU-  15  24.14 +/- 6.46   0.332% *  1.6022% (0.73   0.02   0.02) =   0.020%
          HD3   LYS+ 121 - HN    GLU-  15  25.07 +/- 4.42   0.254% *  2.0368% (0.92   0.02   0.02) =   0.020%
          HG    LEU   80 - HN    PHE   60  18.69 +/- 4.18   0.660% *  0.7478% (0.34   0.02   0.02) =   0.019%
          QB    LEU   98 - HN    THR  118  15.54 +/- 3.71   1.228% *  0.3764% (0.17   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    GLU-  15  24.70 +/- 3.60   0.256% *  1.6862% (0.76   0.02   0.02) =   0.016%
          HB2   LEU   80 - HN    THR  118  21.17 +/- 3.49   0.704% *  0.5768% (0.26   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HN    THR  118  18.97 +/- 3.88   0.695% *  0.5219% (0.24   0.02   0.02) =   0.014%
          HB3   LEU   67 - HN    THR  118  17.84 +/- 3.76   0.865% *  0.2184% (0.10   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    THR  118  22.49 +/- 3.66   0.373% *  0.4861% (0.22   0.02   0.02) =   0.007%
          QG    LYS+  66 - HN    THR  118  15.09 +/- 3.43   1.383% *  0.1296% (0.06   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    PHE   60  22.67 +/- 3.59   0.369% *  0.3865% (0.18   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    THR  118  27.54 +/- 3.39   0.157% *  0.2184% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.69, residual support = 25.1:
      O   QB    ALA   34 - HN    ALA   34   2.05 +/- 0.07  85.332% * 97.8445% (0.89  10.0   3.69  25.13) =  99.917%  kept
          QG2   THR   77 - HN    LEU   80   6.30 +/- 1.19   4.346% *  1.4646% (0.20   1.0   1.35   0.59) =   0.076%
          QG2   THR   23 - HN    LEU   80  11.99 +/- 5.70   2.097% *  0.0969% (0.89   1.0   0.02   0.91) =   0.002%
          QG2   THR   39 - HN    ALA   34   6.39 +/- 1.34   5.347% *  0.0303% (0.28   1.0   0.02   4.63) =   0.002%
          HG3   LYS+  38 - HN    ALA   34   9.43 +/- 0.89   1.034% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.67 +/- 1.18   0.394% *  0.1081% (0.99   1.0   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   80  16.14 +/- 2.98   0.246% *  0.0710% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.99 +/- 2.94   0.198% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  11.83 +/- 1.64   0.523% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.47 +/- 2.42   0.103% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.74 +/- 1.51   0.143% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.74 +/- 1.92   0.126% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  22.42 +/- 1.70   0.070% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  27.02 +/- 2.33   0.041% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.56, support = 3.56, residual support = 25.7:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.02  72.425% * 77.5759% (0.56  10.0   3.50  25.13) =  95.457%  kept
          HA    LYS+  81 - HN    LEU   80   4.75 +/- 0.40  14.987% * 16.3819% (0.47   1.0   5.07  40.43) =   4.171%  kept
          HA    GLU-  36 - HN    ALA   34   7.00 +/- 0.10   4.396% *  4.8063% (0.41   1.0   1.71   0.34) =   0.359%  kept
          HA    ASN   28 - HN    ALA   34   7.92 +/- 0.27   3.074% *  0.1047% (0.76   1.0   0.02   0.02) =   0.005%
          HA    ALA  124 - HN    ALA   34  25.99 +/- 7.90   0.894% *  0.1265% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  16.63 +/- 5.90   0.832% *  0.0938% (0.68   1.0   0.02   1.22) =   0.001%
          HA1   GLY  101 - HN    ALA   34  14.05 +/- 4.64   1.148% *  0.0514% (0.37   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  19.59 +/- 4.64   0.459% *  0.1203% (0.88   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  19.43 +/- 3.06   0.434% *  0.0891% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU   80  29.09 +/- 5.34   0.206% *  0.1133% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.99 +/- 2.92   0.101% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.77 +/- 3.49   0.185% *  0.0695% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.86 +/- 2.35   0.126% *  0.0995% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  23.90 +/- 4.41   0.150% *  0.0721% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  22.27 +/- 3.54   0.253% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.12 +/- 3.39   0.153% *  0.0461% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.33 +/- 3.73   0.088% *  0.0505% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.96 +/- 2.64   0.089% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.958, support = 7.18, residual support = 39.9:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.03  37.893% * 88.4747% (0.99  10.0   7.34  42.05) =  94.843%  kept
          HA    GLN   32 - HN    ALA   34   4.31 +/- 0.27  22.136% *  7.1839% (0.34   1.0   4.72   0.67) =   4.499%  kept
          HB2   SER   82 - HN    LEU   80   7.19 +/- 0.90   6.320% *  2.1394% (0.85   1.0   0.57   0.33) =   0.382%  kept
          HA    GLU-  29 - HN    ALA   34   6.66 +/- 0.50   6.027% *  0.8963% (0.99   1.0   0.20   0.02) =   0.153%  kept
          HB2   SER   37 - HN    ALA   34   6.45 +/- 0.84   7.869% *  0.3849% (0.17   1.0   0.49   0.67) =   0.086%
          HA    VAL   18 - HN    ALA   34  11.00 +/- 1.98   8.621% *  0.0875% (0.98   1.0   0.02   0.02) =   0.021%
          HA    SER   48 - HN    LEU   80  13.02 +/- 5.39   5.051% *  0.0485% (0.54   1.0   0.02   0.02) =   0.007%
          HA    VAL   70 - HN    ALA   34  11.69 +/- 2.23   1.521% *  0.0715% (0.80   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    LEU   80  11.96 +/- 1.26   1.185% *  0.0300% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LEU   80  17.90 +/- 5.63   0.452% *  0.0784% (0.88   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  20.34 +/- 5.88   0.383% *  0.0792% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  23.33 +/- 6.73   0.305% *  0.0844% (0.94   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  21.58 +/- 3.43   0.270% *  0.0640% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  23.78 +/- 4.66   0.176% *  0.0792% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  20.48 +/- 1.69   0.211% *  0.0640% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.81 +/- 3.67   0.217% *  0.0541% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.35 +/- 2.68   0.152% *  0.0715% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.98 +/- 3.84   0.549% *  0.0158% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.73 +/- 5.08   0.221% *  0.0273% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  25.04 +/- 3.95   0.133% *  0.0335% (0.37   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.82 +/- 3.82   0.172% *  0.0177% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.09 +/- 2.67   0.136% *  0.0140% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.754, support = 5.55, residual support = 40.5:
          HG3   LYS+  33 - HN    ALA   34   2.80 +/- 0.77  55.171% * 83.5194% (0.76   5.72  42.05) =  96.304%  kept
          QB    ALA   84 - HN    LEU   80   5.20 +/- 0.83  16.746% * 10.2407% (0.54   0.99   0.02) =   3.584%  kept
          QB    ALA   12 - HN    ALA   34  13.95 +/- 3.79   9.837% *  0.1433% (0.37   0.02   0.02) =   0.029%
          HB3   LEU   73 - HN    ALA   34  10.54 +/- 2.17   2.745% *  0.3425% (0.89   0.02   0.02) =   0.020%
          HB3   LEU   73 - HN    LEU   80  12.81 +/- 2.78   1.132% *  0.3068% (0.80   0.02   0.02) =   0.007%
          HB    VAL   42 - HN    ALA   34  11.92 +/- 1.05   1.009% *  0.3190% (0.83   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    ALA   34  12.15 +/- 4.06   1.700% *  0.1859% (0.49   0.02   0.02) =   0.007%
          QB    ALA  124 - HN    ALA   34  22.56 +/- 6.44   1.570% *  0.1433% (0.37   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LEU   80  13.95 +/- 2.79   0.779% *  0.2213% (0.58   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LEU   80  16.09 +/- 3.78   0.600% *  0.2857% (0.75   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ALA   34  18.36 +/- 2.22   0.452% *  0.3190% (0.83   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    ALA   34  17.27 +/- 4.39   0.390% *  0.3526% (0.92   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    LEU   80  20.96 +/- 4.63   0.366% *  0.3301% (0.86   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   80  18.04 +/- 3.33   0.344% *  0.3413% (0.89   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ALA   34  11.18 +/- 2.95   1.692% *  0.0669% (0.17   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LEU   80  16.85 +/- 1.57   0.390% *  0.2857% (0.75   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   34  19.04 +/- 3.14   0.257% *  0.3811% (1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  12.28 +/- 2.21   1.033% *  0.0853% (0.22   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ALA   34  19.53 +/- 3.14   0.269% *  0.2317% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   80  21.51 +/- 4.88   0.238% *  0.2614% (0.68   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  17.14 +/- 3.12   0.863% *  0.0669% (0.17   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   80  17.88 +/- 2.71   0.339% *  0.1665% (0.44   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   80  23.17 +/- 3.75   0.176% *  0.3158% (0.82   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  26.71 +/- 3.40   0.112% *  0.3686% (0.96   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.55 +/- 1.27   0.397% *  0.0952% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.80 +/- 1.90   0.142% *  0.2471% (0.65   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  15.80 +/- 2.49   0.478% *  0.0599% (0.16   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  24.19 +/- 5.52   0.207% *  0.1284% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  17.17 +/- 2.60   0.428% *  0.0599% (0.16   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  25.13 +/- 4.41   0.137% *  0.1284% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.732, support = 5.41, residual support = 39.6:
          QB    LYS+  33 - HN    ALA   34   3.29 +/- 0.40  50.728% * 46.4238% (0.72   5.93  42.05) =  74.773%  kept
          QB    LYS+  81 - HN    LEU   80   5.04 +/- 0.50  16.876% * 37.2029% (0.78   4.44  40.43) =  19.934%  kept
          HB3   GLN   30 - HN    ALA   34   5.52 +/- 0.70  12.817% * 12.6003% (0.69   1.70   1.69) =   5.128%  kept
          HB3   LYS+  38 - HN    ALA   34   8.99 +/- 1.15   3.984% *  0.8103% (0.87   0.09   0.02) =   0.103%  kept
          HG3   PRO   68 - HN    ALA   34  16.85 +/- 3.93   4.194% *  0.1049% (0.49   0.02   0.02) =   0.014%
          QB    LYS+ 106 - HN    LEU   80  15.23 +/- 2.83   1.642% *  0.1731% (0.80   0.02   0.02) =   0.009%
          HB3   GLN   90 - HN    LEU   80  11.76 +/- 2.85   1.632% *  0.1546% (0.72   0.02   0.02) =   0.008%
          HB2   MET   92 - HN    LEU   80  13.57 +/- 2.60   1.243% *  0.1016% (0.47   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    LEU   80  16.86 +/- 5.27   0.882% *  0.1326% (0.61   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU   80  20.47 +/- 3.90   0.988% *  0.1171% (0.54   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    ALA   34  17.51 +/- 2.42   0.446% *  0.1933% (0.89   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  16.88 +/- 3.88   0.741% *  0.1134% (0.52   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU   80  19.76 +/- 3.49   0.344% *  0.1863% (0.86   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  19.88 +/- 4.28   0.381% *  0.1402% (0.65   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  20.62 +/- 5.11   0.472% *  0.1093% (0.51   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  18.51 +/- 2.73   0.373% *  0.1307% (0.61   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  22.59 +/- 4.21   0.233% *  0.1870% (0.87   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LEU   80  19.44 +/- 3.47   0.393% *  0.1016% (0.47   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.95 +/- 4.32   0.490% *  0.0659% (0.30   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.31 +/- 2.83   0.151% *  0.2080% (0.96   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.18 +/- 3.60   0.269% *  0.0940% (0.44   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  26.28 +/- 2.80   0.125% *  0.1726% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  26.28 +/- 2.44   0.115% *  0.1675% (0.78   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  25.72 +/- 2.48   0.159% *  0.1134% (0.52   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  22.54 +/- 3.07   0.209% *  0.0735% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.51 +/- 3.26   0.112% *  0.1220% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.53, support = 7.3, residual support = 80.2:
      O   HA    LEU   80 - HN    LEU   80   2.63 +/- 0.31  71.525% * 73.8400% (0.50  10.0   7.62  86.10) =  92.629%  kept
          HA    ASP-  78 - HN    LEU   80   4.84 +/- 1.04  17.173% * 23.6123% (0.94   1.0   3.37   6.26) =   7.112%  kept
          HA    THR   23 - HN    LEU   80  12.44 +/- 7.26   6.849% *  2.1257% (0.85   1.0   0.34   0.91) =   0.255%  kept
          HB    THR   23 - HN    LEU   80  14.39 +/- 7.13   2.428% *  0.0527% (0.36   1.0   0.02   0.91) =   0.002%
          HA    THR   23 - HN    ALA   34  15.00 +/- 0.70   0.427% *  0.1041% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.56 +/- 1.44   0.537% *  0.0436% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  21.47 +/- 5.44   0.258% *  0.0611% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.66 +/- 2.20   0.121% *  0.1158% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  20.21 +/- 4.25   0.463% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  19.24 +/- 2.90   0.221% *  0.0203% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.58, residual support = 49.4:
      O   HA    GLU-  79 - HN    LEU   80   3.51 +/- 0.26  67.811% * 96.4487% (0.76  10.0   5.61  49.62) =  99.501%  kept
          HB    THR   77 - HN    LEU   80   7.01 +/- 1.41  12.638% *  2.5027% (0.29   1.0   1.35   0.59) =   0.481%  kept
          HA    THR   39 - HN    ALA   34   8.41 +/- 0.60   5.405% *  0.0864% (0.68   1.0   0.02   4.63) =   0.007%
          HA    SER   85 - HN    LEU   80  10.45 +/- 0.92   3.034% *  0.0372% (0.29   1.0   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    LEU   80  18.70 +/- 4.80   0.856% *  0.1181% (0.93   1.0   0.02   0.02) =   0.002%
          HA1   GLY   51 - HN    LEU   80  19.07 +/- 4.36   0.811% *  0.1139% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  12.03 +/- 1.54   2.168% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  14.93 +/- 3.38   1.368% *  0.0409% (0.32   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ALA   34  18.43 +/- 5.10   1.774% *  0.0222% (0.17   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  22.30 +/- 3.29   0.391% *  0.0976% (0.77   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   34  21.20 +/- 2.35   0.345% *  0.0797% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  19.45 +/- 2.86   0.545% *  0.0495% (0.39   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.19 +/- 2.03   0.252% *  0.1045% (0.82   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  28.67 +/- 4.15   0.264% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  23.53 +/- 4.24   0.632% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.36 +/- 1.13   0.708% *  0.0248% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.95 +/- 2.25   0.317% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.86 +/- 3.99   0.289% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  25.04 +/- 4.42   0.243% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  30.96 +/- 7.08   0.150% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.783, support = 5.58, residual support = 46.0:
          HB3   GLU-  79 - HN    LEU   80   3.04 +/- 0.87  60.773% * 74.7256% (0.79   5.90  49.62) =  92.713%  kept
          QB    GLU-  36 - HN    ALA   34   5.18 +/- 0.29  17.645% * 18.8373% (0.70   1.67   0.34) =   6.786%  kept
          HB3   GLU-  29 - HN    ALA   34   7.42 +/- 0.70   5.892% *  2.5366% (0.78   0.20   0.02) =   0.305%  kept
          HG3   GLU-  29 - HN    ALA   34   9.50 +/- 0.61   2.907% *  1.9428% (0.60   0.20   0.02) =   0.115%  kept
          HB2   LYS+  38 - HN    ALA   34   8.52 +/- 1.06   8.208% *  0.3357% (0.24   0.09   0.02) =   0.056%
          HB2   GLN   90 - HN    LEU   80  11.93 +/- 3.05   2.779% *  0.2802% (0.87   0.02   0.02) =   0.016%
          HB3   GLU-  29 - HN    LEU   80  20.74 +/- 6.07   0.421% *  0.3028% (0.94   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    LEU   80  19.96 +/- 6.21   0.526% *  0.2319% (0.72   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ALA   34  20.41 +/- 3.46   0.357% *  0.2096% (0.65   0.02   0.02) =   0.002%
          QB    GLU-  36 - HN    LEU   80  23.31 +/- 3.75   0.227% *  0.2722% (0.85   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  26.76 +/- 2.93   0.128% *  0.2316% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  26.82 +/- 2.57   0.135% *  0.0937% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 4.85, residual support = 21.5:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.04  96.518% * 98.7794% (0.80 10.00   4.85  21.48) =  99.995%  kept
          HN    ALA   12 - HN    ALA   34  17.02 +/- 4.61   1.572% *  0.1223% (0.99  1.00   0.02   0.02) =   0.002%
        T HN    ASN   35 - HN    LEU   80  23.26 +/- 4.02   0.207% *  0.8847% (0.72 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    LEU   80  29.42 +/- 6.49   0.146% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  16.22 +/- 2.27   0.536% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  16.91 +/- 2.36   0.525% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.20 +/- 3.14   0.369% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.45 +/- 1.96   0.127% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.38, residual support = 40.4:
          HN    LYS+  81 - HN    LEU   80   3.47 +/- 0.58  79.787% * 95.6180% (0.89   5.39  40.43) =  99.849%  kept
          HE3   TRP   27 - HN    LEU   80  14.23 +/- 5.26   3.059% *  2.9305% (0.20   0.74   5.12) =   0.117%  kept
          HE3   TRP   27 - HN    ALA   34   7.70 +/- 0.56   9.587% *  0.0884% (0.22   0.02   0.02) =   0.011%
          QD    PHE   60 - HN    LEU   80  14.78 +/- 3.86   2.418% *  0.2848% (0.72   0.02   0.02) =   0.009%
          QD    PHE   60 - HN    ALA   34  16.13 +/- 2.68   1.701% *  0.3179% (0.80   0.02   0.02) =   0.007%
          HN    LYS+  81 - HN    ALA   34  23.42 +/- 4.99   0.402% *  0.3962% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  16.96 +/- 2.13   1.240% *  0.1226% (0.31   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  17.31 +/- 2.36   0.861% *  0.1098% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    LEU   80  19.48 +/- 3.31   0.654% *  0.0623% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  25.19 +/- 2.51   0.292% *  0.0695% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.73, support = 1.71, residual support = 1.79:
          HA    GLN   30 - HN    ALA   34   4.28 +/- 0.71  42.710% * 40.2701% (0.80   1.89   1.69) =  68.172%  kept
          HB3   SER   37 - HN    ALA   34   6.31 +/- 1.22  18.078% * 19.0834% (0.45   1.60   0.67) =  13.674%  kept
          HB    THR   39 - HN    ALA   34   7.41 +/- 1.31  11.726% * 24.2690% (0.61   1.50   4.63) =  11.280%  kept
          HB3   SER   82 - HN    LEU   80   6.85 +/- 0.89  13.603% * 12.4777% (0.82   0.57   0.33) =   6.728%  kept
          QB    SER   13 - HN    ALA   34  13.10 +/- 3.38   2.833% *  0.3451% (0.65   0.02   0.02) =   0.039%
          HA    ILE   89 - HN    LEU   80  11.35 +/- 1.52   3.096% *  0.2142% (0.40   0.02   0.02) =   0.026%
          HD3   PRO   52 - HN    LEU   80  18.15 +/- 3.83   0.851% *  0.4145% (0.78   0.02   0.02) =   0.014%
          HA    GLN   30 - HN    LEU   80  19.30 +/- 5.32   0.909% *  0.3826% (0.72   0.02   0.02) =   0.014%
          HB2   CYS   53 - HN    LEU   80  15.96 +/- 4.12   1.879% *  0.1793% (0.34   0.02   0.02) =   0.013%
          HB3   SER   82 - HN    ALA   34  23.15 +/- 6.47   0.670% *  0.4925% (0.92   0.02   0.02) =   0.013%
          HD3   PRO   52 - HN    ALA   34  28.14 +/- 4.25   0.336% *  0.4628% (0.87   0.02   0.02) =   0.006%
          QB    SER   13 - HN    LEU   80  24.43 +/- 4.48   0.333% *  0.3091% (0.58   0.02   0.02) =   0.004%
          HB    THR   39 - HN    LEU   80  22.31 +/- 2.35   0.355% *  0.2898% (0.54   0.02   0.02) =   0.004%
          HB    THR  118 - HN    LEU   80  20.15 +/- 3.29   1.314% *  0.0737% (0.14   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    ALA   34  23.52 +/- 3.15   0.318% *  0.2392% (0.45   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    LEU   80  24.62 +/- 3.15   0.281% *  0.2142% (0.40   0.02   0.02) =   0.002%
          HB2   CYS   53 - HN    ALA   34  24.32 +/- 2.63   0.264% *  0.2002% (0.37   0.02   0.02) =   0.002%
          HB    THR  118 - HN    ALA   34  22.87 +/- 3.73   0.443% *  0.0823% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.747, support = 2.7, residual support = 10.0:
          HA    LEU   31 - HN    ALA   34   3.15 +/- 0.30  71.194% * 90.5324% (0.76   2.77  10.38) =  96.415%  kept
          HA    THR   77 - HN    LEU   80   5.23 +/- 1.46  27.936% *  8.5624% (0.34   0.60   0.59) =   3.578%  kept
          HA    LEU   31 - HN    LEU   80  19.01 +/- 4.63   0.572% *  0.5847% (0.68   0.02   0.02) =   0.005%
          HA    THR   77 - HN    ALA   34  20.45 +/- 2.24   0.299% *  0.3206% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.393, support = 3.26, residual support = 6.15:
          HA    ASP-  78 - HN    LEU   80   4.84 +/- 1.04  50.594% * 87.2342% (0.40   3.37   6.26) =  96.245%  kept
          HA    THR   23 - HN    LEU   80  12.44 +/- 7.26  27.134% *  3.8567% (0.18   0.34   0.91) =   2.282%  kept
          HA    VAL   41 - HN    ALA   34   8.73 +/- 2.01   9.474% *  6.1968% (0.17   0.55   7.86) =   1.280%  kept
          HA    PHE   45 - HN    LEU   80   9.44 +/- 2.60   9.288% *  0.7927% (0.61   0.02   0.02) =   0.161%  kept
          HA    PHE   45 - HN    ALA   34  18.30 +/- 1.79   0.825% *  0.8850% (0.69   0.02   0.02) =   0.016%
          HA    THR   23 - HN    ALA   34  15.00 +/- 0.70   1.377% *  0.2550% (0.20   0.02   0.02) =   0.008%
          HA    ASP-  78 - HN    ALA   34  23.66 +/- 2.20   0.377% *  0.5776% (0.45   0.02   0.02) =   0.005%
          HA    VAL   41 - HN    LEU   80  17.45 +/- 1.71   0.930% *  0.2021% (0.16   0.02   0.02) =   0.004%
    Distance limit 4.08 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.704, support = 4.51, residual support = 19.1:
          QE    LYS+  33 - HN    ALA   34   4.21 +/- 0.92  32.575% * 33.9772% (0.52   5.84  42.05) =  39.354%  kept
          HB2   ASP-  78 - HN    LEU   80   5.19 +/- 1.18  23.744% * 41.2929% (0.88   4.25   6.26) =  34.862%  kept
          HB2   ASP-  76 - HN    LEU   80   4.60 +/- 1.26  30.718% * 23.5737% (0.75   2.85   1.35) =  25.748%  kept
          HB2   ASN   28 - HN    ALA   34   9.65 +/- 0.36   2.630% *  0.0910% (0.41   0.02   0.02) =   0.009%
          HB2   ASN   69 - HN    ALA   34  15.47 +/- 2.89   1.428% *  0.1606% (0.72   0.02   0.02) =   0.008%
          QE    LYS+  65 - HN    LEU   80  14.34 +/- 4.26   2.433% *  0.0551% (0.25   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HN    LEU   80   9.57 +/- 1.18   3.380% *  0.0268% (0.12   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    LEU   80  17.46 +/- 6.33   1.069% *  0.0815% (0.37   0.02   1.22) =   0.003%
          HB2   ASP-  76 - HN    ALA   34  19.16 +/- 2.17   0.339% *  0.1848% (0.83   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    LEU   80  20.60 +/- 4.65   0.407% *  0.1043% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  23.01 +/- 2.02   0.195% *  0.2168% (0.98   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.40 +/- 2.71   0.227% *  0.1439% (0.65   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ALA   34  17.59 +/- 1.90   0.471% *  0.0615% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  20.94 +/- 6.01   0.383% *  0.0299% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.433, support = 5.66, residual support = 48.9:
          HB2   GLU-  79 - HN    LEU   80   3.06 +/- 0.48  81.479% * 85.8343% (0.44   5.74  49.62) =  98.506%  kept
          HG3   GLU-  36 - HN    ALA   34   7.26 +/- 0.96  10.552% *  9.7507% (0.34   0.83   0.34) =   1.449%  kept
          HG3   GLU-  25 - HN    LEU   80  17.85 +/- 6.63   1.583% *  0.6026% (0.88   0.02   0.02) =   0.013%
          HG3   GLU-  25 - HN    ALA   34  15.06 +/- 0.73   0.812% *  0.6728% (0.98   0.02   0.02) =   0.008%
          HG2   PRO   52 - HN    LEU   80  17.04 +/- 3.52   0.682% *  0.5333% (0.78   0.02   0.02) =   0.005%
          QG    GLU- 114 - HN    LEU   80  17.83 +/- 3.12   1.360% *  0.2527% (0.37   0.02   0.02) =   0.005%
          HG2   MET   92 - HN    LEU   80  13.61 +/- 2.92   1.423% *  0.2097% (0.30   0.02   0.02) =   0.004%
          HG2   PRO   52 - HN    ALA   34  26.82 +/- 3.89   0.343% *  0.5954% (0.87   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HN    ALA   34  20.35 +/- 3.45   0.371% *  0.3341% (0.49   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  20.54 +/- 3.75   0.505% *  0.2307% (0.34   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    ALA   34  22.14 +/- 2.77   0.297% *  0.2576% (0.37   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.99 +/- 2.24   0.241% *  0.2822% (0.41   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  26.20 +/- 2.73   0.196% *  0.2341% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  27.26 +/- 3.95   0.156% *  0.2097% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.748, support = 5.45, residual support = 43.7:
          HB3   GLU-  79 - HN    LEU   80   3.04 +/- 0.87  48.647% * 66.6988% (0.78   5.90  49.62) =  88.004%  kept
          QB    GLU-  36 - HN    ALA   34   5.18 +/- 0.29  13.540% * 19.5202% (0.80   1.67   0.34) =   7.169%  kept
          QB    GLN   32 - HN    ALA   34   4.69 +/- 0.20  18.123% *  8.5528% (0.17   3.35   0.67) =   4.204%  kept
          HB    VAL   24 - HN    LEU   80  11.80 +/- 6.79   7.020% *  2.0915% (0.20   0.72   4.37) =   0.398%  kept
          HB3   GLU-  29 - HN    ALA   34   7.42 +/- 0.70   4.542% *  1.4362% (0.49   0.20   0.02) =   0.177%  kept
          HG3   GLU-  29 - HN    ALA   34   9.50 +/- 0.61   2.238% *  0.5167% (0.17   0.20   0.02) =   0.031%
          HG3   GLU- 100 - HN    ALA   34  12.66 +/- 3.69   1.347% *  0.1418% (0.49   0.02   0.02) =   0.005%
          HB2   GLN   90 - HN    LEU   80  11.93 +/- 3.05   2.167% *  0.0805% (0.28   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    ALA   34  20.41 +/- 3.46   0.271% *  0.2526% (0.87   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    ALA   34  14.29 +/- 0.60   0.644% *  0.0648% (0.22   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LEU   80  20.74 +/- 6.07   0.316% *  0.1270% (0.44   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.31 +/- 3.75   0.172% *  0.2089% (0.72   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  19.96 +/- 6.21   0.393% *  0.0457% (0.16   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  20.00 +/- 4.97   0.364% *  0.0457% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  25.38 +/- 2.60   0.119% *  0.1270% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.76 +/- 2.93   0.097% *  0.0899% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.156, residual support = 0.301:
          QG1   VAL   75 - HN    LEU   80   6.78 +/- 1.56  73.353% * 69.0060% (0.68   0.16   0.32) =  94.970%  kept
          QD1   LEU  115 - HN    LEU   80  15.82 +/- 2.79  10.877% * 10.1927% (0.82   0.02   0.02) =   2.080%  kept
          QG1   VAL   75 - HN    ALA   34  13.81 +/- 1.93  11.339% *  9.4212% (0.76   0.02   0.02) =   2.004%  kept
          QD1   LEU  115 - HN    ALA   34  19.73 +/- 1.51   4.432% * 11.3800% (0.92   0.02   0.02) =   0.946%  kept
    Distance limit 4.65 A violated in 12 structures by 2.07 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.333, support = 6.61, residual support = 83.0:
          QD2   LEU   80 - HN    LEU   80   3.39 +/- 0.71  38.391% * 55.8029% (0.40   6.51  86.10) =  67.109%  kept
          QD1   LEU   80 - HN    LEU   80   3.67 +/- 1.02  32.569% * 28.4288% (0.18   7.51  86.10) =  29.004%  kept
          QG2   VAL   41 - HN    ALA   34   6.59 +/- 2.98   9.528% * 12.5259% (0.34   1.72   7.86) =   3.739%  kept
          QD1   LEU   73 - HN    ALA   34   7.95 +/- 2.17   4.490% *  0.3569% (0.83   0.02   0.02) =   0.050%
          QD1   LEU   73 - HN    LEU   80  10.98 +/- 2.87   2.143% *  0.3196% (0.75   0.02   0.02) =   0.021%
          QD1   LEU   63 - HN    ALA   34  13.86 +/- 3.10   1.665% *  0.3569% (0.83   0.02   0.02) =   0.019%
          QD2   LEU   63 - HN    ALA   34  13.39 +/- 2.50   1.196% *  0.3832% (0.89   0.02   0.02) =   0.014%
          QD1   LEU  104 - HN    ALA   34  12.58 +/- 2.78   2.320% *  0.1065% (0.25   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   80  14.90 +/- 3.03   0.708% *  0.3196% (0.75   0.02   0.02) =   0.007%
          QD2   LEU   98 - HN    ALA   34   9.57 +/- 3.28   2.659% *  0.0845% (0.20   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    LEU   80  14.65 +/- 2.25   0.543% *  0.3432% (0.80   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    ALA   34  16.49 +/- 5.81   0.730% *  0.1915% (0.45   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LEU   80  14.19 +/- 1.75   0.611% *  0.1305% (0.30   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU   80  16.28 +/- 2.25   0.402% *  0.1863% (0.44   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ALA   34  17.33 +/- 6.31   0.800% *  0.0845% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   34  19.57 +/- 1.81   0.299% *  0.2080% (0.49   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    LEU   80  14.44 +/- 2.34   0.663% *  0.0757% (0.18   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  18.59 +/- 2.59   0.282% *  0.0954% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.05 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 = 0.7, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.43 +/- 4.60  15.803% * 31.5414% (1.00   0.02   0.02) =  30.772%  kept
          QD2   LEU  123 - HN    LEU   80  21.79 +/- 4.14  16.143% * 28.2508% (0.89   0.02   0.02) =  28.155%  kept
          HG3   LYS+ 121 - HN    ALA   34  22.65 +/- 7.42  17.936% * 14.1725% (0.45   0.02   0.02) =  15.693%  kept
          HB3   LEU  104 - HN    ALA   34  17.04 +/- 3.09  25.762% *  7.0378% (0.22   0.02   0.02) =  11.193%  kept
          HG3   LYS+ 121 - HN    LEU   80  24.17 +/- 4.42  11.933% * 12.6939% (0.40   0.02   0.02) =   9.351%  kept
          HB3   LEU  104 - HN    LEU   80  22.60 +/- 3.61  12.424% *  6.3036% (0.20   0.02   0.02) =   4.835%  kept
    Distance limit 4.47 A violated in 20 structures by 9.53 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.777, support = 5.48, residual support = 40.7:
          QB    LYS+  33 - HN    ALA   34   3.29 +/- 0.40  50.728% * 46.4609% (0.74   5.93  42.05) =  74.018%  kept
          QB    LYS+  81 - HN    LEU   80   5.04 +/- 0.50  16.876% * 44.3938% (0.94   4.44  40.43) =  23.528%  kept
          HB3   GLN   30 - HN    ALA   34   5.52 +/- 0.70  12.817% *  5.7935% (0.32   1.70   1.69) =   2.332%  kept
          HB3   LYS+  38 - HN    ALA   34   8.99 +/- 1.15   3.984% *  0.4353% (0.47   0.09   0.02) =   0.054%
          HG3   PRO   68 - HN    ALA   34  16.85 +/- 3.93   4.194% *  0.1266% (0.60   0.02   0.02) =   0.017%
          QB    LYS+ 106 - HN    LEU   80  15.23 +/- 2.83   1.642% *  0.2003% (0.95   0.02   0.02) =   0.010%
          HB3   GLN   90 - HN    LEU   80  11.76 +/- 2.85   1.632% *  0.1963% (0.93   0.02   0.02) =   0.010%
          HB3   ASP- 105 - HN    LEU   80  20.47 +/- 3.90   0.988% *  0.1737% (0.82   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ALA   34  16.88 +/- 3.88   0.741% *  0.1326% (0.63   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU   80  20.62 +/- 5.11   0.472% *  0.1673% (0.79   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.51 +/- 2.42   0.446% *  0.1656% (0.78   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LEU   80  16.86 +/- 5.27   0.882% *  0.0823% (0.39   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  19.88 +/- 4.28   0.381% *  0.1895% (0.89   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    LEU   80  13.57 +/- 2.60   1.243% *  0.0557% (0.26   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  19.44 +/- 3.47   0.393% *  0.1604% (0.76   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  18.51 +/- 2.73   0.373% *  0.1436% (0.68   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  19.76 +/- 3.49   0.344% *  0.1531% (0.72   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    LEU   80  22.18 +/- 3.60   0.269% *  0.1531% (0.72   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   34  22.59 +/- 4.21   0.233% *  0.1652% (0.78   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  26.28 +/- 2.80   0.125% *  0.1623% (0.77   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.31 +/- 2.83   0.151% *  0.1266% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.51 +/- 3.26   0.112% *  0.1383% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  20.95 +/- 4.32   0.490% *  0.0309% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.28 +/- 2.44   0.115% *  0.1215% (0.57   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.72 +/- 2.48   0.159% *  0.0460% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  22.54 +/- 3.07   0.209% *  0.0256% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.247, support = 3.67, residual support = 24.9:
      O   QB    ALA   34 - HN    ALA   34   2.05 +/- 0.07  89.961% * 81.6346% (0.24  10.0   3.69  25.13) =  98.924%  kept
          QG2   THR   77 - HN    LEU   80   6.30 +/- 1.19   4.589% * 17.2441% (0.76   1.0   1.35   0.59) =   1.066%  kept
          QG2   THR   23 - HN    LEU   80  11.99 +/- 5.70   2.213% *  0.2069% (0.61   1.0   0.02   0.91) =   0.006%
          QB    ALA   88 - HN    LEU   80  11.58 +/- 0.95   0.545% *  0.1315% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.67 +/- 1.18   0.416% *  0.1711% (0.51   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.51 +/- 0.76   1.404% *  0.0408% (0.12   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.74 +/- 1.51   0.150% *  0.2118% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.99 +/- 2.94   0.209% *  0.0987% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  16.14 +/- 2.98   0.259% *  0.0560% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  21.18 +/- 3.29   0.100% *  0.1087% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.47 +/- 2.42   0.108% *  0.0463% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.46 +/- 2.56   0.046% *  0.0494% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.462, support = 6.22, residual support = 86.1:
      O   HB2   LEU   80 - HN    LEU   80   3.33 +/- 0.68  45.714% * 49.5891% (0.26  10.0   5.90  86.10) =  59.651%  kept
          HG    LEU   80 - HN    LEU   80   4.03 +/- 0.95  31.959% * 47.9117% (0.76   1.0   6.71  86.10) =  40.291%  kept
          HG    LEU   73 - HN    ALA   34   9.26 +/- 2.58   3.448% *  0.1232% (0.65   1.0   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    ALA   34   9.65 +/- 1.74   2.965% *  0.1013% (0.54   1.0   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    LEU   80  13.97 +/- 2.84   1.097% *  0.1687% (0.89   1.0   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ALA   34  14.57 +/- 2.86   1.247% *  0.1471% (0.78   1.0   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    ALA   34  14.72 +/- 1.86   0.779% *  0.1395% (0.74   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LEU   80  14.07 +/- 3.10   0.715% *  0.1490% (0.79   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LEU   80  16.87 +/- 2.87   0.574% *  0.1721% (0.91   1.0   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    LEU   80  15.36 +/- 2.01   0.702% *  0.1363% (0.72   1.0   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ALA   34  16.81 +/- 4.54   0.857% *  0.1071% (0.57   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ALA   34  17.10 +/- 2.13   0.616% *  0.1423% (0.75   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ALA   34  10.79 +/- 0.80   1.592% *  0.0503% (0.27   1.0   0.02   0.40) =   0.002%
          HB3   LEU   67 - HN    LEU   80  18.33 +/- 2.41   0.337% *  0.1780% (0.94   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ALA   34  20.37 +/- 6.51   0.381% *  0.1181% (0.63   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   80  18.43 +/- 4.79   0.356% *  0.1225% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  11.01 +/- 2.25   1.371% *  0.0275% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   80  18.89 +/- 3.14   0.618% *  0.0608% (0.32   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  14.85 +/- 2.79   0.930% *  0.0368% (0.20   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   34  22.30 +/- 2.49   0.198% *  0.1127% (0.60   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  23.64 +/- 3.55   0.166% *  0.1295% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ALA   34  22.24 +/- 7.55   0.781% *  0.0258% (0.14   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU   80  17.89 +/- 3.41   0.446% *  0.0445% (0.24   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU   80  19.58 +/- 1.85   0.318% *  0.0608% (0.32   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LEU   80  23.49 +/- 4.08   0.592% *  0.0312% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.23 +/- 1.38   0.758% *  0.0228% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  20.49 +/- 5.72   0.314% *  0.0410% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.84 +/- 1.71   0.168% *  0.0503% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.605, support = 1.9, residual support = 9.32:
          HG    LEU   31 - HN    ALA   34   5.70 +/- 0.38  18.637% * 64.2133% (0.51   2.61  10.38) =  62.287%  kept
          QG1   VAL   41 - HN    ALA   34   5.80 +/- 2.48  24.529% * 28.4791% (0.78   0.75   7.86) =  36.358%  kept
          QG2   THR   46 - HN    LEU   80   9.14 +/- 3.17  10.769% *  0.5584% (0.57   0.02   0.02) =   0.313%  kept
          QG2   VAL   18 - HN    ALA   34  11.29 +/- 1.94   6.529% *  0.5527% (0.57   0.02   0.02) =   0.188%  kept
          QG1   VAL   43 - HN    LEU   80  10.19 +/- 1.86   4.102% *  0.8498% (0.87   0.02   0.02) =   0.181%  kept
          QD2   LEU   73 - HN    ALA   34   7.77 +/- 1.55   8.310% *  0.3705% (0.38   0.02   0.02) =   0.160%  kept
          QD1   ILE   19 - HN    ALA   34   7.36 +/- 1.76  11.031% *  0.2116% (0.22   0.02   0.02) =   0.121%  kept
          QG1   VAL   43 - HN    ALA   34  11.02 +/- 2.37   2.865% *  0.7026% (0.72   0.02   0.02) =   0.105%  kept
          QD2   LEU   73 - HN    LEU   80  11.49 +/- 2.94   3.595% *  0.4481% (0.46   0.02   0.02) =   0.084%
          QG2   VAL   18 - HN    LEU   80  14.38 +/- 4.63   1.450% *  0.6685% (0.69   0.02   0.02) =   0.050%
          QG1   VAL   41 - HN    LEU   80  15.65 +/- 2.05   0.941% *  0.9185% (0.94   0.02   0.02) =   0.045%
          HG    LEU   31 - HN    LEU   80  17.06 +/- 5.10   1.273% *  0.5955% (0.61   0.02   0.02) =   0.039%
          QG2   THR   46 - HN    ALA   34  16.93 +/- 1.47   0.667% *  0.4617% (0.47   0.02   0.02) =   0.016%
          QD2   LEU  104 - HN    ALA   34  12.44 +/- 2.31   2.173% *  0.1333% (0.14   0.02   0.02) =   0.015%
          QD1   ILE   19 - HN    LEU   80  15.88 +/- 3.81   1.072% *  0.2560% (0.26   0.02   0.02) =   0.014%
          QD1   ILE   56 - HN    LEU   80  16.11 +/- 3.09   1.057% *  0.2295% (0.24   0.02   0.02) =   0.013%
          QD2   LEU  104 - HN    LEU   80  18.13 +/- 2.81   0.594% *  0.1612% (0.17   0.02   0.02) =   0.005%
          QD1   ILE   56 - HN    ALA   34  20.43 +/- 2.14   0.408% *  0.1898% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.5, residual support = 86.0:
          QD2   LEU   80 - HN    LEU   80   3.39 +/- 0.71  53.446% * 97.1562% (0.85   6.51  86.10) =  99.843%  kept
          QD1   LEU   73 - HN    ALA   34   7.95 +/- 2.17   8.785% *  0.2699% (0.77   0.02   0.02) =   0.046%
          QG1   VAL   83 - HN    LEU   80   5.51 +/- 0.82  20.015% *  0.0830% (0.24   0.02   0.11) =   0.032%
          QD1   LEU   73 - HN    LEU   80  10.98 +/- 2.87   4.357% *  0.3265% (0.93   0.02   0.02) =   0.027%
          QD1   LEU   63 - HN    ALA   34  13.86 +/- 3.10   1.983% *  0.2699% (0.77   0.02   0.02) =   0.010%
          QD1   LEU  104 - HN    ALA   34  12.58 +/- 2.78   2.692% *  0.1892% (0.54   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    LEU   80  14.90 +/- 3.03   1.216% *  0.3265% (0.93   0.02   0.02) =   0.008%
          QD2   LEU   80 - HN    ALA   34  16.49 +/- 5.81   1.555% *  0.2470% (0.70   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    ALA   34  13.39 +/- 2.50   2.036% *  0.1235% (0.35   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LEU   80  16.28 +/- 2.25   0.603% *  0.3074% (0.87   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU   80  14.65 +/- 2.25   0.995% *  0.1493% (0.42   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  16.13 +/- 5.17   1.489% *  0.0687% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   34  19.57 +/- 1.81   0.396% *  0.2542% (0.72   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  18.59 +/- 2.59   0.432% *  0.2288% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.457, support = 0.159, residual support = 0.307:
          QG1   VAL   75 - HN    LEU   80   6.78 +/- 1.56  73.353% * 80.4663% (0.46   0.16   0.32) =  96.993%  kept
          QG1   VAL   75 - HN    ALA   34  13.81 +/- 1.93  11.339% *  8.1356% (0.38   0.02   0.02) =   1.516%  kept
          QD1   LEU  115 - HN    LEU   80  15.82 +/- 2.79  10.877% *  6.2393% (0.29   0.02   0.02) =   1.115%  kept
          QD1   LEU  115 - HN    ALA   34  19.73 +/- 1.51   4.432% *  5.1588% (0.24   0.02   0.02) =   0.376%  kept
    Distance limit 4.46 A violated in 12 structures by 2.25 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.618, support = 3.53, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.02  70.803% * 86.4460% (0.63  10.0   3.50  25.13) =  97.462%  kept
          HA    LYS+  81 - HN    LEU   80   4.75 +/- 0.40  14.652% * 10.2246% (0.29   1.0   5.07  40.43) =   2.386%  kept
          HA    GLU-  36 - HN    ALA   34   7.00 +/- 0.10   4.297% *  2.0507% (0.17   1.0   1.71   0.34) =   0.140%  kept
          HA    ASN   28 - HN    ALA   34   7.92 +/- 0.27   3.005% *  0.1021% (0.74   1.0   0.02   0.02) =   0.005%
          HA    ASN   28 - HN    LEU   80  16.63 +/- 5.90   0.813% *  0.1235% (0.89   1.0   0.02   1.22) =   0.002%
          HA1   GLY  101 - HN    ALA   34  14.05 +/- 4.64   1.122% *  0.0655% (0.47   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   34  25.99 +/- 7.90   0.874% *  0.0784% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  19.43 +/- 3.06   0.425% *  0.1205% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  19.59 +/- 4.64   0.449% *  0.1091% (0.79   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34   9.99 +/- 0.75   1.571% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  29.09 +/- 5.34   0.202% *  0.0948% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.77 +/- 3.49   0.181% *  0.1046% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  17.64 +/- 6.42   0.667% *  0.0229% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  22.27 +/- 3.54   0.247% *  0.0585% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.86 +/- 2.35   0.123% *  0.0997% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.12 +/- 3.39   0.150% *  0.0792% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.99 +/- 2.92   0.099% *  0.0902% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  23.90 +/- 4.41   0.146% *  0.0333% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.96 +/- 2.64   0.087% *  0.0484% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.33 +/- 3.73   0.086% *  0.0291% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.586, support = 2.67, residual support = 9.91:
          HA    LEU   31 - HN    ALA   34   3.15 +/- 0.30  71.194% * 87.7212% (0.60   2.77  10.38) =  95.220%  kept
          HA    THR   77 - HN    LEU   80   5.23 +/- 1.46  27.936% * 11.2031% (0.36   0.60   0.59) =   4.772%  kept
          HA    LEU   31 - HN    LEU   80  19.01 +/- 4.63   0.572% *  0.7650% (0.72   0.02   0.02) =   0.007%
          HA    THR   77 - HN    ALA   34  20.45 +/- 2.24   0.299% *  0.3106% (0.29   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.713, support = 4.68, residual support = 21.1:
          QE    LYS+  33 - HN    ALA   34   4.21 +/- 0.92  32.575% * 38.0489% (0.60   5.84  42.05) =  44.128%  kept
          HB2   ASP-  78 - HN    LEU   80   5.19 +/- 1.18  23.744% * 42.9870% (0.93   4.25   6.26) =  36.340%  kept
          HB2   ASP-  76 - HN    LEU   80   4.60 +/- 1.26  30.718% * 17.8204% (0.57   2.85   1.35) =  19.490%  kept
          HB2   ASN   28 - HN    ALA   34   9.65 +/- 0.36   2.630% *  0.1103% (0.51   0.02   0.02) =   0.010%
          QE    LYS+  65 - HN    LEU   80  14.34 +/- 4.26   2.433% *  0.1004% (0.46   0.02   0.02) =   0.009%
          HB2   ASP-  86 - HN    LEU   80   9.57 +/- 1.18   3.380% *  0.0574% (0.26   0.02   0.02) =   0.007%
          HB2   ASN   28 - HN    LEU   80  17.46 +/- 6.33   1.069% *  0.1334% (0.61   0.02   1.22) =   0.005%
          HB2   ASN   69 - HN    ALA   34  15.47 +/- 2.89   1.428% *  0.0830% (0.38   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    LEU   80  20.60 +/- 4.65   0.407% *  0.1576% (0.72   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ALA   34  17.59 +/- 1.90   0.471% *  0.0830% (0.38   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HN    ALA   34  19.16 +/- 2.17   0.339% *  0.1034% (0.47   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ALA   34  23.01 +/- 2.02   0.195% *  0.1672% (0.77   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    LEU   80  23.40 +/- 2.71   0.227% *  0.1004% (0.46   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  20.94 +/- 6.01   0.383% *  0.0474% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.458, support = 5.68, residual support = 49.1:
          HB2   GLU-  79 - HN    LEU   80   3.06 +/- 0.48  81.479% * 88.6226% (0.46   5.74  49.62) =  98.882%  kept
          HG3   GLU-  36 - HN    ALA   34   7.26 +/- 0.96  10.552% *  7.4555% (0.27   0.83   0.34) =   1.077%  kept
          HG3   GLU-  25 - HN    LEU   80  17.85 +/- 6.63   1.583% *  0.6222% (0.93   0.02   0.02) =   0.013%
          HG3   GLU-  25 - HN    ALA   34  15.06 +/- 0.73   0.812% *  0.5144% (0.77   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    LEU   80  17.04 +/- 3.52   0.682% *  0.5506% (0.82   0.02   0.02) =   0.005%
          QG    GLU- 114 - HN    LEU   80  17.83 +/- 3.12   1.360% *  0.2610% (0.39   0.02   0.02) =   0.005%
          HG2   MET   92 - HN    LEU   80  13.61 +/- 2.92   1.423% *  0.2165% (0.32   0.02   0.02) =   0.004%
          HG2   PRO   52 - HN    ALA   34  26.82 +/- 3.89   0.343% *  0.4552% (0.68   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  20.54 +/- 3.75   0.505% *  0.2382% (0.36   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  20.35 +/- 3.45   0.371% *  0.2555% (0.38   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.14 +/- 2.77   0.297% *  0.1970% (0.29   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.99 +/- 2.24   0.241% *  0.2158% (0.32   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  26.20 +/- 2.73   0.196% *  0.1790% (0.27   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  27.26 +/- 3.95   0.156% *  0.2165% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 7.19, residual support = 40.2:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.03  37.893% * 89.0054% (0.78  10.0   7.34  42.05) =  95.553%  kept
          HA    GLN   32 - HN    ALA   34   4.31 +/- 0.27  22.136% *  5.8386% (0.22   1.0   4.72   0.67) =   3.662%  kept
          HB2   SER   82 - HN    LEU   80   7.19 +/- 0.90   6.320% *  2.7309% (0.85   1.0   0.57   0.33) =   0.489%  kept
          HA    GLU-  29 - HN    ALA   34   6.66 +/- 0.50   6.027% *  0.8702% (0.75   1.0   0.20   0.02) =   0.149%  kept
          HB2   SER   37 - HN    ALA   34   6.45 +/- 0.84   7.869% *  0.4879% (0.17   1.0   0.49   0.67) =   0.109%  kept
          HA    VAL   18 - HN    ALA   34  11.00 +/- 1.98   8.621% *  0.0842% (0.74   1.0   0.02   0.02) =   0.021%
          HA    SER   48 - HN    LEU   80  13.02 +/- 5.39   5.051% *  0.0566% (0.50   1.0   0.02   0.02) =   0.008%
          HA    VAL   70 - HN    ALA   34  11.69 +/- 2.23   1.521% *  0.0772% (0.68   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  17.90 +/- 5.63   0.452% *  0.1018% (0.89   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  20.34 +/- 5.88   0.383% *  0.1039% (0.91   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  11.96 +/- 1.26   1.185% *  0.0332% (0.29   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  21.58 +/- 3.43   0.270% *  0.0934% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  23.33 +/- 6.73   0.305% *  0.0798% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  20.48 +/- 1.69   0.211% *  0.0934% (0.82   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  23.78 +/- 4.66   0.176% *  0.1076% (0.95   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  24.35 +/- 2.68   0.152% *  0.0772% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.81 +/- 3.67   0.217% *  0.0468% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.98 +/- 3.84   0.549% *  0.0166% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.73 +/- 5.08   0.221% *  0.0299% (0.26   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  25.04 +/- 3.95   0.133% *  0.0275% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.09 +/- 2.67   0.136% *  0.0240% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.82 +/- 3.82   0.172% *  0.0137% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.454, support = 0.02, residual support = 0.383:
          HN    GLU-  29 - HN    ALA   34   8.04 +/- 0.44  18.565% * 11.4785% (0.61  1.00   0.02   0.02) =  30.997%  kept
          HN    GLN   30 - HN    ALA   34   5.98 +/- 0.50  45.074% *  3.3143% (0.17  1.00   0.02   1.69) =  21.730%  kept
          HN    VAL   18 - HN    ALA   34  12.80 +/- 2.13   9.138% * 13.7422% (0.72  1.00   0.02   0.02) =  18.267%  kept
        T HN    ASP-  86 - HN    ALA   34  22.74 +/- 5.45   1.473% * 42.1332% (0.22 10.00   0.02   0.02) =   9.027%  kept
          HN    ASP-  86 - HN    LEU   80   8.96 +/- 0.94  15.542% *  3.7738% (0.20  1.00   0.02   0.02) =   8.531%  kept
          HN    GLU-  29 - HN    LEU   80  18.03 +/- 6.17   4.148% * 10.2810% (0.54  1.00   0.02   0.02) =   6.203%  kept
          HN    VAL   18 - HN    LEU   80  19.37 +/- 5.33   1.935% * 12.3085% (0.65  1.00   0.02   0.02) =   3.464%  kept
          HN    GLN   30 - HN    LEU   80  17.73 +/- 5.75   4.125% *  2.9685% (0.16  1.00   0.02   0.02) =   1.781%  kept
    Distance limit 3.81 A violated in 15 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.379, support = 0.02, residual support = 0.318:
          HN    GLU-  29 - HN    ALA   34   8.04 +/- 0.44  18.565% * 10.1298% (0.41  1.00   0.02   0.02) =  28.522%  kept
          HN    VAL   18 - HN    ALA   34  12.80 +/- 2.13   9.138% * 15.4172% (0.63  1.00   0.02   0.02) =  21.368%  kept
          HN    GLN   30 - HN    ALA   34   5.98 +/- 0.50  45.074% *  2.6057% (0.11  1.00   0.02   1.69) =  17.813%  kept
          HN    ASP-  86 - HN    LEU   80   8.96 +/- 0.94  15.542% *  4.0782% (0.17  1.00   0.02   0.02) =   9.613%  kept
          HN    GLU-  29 - HN    LEU   80  18.03 +/- 6.17   4.148% * 12.2517% (0.50  1.00   0.02   0.02) =   7.708%  kept
        T HN    ASP-  86 - HN    ALA   34  22.74 +/- 5.45   1.473% * 33.7193% (0.14 10.00   0.02   0.02) =   7.533%  kept
          HN    VAL   18 - HN    LEU   80  19.37 +/- 5.33   1.935% * 18.6466% (0.76  1.00   0.02   0.02) =   5.471%  kept
          HN    GLN   30 - HN    LEU   80  17.73 +/- 5.75   4.125% *  3.1515% (0.13  1.00   0.02   0.02) =   1.972%  kept
    Distance limit 3.78 A violated in 15 structures by 1.90 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.85, residual support = 21.5:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.04  96.518% * 98.3004% (0.54 10.00   4.85  21.48) =  99.994%  kept
        T HN    ASN   35 - HN    LEU   80  23.26 +/- 4.02   0.207% *  1.1889% (0.65 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  17.02 +/- 4.61   1.572% *  0.1428% (0.78  1.00   0.02   0.02) =   0.002%
          HN    PHE   97 - HN    LEU   80  16.91 +/- 2.36   0.525% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  29.42 +/- 6.49   0.146% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  16.22 +/- 2.27   0.536% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.20 +/- 3.14   0.369% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.45 +/- 1.96   0.127% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.38, residual support = 40.4:
          HN    LYS+  81 - HN    LEU   80   3.47 +/- 0.58  80.548% * 96.7235% (0.94   5.39  40.43) =  99.891%  kept
          HE3   TRP   27 - HN    LEU   80  14.23 +/- 5.26   3.088% *  2.0682% (0.15   0.74   5.12) =   0.082%
          QD    PHE   60 - HN    LEU   80  14.78 +/- 3.86   2.441% *  0.3248% (0.85   0.02   0.02) =   0.010%
          QD    PHE   60 - HN    ALA   34  16.13 +/- 2.68   1.717% *  0.2685% (0.70   0.02   0.02) =   0.006%
          HE3   TRP   27 - HN    ALA   34   7.70 +/- 0.56   9.679% *  0.0462% (0.12   0.02   0.02) =   0.006%
          HN    LYS+  66 - HN    ALA   34  16.96 +/- 2.13   1.252% *  0.1231% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  17.31 +/- 2.36   0.869% *  0.1489% (0.39   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    ALA   34  23.42 +/- 4.99   0.405% *  0.2968% (0.78   0.02   0.02) =   0.002%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.521, support = 1.63, residual support = 2.44:
          HG2   LYS+ 111 - HN    GLU- 114   5.18 +/- 1.06  39.871% * 51.5512% (0.73   0.93   1.81) =  63.315%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.38 +/- 0.32  33.971% * 34.0157% (0.15   2.90   3.63) =  35.596%  kept
          HB3   PRO   93 - HN    GLU- 114   9.98 +/- 2.95  13.386% *  1.1608% (0.76   0.02   0.02) =   0.479%  kept
          HG3   LYS+ 106 - HN    GLU- 114  14.42 +/- 2.21   2.108% *  2.4033% (0.22   0.14   0.02) =   0.156%  kept
          HB2   LEU   63 - HN    GLU- 114  15.12 +/- 2.96   2.904% *  1.4888% (0.98   0.02   0.02) =   0.133%  kept
          HB3   ASP-  44 - HN    GLU- 114  14.04 +/- 2.18   2.297% *  1.5189% (1.00   0.02   0.02) =   0.107%  kept
          QB    ALA  124 - HN    GLU- 114  16.29 +/- 1.27   1.424% *  1.4658% (0.97   0.02   0.02) =   0.064%
          QB    ALA   84 - HN    GLU- 114  16.28 +/- 2.17   1.479% *  1.2162% (0.80   0.02   0.02) =   0.055%
          HB3   LEU   80 - HN    GLU- 114  21.22 +/- 4.43   0.957% *  1.4021% (0.92   0.02   0.02) =   0.041%
          HG    LEU   98 - HN    GLU- 114  20.32 +/- 2.22   0.662% *  1.3622% (0.90   0.02   0.02) =   0.028%
          HB2   LEU   31 - HN    GLU- 114  26.01 +/- 2.48   0.320% *  1.2162% (0.80   0.02   0.02) =   0.012%
          HG2   LYS+  99 - HN    GLU- 114  23.67 +/- 1.93   0.407% *  0.6810% (0.45   0.02   0.02) =   0.009%
          HG2   LYS+  38 - HN    GLU- 114  29.18 +/- 2.23   0.215% *  0.5181% (0.34   0.02   0.02) =   0.003%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    459
      with multiple volume contributions     :    504
      eliminated by violation filter         :     36
 
    Peaks:
      selected                               :   1094
      without assignment                     :     49
      with assignment                        :   1045
      with unique assignment                 :    567
      with multiple assignment               :    478
      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             :    916
 
    Atoms with eliminated volume contribution > 2.5:
    HN    LEU   80       2.8
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.793, support = 3.69, residual support = 47.1:
    * O T HG2   MET   11 - HA    MET   11   3.22 +/- 0.73  41.347% * 70.8328% (1.00  10.0 10.00   4.00  48.10) =  65.944%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.76 +/- 0.19  54.483% * 27.7351% (0.39  10.0 10.00   3.10  45.28) =  34.025%  kept
        T HB2   GLU-  14 - HA    MET   11  10.09 +/- 1.21   1.435% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.023%
        T HG2   MET   11 - HA    GLU-  14  10.87 +/- 1.11   1.004% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   ARG+  54 - HA    MET   11  34.88 +/- 8.17   0.252% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    MET   11  32.25 +/- 6.54   0.321% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    MET   11  36.50 +/- 7.42   0.063% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.66 +/- 5.46   0.084% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  25.28 +/- 4.33   0.137% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  16.77 +/- 4.50   0.458% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  23.23 +/- 4.88   0.142% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.11 +/- 5.34   0.075% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.66 +/- 4.03   0.036% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.97 +/- 3.07   0.069% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  35.78 +/- 5.31   0.033% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.89 +/- 4.09   0.061% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.776, support = 3.68, residual support = 47.1:
    * O T HG3   MET   11 - HA    MET   11   3.26 +/- 0.57  37.910% * 72.0852% (1.00  10.0 10.00   4.00  48.10) =  64.366%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.72 +/- 0.24  56.485% * 26.7596% (0.37  10.0 10.00   3.10  45.28) =  35.601%  kept
        T HB3   GLU-  14 - HA    MET   11  10.25 +/- 1.64   1.603% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.026%
        T HG3   MET   11 - HA    GLU-  14  11.21 +/- 1.10   0.970% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   58 - HA    MET   11  31.04 +/- 6.43   0.341% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.18 +/- 3.00   0.732% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  18.91 +/- 4.39   0.496% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.84 +/- 4.72   0.180% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.39 +/- 2.31   0.765% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.40 +/- 5.40   0.070% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.55 +/- 3.88   0.146% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.94 +/- 4.69   0.216% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.12 +/- 4.90   0.031% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.82 +/- 3.35   0.054% *  0.0079% (0.11   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 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.854, support = 3.83, residual support = 47.0:
    * O T HA    MET   11 - HG2   MET   11   3.22 +/- 0.73  31.655% * 79.8442% (1.00  10.0 10.00   4.00  48.10) =  81.915%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.76 +/- 0.19  40.754% * 12.2922% (0.15  10.0 10.00   3.10  45.28) =  16.236%  kept
          HA    ALA   12 - HG2   MET   11   5.45 +/- 0.99   9.035% *  6.1619% (0.53   1.0  1.00   2.93  11.87) =   1.804%  kept
          HA    ALA   12 - HB2   GLU-  14   7.37 +/- 1.10   2.638% *  0.2624% (0.20   1.0  1.00   0.33   0.02) =   0.022%
        T HA    MET   11 - HB2   GLU-  14  10.09 +/- 1.21   1.064% *  0.2990% (0.37   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU-  14 - HG2   MET   11  10.87 +/- 1.11   0.740% *  0.3282% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HA1   GLY   51 - HB2   ARG+  54   5.29 +/- 0.97   8.832% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   ARG+  54  34.88 +/- 8.17   0.192% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.69 +/- 4.91   0.216% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.25 +/- 6.11   0.083% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.60 +/- 3.24   0.418% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.47 +/- 4.35   0.051% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  36.39 +/- 8.53   0.130% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.06 +/- 4.92   0.137% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  31.26 +/- 7.07   0.305% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  21.07 +/- 3.67   0.124% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.09 +/- 5.03   0.035% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  30.28 +/- 5.58   0.049% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.11 +/- 1.08   1.858% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.66 +/- 5.46   0.064% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  17.31 +/- 3.62   0.237% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.71 +/- 4.27   0.060% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  37.50 +/- 6.28   0.022% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.05 +/- 1.38   0.213% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.59 +/- 4.75   0.085% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.24 +/- 7.31   0.029% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.00 +/- 5.02   0.037% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.94 +/- 4.86   0.237% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  24.10 +/- 5.40   0.193% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.80 +/- 6.13   0.051% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.06 +/- 6.10   0.055% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  24.01 +/- 3.34   0.079% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.64 +/- 3.04   0.079% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.94 +/- 7.12   0.126% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  26.52 +/- 4.02   0.061% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.99 +/- 2.64   0.056% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.846, support = 3.28, residual support = 46.4:
    * O T QB    MET   11 - HG2   MET   11   2.37 +/- 0.14  43.937% * 66.1248% (1.00  10.0 10.00   3.31  48.10) =  80.241%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.37 +/- 0.16  43.979% * 14.0193% (0.21  10.0 10.00   3.28  45.28) =  17.028%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.42 +/- 0.98   5.440% * 17.9811% (0.27   1.0 10.00   2.30   1.56) =   2.702%  kept
        T QG    GLU-  14 - HG2   MET   11   9.78 +/- 1.30   0.859% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QB    MET   11 - HB2   GLU-  14   8.87 +/- 1.36   1.256% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  15 - HG2   MET   11  13.00 +/- 1.63   0.327% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   GLU-  36 - HG2   MET   11  17.73 +/- 6.21   0.538% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   GLU-  36 - HB2   GLU-  14  14.18 +/- 3.80   1.004% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T QB    MET   11 - HB2   ARG+  54  30.81 +/- 7.49   0.287% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE  119 - HB2   ARG+  54  13.67 +/- 2.29   0.317% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  14.82 +/- 3.05   0.256% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  24.98 +/- 3.78   0.048% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.67 +/- 5.56   0.059% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.40 +/- 3.34   0.062% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.11 +/- 4.14   0.037% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.67 +/- 3.48   0.097% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.18 +/- 1.94   0.200% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  15.90 +/- 4.89   0.323% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  29.81 +/- 5.84   0.036% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.64 +/- 4.79   0.018% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  23.76 +/- 5.44   0.078% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  33.10 +/- 4.04   0.019% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.62 +/- 5.40   0.022% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  18.60 +/- 3.86   0.161% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.66 +/- 1.65   0.214% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  36.86 +/- 5.37   0.014% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.73 +/- 4.12   0.033% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  33.09 +/- 5.41   0.029% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  27.20 +/- 4.03   0.036% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.93 +/- 4.60   0.164% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  20.22 +/- 2.44   0.084% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.18 +/- 4.27   0.025% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  25.94 +/- 3.67   0.042% *  0.0038% (0.06   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 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 = 47.4:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.169% * 72.5786% (1.00  10.0 10.00   3.99  48.10) =  73.838%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.170% * 25.7103% (0.35  10.0 10.00   3.00  45.28) =  26.157%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.02 +/- 1.74   0.279% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   MET   11 - HB2   GLU-  14  11.25 +/- 1.40   0.218% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HG2   MET   11  31.54 +/- 6.17   0.039% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  24.03 +/- 5.50   0.067% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  35.25 +/- 8.65   0.083% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  28.59 +/- 6.48   0.023% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.50 +/- 3.34   0.125% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.37 +/- 4.83   0.043% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.22 +/- 2.41   0.194% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  29.78 +/- 5.26   0.016% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.54 +/- 1.45   0.236% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  19.42 +/- 4.02   0.058% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.37 +/- 4.25   0.034% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.48 +/- 3.44   0.026% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  15.65 +/- 4.61   0.135% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  20.27 +/- 2.01   0.036% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  36.47 +/- 4.91   0.007% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.67 +/- 3.64   0.012% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  23.67 +/- 4.26   0.033% *  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 = 0.843, support = 3.82, residual support = 47.0:
    * O T HA    MET   11 - HG3   MET   11   3.26 +/- 0.57  33.145% * 80.7209% (1.00  10.0 10.00   4.00  48.10) =  80.801%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.72 +/- 0.24  48.958% * 11.7818% (0.15  10.0 10.00   3.10  45.28) =  17.420%  kept
          HA    ALA   12 - HG3   MET   11   5.64 +/- 1.08   9.354% *  6.2129% (0.53   1.0  1.00   2.93  11.87) =   1.755%  kept
        T HA    MET   11 - HB3   GLU-  14  10.25 +/- 1.64   1.389% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.012%
        T HA    GLU-  14 - HG3   MET   11  11.21 +/- 1.10   0.836% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HA    ALA   12 - HB3   GLU-  14   7.40 +/- 1.51   3.980% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   39 - HG3   MET   11  20.89 +/- 4.66   0.219% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.65 +/- 2.94   0.464% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.15 +/- 4.78   0.211% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  21.04 +/- 3.90   0.173% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.44 +/- 5.76   0.066% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.69 +/- 4.06   0.059% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  36.60 +/- 8.44   0.124% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  32.28 +/- 4.90   0.041% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  31.48 +/- 6.93   0.250% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  30.45 +/- 5.54   0.055% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.57 +/- 4.32   0.077% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  37.65 +/- 6.24   0.026% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.46 +/- 4.62   0.093% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  36.35 +/- 7.33   0.035% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  30.94 +/- 5.14   0.046% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  24.00 +/- 5.55   0.253% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  29.73 +/- 6.24   0.065% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.04 +/- 6.44   0.079% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.85, support = 3.28, residual support = 46.6:
    * O T QB    MET   11 - HG3   MET   11   2.40 +/- 0.13  44.221% * 67.3911% (1.00  10.0 10.00   3.31  48.10) =  81.036%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.38 +/- 0.15  45.506% * 13.5457% (0.20  10.0 10.00   3.28  45.28) =  16.762%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.45 +/- 0.73   4.594% * 17.3737% (0.26   1.0 10.00   2.17   1.56) =   2.170%  kept
        T QB    MET   11 - HB3   GLU-  14   8.97 +/- 1.89   1.778% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.012%
        T QG    GLU-  14 - HG3   MET   11  10.04 +/- 1.50   0.765% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   GLU-  36 - HG3   MET   11  17.61 +/- 6.10   0.748% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T QG    GLU-  15 - HG3   MET   11  13.35 +/- 1.48   0.305% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   GLU-  36 - HB3   GLU-  14  14.27 +/- 3.91   1.204% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   72 - HB3   GLU-  14  14.80 +/- 3.13   0.287% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.60 +/- 3.12   0.071% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  19.63 +/- 3.67   0.128% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  27.34 +/- 3.92   0.040% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  29.99 +/- 5.86   0.037% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  33.82 +/- 4.58   0.020% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  23.64 +/- 5.38   0.079% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.84 +/- 5.09   0.022% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.06 +/- 5.17   0.015% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  27.70 +/- 4.10   0.036% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  27.12 +/- 3.99   0.043% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  33.33 +/- 5.18   0.027% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.13 +/- 4.47   0.030% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  25.87 +/- 3.57   0.045% *  0.0037% (0.05   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.4:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.511% * 71.8618% (1.00  10.0 10.00   3.99  48.10) =  73.838%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.512% * 25.4564% (0.35  10.0 10.00   3.00  45.28) =  26.157%  kept
        T HB2   GLU-  14 - HG3   MET   11  11.25 +/- 1.40   0.219% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   MET   11 - HB3   GLU-  14  11.02 +/- 1.74   0.281% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - HG3   MET   11  32.95 +/- 6.24   0.036% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG3   MET   11  36.83 +/- 7.95   0.017% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  35.25 +/- 8.65   0.084% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  25.30 +/- 5.38   0.047% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  17.44 +/- 4.96   0.161% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  28.59 +/- 6.48   0.024% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  23.93 +/- 5.05   0.035% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.91 +/- 6.20   0.024% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  34.21 +/- 4.02   0.008% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  26.86 +/- 3.80   0.018% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  36.42 +/- 4.90   0.007% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.77 +/- 4.64   0.015% *  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 = 0.882, support = 3.36, residual support = 46.6:
    * O T HA    MET   11 - QB    MET   11   2.38 +/- 0.14  34.214% * 74.8264% (1.00  10.0 10.00   3.36  48.10) =  85.968%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.52 +/- 0.57  33.453% *  9.9830% (0.13  10.0 10.00   3.60  45.28) =  11.214%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.79 +/- 0.82   6.437% *  7.4162% (0.10   1.0 10.00   2.45   1.56) =   1.603%  kept
          HA    ALA   12 - QB    MET   11   4.06 +/- 0.28   7.470% *  4.5695% (0.53   1.0  1.00   2.32  11.87) =   1.146%  kept
          HA    ALA   12 - QG    GLU-  14   6.31 +/- 1.48   6.081% *  0.2131% (0.17   1.0  1.00   0.33   0.02) =   0.044%
        T HA    GLU-  14 - QB    MET   11   8.75 +/- 1.05   0.892% *  0.3076% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T HA    MET   11 - QG    GLU-  14   8.93 +/- 1.39   0.916% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.007%
        T HA    MET   11 - QG    GLU-  15  12.25 +/- 1.61   0.316% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QB    MET   11  24.68 +/- 4.00   0.040% *  0.7466% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.14 +/- 3.68   0.100% *  0.2423% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  26.65 +/- 5.33   0.056% *  0.4236% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.33 +/- 2.97   0.103% *  0.1800% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG    GLU-  15   9.84 +/- 3.82   1.641% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  13.90 +/- 4.39   2.736% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.04 +/- 6.27   1.056% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.58 +/- 4.33   0.177% *  0.0364% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.72 +/- 1.00   0.653% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  15.55 +/- 5.18   1.152% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.38 +/- 2.97   0.407% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.15 +/- 5.73   0.056% *  0.0691% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.15 +/- 4.30   0.192% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.45 +/- 1.29   0.545% *  0.0045% (0.06   1.0  1.00   0.02   0.99) =   0.000%
          HB    THR   77 - QB    MET   11  28.04 +/- 4.58   0.030% *  0.0733% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.07 +/- 4.28   0.099% *  0.0224% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  27.24 +/- 6.09   0.167% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.95 +/- 6.02   0.019% *  0.0733% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  27.22 +/- 2.26   0.026% *  0.0528% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  32.09 +/- 7.17   0.048% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.12 +/- 4.20   0.051% *  0.0238% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  22.28 +/- 4.77   0.079% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  31.81 +/- 7.03   0.024% *  0.0364% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.07 +/- 3.52   0.049% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.28 +/- 4.91   0.043% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.82 +/- 3.76   0.088% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.03 +/- 6.16   0.081% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  28.12 +/- 4.96   0.029% *  0.0238% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.63 +/- 3.57   0.054% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  27.09 +/- 5.85   0.039% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.62 +/- 1.31   0.043% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  27.04 +/- 5.58   0.038% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  21.61 +/- 4.83   0.082% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.14 +/- 4.24   0.036% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.30 +/- 2.38   0.023% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  20.67 +/- 3.28   0.070% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  31.14 +/- 4.19   0.018% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  28.91 +/- 6.04   0.028% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  34.47 +/- 4.49   0.015% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  27.71 +/- 3.89   0.029% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.821, support = 3.28, residual support = 46.4:
    * O T HG2   MET   11 - QB    MET   11   2.37 +/- 0.14  43.950% * 62.8007% (1.00  10.0 10.00   3.31  48.10) =  73.837%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.37 +/- 0.16  43.993% * 20.3350% (0.32  10.0 10.00   3.28  45.28) =  23.932%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.42 +/- 0.98   5.442% * 15.1066% (0.24   1.0 10.00   2.30   1.56) =   2.199%  kept
        T HB2   GLU-  14 - QB    MET   11   8.87 +/- 1.36   1.257% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.021%
        T HG2   MET   11 - QG    GLU-  14   9.78 +/- 1.30   0.859% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  14 - HG3   GLU-  36  14.18 +/- 3.80   1.004% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - QG    GLU-  15  13.00 +/- 1.63   0.327% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HG3   GLU-  36  17.73 +/- 6.21   0.538% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - QB    MET   11  30.81 +/- 7.49   0.287% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QB    MET   11  28.44 +/- 5.73   0.218% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  32.21 +/- 6.75   0.050% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  15.57 +/- 4.47   0.517% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  20.27 +/- 4.52   0.142% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  28.85 +/- 3.13   0.029% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.62 +/- 4.65   0.109% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  13.88 +/- 4.58   0.512% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  25.67 +/- 5.56   0.059% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  33.74 +/- 4.87   0.026% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  24.98 +/- 3.78   0.048% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.99 +/- 5.37   0.057% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.79 +/- 3.02   0.070% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.84 +/- 4.38   0.061% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  29.67 +/- 3.76   0.027% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  24.27 +/- 3.63   0.055% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  22.72 +/- 3.00   0.055% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  33.10 +/- 4.04   0.019% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  20.31 +/- 3.86   0.110% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  31.51 +/- 4.91   0.023% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  23.75 +/- 4.28   0.062% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.12 +/- 4.15   0.041% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  29.27 +/- 1.95   0.024% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.61 +/- 3.29   0.028% *  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 = 0.823, support = 3.28, residual support = 46.6:
    * O T HG3   MET   11 - QB    MET   11   2.40 +/- 0.13  42.504% * 64.2177% (1.00  10.0 10.00   3.31  48.10) =  74.619%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.38 +/- 0.15  43.742% * 19.7139% (0.31  10.0 10.00   3.28  45.28) =  23.574%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.45 +/- 0.73   4.416% * 14.6452% (0.23   1.0 10.00   2.17   1.56) =   1.768%  kept
        T HB3   GLU-  14 - QB    MET   11   8.97 +/- 1.89   1.709% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.028%
        T HG3   MET   11 - QG    GLU-  14  10.04 +/- 1.50   0.736% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   GLU-  14 - HG3   GLU-  36  14.27 +/- 3.91   1.155% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   MET   11 - HG3   GLU-  36  17.61 +/- 6.10   0.718% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   MET   11 - QG    GLU-  15  13.35 +/- 1.48   0.293% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - QB    MET   11  27.37 +/- 5.57   0.194% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.81 +/- 3.26   1.112% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.97 +/- 4.19   0.169% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.52 +/- 3.97   0.281% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.80 +/- 4.99   0.063% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.72 +/- 3.74   0.038% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.07 +/- 2.93   0.309% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  10.47 +/- 2.07   0.696% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.30 +/- 2.52   0.513% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.98 +/- 3.73   0.170% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.37 +/- 2.77   0.041% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.43 +/- 3.95   0.107% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.39 +/- 4.87   0.162% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.01 +/- 1.81   0.266% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.70 +/- 3.31   0.090% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.97 +/- 1.19   0.379% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  31.92 +/- 4.31   0.022% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  21.73 +/- 2.38   0.064% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  27.56 +/- 3.59   0.033% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.02 +/- 2.50   0.020% *  0.0022% (0.03   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 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  97.647% * 99.1918% (0.82  10.0 10.00   2.00  12.48) =  99.998%  kept
          HG3   LYS+  33 - HA    ALA   12  15.06 +/- 3.97   1.147% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ALA   12  19.64 +/- 4.39   0.230% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.69 +/- 4.85   0.205% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  22.47 +/- 3.51   0.125% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  22.23 +/- 4.30   0.119% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.16 +/- 4.72   0.222% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.18 +/- 6.78   0.085% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.94 +/- 4.56   0.044% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.79 +/- 5.67   0.035% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  29.17 +/- 6.89   0.066% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  30.88 +/- 4.64   0.039% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.28 +/- 3.60   0.036% *  0.0142% (0.12   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 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   2.13 +/- 0.02  81.225% * 95.6377% (0.82  10.0 10.00   2.00  12.48) =  99.281%  kept
          HA    MET   11 - QB    ALA   12   3.84 +/- 0.17  14.069% *  3.9642% (0.24   1.0  1.00   2.88  11.87) =   0.713%  kept
          HA    GLU-  14 - QB    ALA   12   6.03 +/- 0.74   4.261% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.006%
          HA    LEU  104 - QB    ALA   12  24.93 +/- 5.01   0.101% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.29 +/- 6.30   0.064% *  0.0989% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.81 +/- 3.50   0.105% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.88 +/- 5.79   0.062% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  24.96 +/- 3.98   0.067% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  29.34 +/- 5.28   0.045% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.861, support = 2.11, residual support = 12.7:
    * O T QB    SER   13 - HA    SER   13   2.45 +/- 0.10  49.148% * 63.6107% (1.00  10.0 10.00   1.93   6.18) =  71.938%  kept
      O T HB3   SER   37 - HA    SER   37   2.70 +/- 0.24  37.602% * 32.1540% (0.51  10.0 10.00   2.58  29.74) =  27.821%  kept
          HB    THR   39 - HA    SER   37   5.81 +/- 0.98   4.638% *  2.0290% (0.53   1.0  1.00   1.20   4.17) =   0.217%  kept
        T HB3   SER   37 - HA    SER   13  13.13 +/- 3.29   0.856% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T QB    SER   13 - HA    SER   37  12.54 +/- 3.08   0.885% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.007%
          HB3   SER   82 - HA    THR   46  15.59 +/- 3.38   2.423% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - HA    THR   46  10.26 +/- 1.60   0.883% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  24.06 +/- 3.47   0.066% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  14.79 +/- 3.42   0.390% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.05 +/- 1.61   0.055% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.63 +/- 1.88   1.099% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.34 +/- 2.31   0.420% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  13.87 +/- 2.77   0.405% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.80 +/- 1.20   0.653% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.21 +/- 1.77   0.083% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.64 +/- 6.93   0.042% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.66 +/- 4.41   0.030% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  29.58 +/- 3.81   0.034% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.91 +/- 4.93   0.041% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  28.46 +/- 2.79   0.034% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.94 +/- 4.04   0.053% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.41 +/- 2.04   0.093% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  32.33 +/- 5.62   0.034% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  31.98 +/- 4.81   0.033% *  0.0116% (0.18   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 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.864, support = 2.12, residual support = 13.0:
    * O T HA    SER   13 - QB    SER   13   2.45 +/- 0.10  46.788% * 63.8850% (1.00  10.0 10.00   1.93   6.18) =  71.161%  kept
      O T HA    SER   37 - HB3   SER   37   2.70 +/- 0.24  35.791% * 33.8056% (0.53  10.0 10.00   2.58  29.74) =  28.805%  kept
        T HA    SER   13 - HB3   SER   37  13.13 +/- 3.29   0.813% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.012%
        T HA    SER   37 - QB    SER   13  12.54 +/- 3.08   0.840% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLU-  15 - QB    SER   13   6.61 +/- 0.94   3.003% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - HB3   SER   37   9.72 +/- 3.34   1.893% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   SER   37   8.55 +/- 0.89   1.495% *  0.0565% (0.88   1.0  1.00   0.02   0.49) =   0.002%
          HA    GLN   17 - QB    SER   13   9.69 +/- 1.67   1.125% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.39 +/- 0.67   3.057% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QB    SER   13  16.17 +/- 3.71   0.498% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.06 +/- 3.47   0.063% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.05 +/- 1.61   0.052% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  12.30 +/- 2.31   0.484% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  12.54 +/- 4.20   1.640% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  14.79 +/- 4.17   0.855% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.50 +/- 5.48   1.113% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.20 +/- 4.11   0.131% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.07 +/- 3.09   0.091% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  25.33 +/- 7.33   0.095% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  26.08 +/- 5.01   0.065% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  26.04 +/- 3.97   0.068% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.60 +/- 2.75   0.041% *  0.0149% (0.23   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 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 = 0.86, support = 3.3, residual support = 45.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.76 +/- 0.19  52.835% * 70.8449% (1.00  10.0 10.00   3.10  45.28) =  77.071%  kept
      O T HG2   MET   11 - HA    MET   11   3.22 +/- 0.73  40.102% * 27.7398% (0.39  10.0 10.00   4.00  48.10) =  22.905%  kept
        T HG2   MET   11 - HA    GLU-  14  10.87 +/- 1.11   0.973% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   GLU-  14 - HA    MET   11  10.09 +/- 1.21   1.393% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.008%
          QB    GLN   32 - HA    GLU-  14  13.88 +/- 4.10   2.397% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HA    MET   11  34.88 +/- 8.17   0.244% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  16.77 +/- 4.50   0.444% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  25.28 +/- 4.33   0.133% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.66 +/- 5.46   0.081% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.25 +/- 6.54   0.312% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.11 +/- 5.34   0.072% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.33 +/- 5.09   0.713% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.97 +/- 3.07   0.067% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.50 +/- 7.42   0.061% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  23.23 +/- 4.88   0.137% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.66 +/- 4.03   0.035% *  0.0104% (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 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.869, support = 3.41, residual support = 39.9:
    * O T QG    GLU-  14 - HA    GLU-  14   2.52 +/- 0.57  41.188% * 45.0668% (1.00  10.0 10.00   3.60  45.28) =  70.381%  kept
      O T QB    MET   11 - HA    MET   11   2.38 +/- 0.14  42.551% * 10.0127% (0.22  10.0 10.00   3.36  48.10) =  16.154%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.79 +/- 0.82   8.149% * 43.4925% (0.97   1.0 10.00   2.45   1.56) =  13.438%  kept
        T QB    MET   11 - HA    GLU-  14   8.75 +/- 1.05   1.125% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.011%
        T QG    GLU-  14 - HA    MET   11   8.93 +/- 1.39   1.189% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  15 - HA    MET   11  12.25 +/- 1.61   0.396% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HA    GLU-  14  15.22 +/- 3.79   4.555% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   ASP-  44 - HA    GLU-  14  19.74 +/- 2.89   0.088% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  14  14.70 +/- 2.49   0.246% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.81 +/- 4.35   0.040% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.90 +/- 4.00   0.034% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  19.01 +/- 5.18   0.245% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.90 +/- 3.72   0.073% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  25.84 +/- 3.08   0.041% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  33.42 +/- 4.91   0.020% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  32.67 +/- 5.02   0.024% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.58 +/- 3.65   0.023% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  36.80 +/- 5.19   0.014% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.903, support = 3.19, residual support = 45.2:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.76 +/- 0.19  46.303% * 80.7099% (1.00  10.0 10.00   3.10  45.28) =  88.331%  kept
      O T HA    MET   11 - HG2   MET   11   3.22 +/- 0.73  35.650% * 12.4255% (0.15  10.0 10.00   4.00  48.10) =  10.470%  kept
          HA    ALA   12 - HG2   MET   11   5.45 +/- 0.99  10.608% *  4.3456% (0.37   1.0  1.00   2.93  11.87) =   1.090%  kept
          HA    ALA   12 - HB2   GLU-  14   7.37 +/- 1.10   2.977% *  1.3199% (0.98   1.0  1.00   0.33   0.02) =   0.093%
        T HA    MET   11 - HB2   GLU-  14  10.09 +/- 1.21   1.218% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU-  14 - HG2   MET   11  10.87 +/- 1.11   0.843% *  0.3022% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T HA    MET   11 - HB2   ARG+  54  34.88 +/- 8.17   0.216% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  24.96 +/- 5.15   0.139% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.66 +/- 5.46   0.072% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.80 +/- 6.13   0.058% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  21.07 +/- 3.67   0.141% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.06 +/- 4.92   0.157% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.15 +/- 6.32   0.087% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.71 +/- 4.27   0.068% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.94 +/- 7.12   0.141% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.05 +/- 1.38   0.242% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.00 +/- 5.02   0.042% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.12 +/- 3.44   0.108% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  17.31 +/- 3.62   0.269% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.24 +/- 7.31   0.033% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.99 +/- 2.64   0.065% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  28.90 +/- 5.87   0.066% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.47 +/- 4.35   0.058% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.25 +/- 6.11   0.093% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.09 +/- 5.03   0.039% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  24.01 +/- 3.34   0.090% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.64 +/- 3.04   0.089% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  37.50 +/- 6.28   0.025% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  35.92 +/- 6.72   0.031% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  24.23 +/- 1.89   0.072% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 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 = 0.871, support = 3.2, residual support = 41.8:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.37 +/- 0.16  44.374% * 45.4322% (1.00  10.0 10.00   3.28  45.28) =  75.101%  kept
      O T QB    MET   11 - HG2   MET   11   2.37 +/- 0.14  44.332% *  9.6322% (0.21  10.0 10.00   3.31  48.10) =  15.907%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.42 +/- 0.98   5.491% * 43.8452% (0.97   1.0 10.00   2.30   1.56) =   8.969%  kept
        T QB    MET   11 - HB2   GLU-  14   8.87 +/- 1.36   1.268% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.012%
        T QG    GLU-  14 - HG2   MET   11   9.78 +/- 1.30   0.867% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.005%
        T QG    GLU-  15 - HG2   MET   11  13.00 +/- 1.63   0.330% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE  119 - HB2   ARG+  54  13.67 +/- 2.29   0.320% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU-  14  14.99 +/- 3.29   1.044% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  14.82 +/- 3.05   0.258% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  30.81 +/- 7.49   0.290% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.67 +/- 3.48   0.098% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.67 +/- 5.56   0.059% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  24.98 +/- 3.78   0.048% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.73 +/- 4.12   0.033% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.18 +/- 1.94   0.202% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  25.94 +/- 3.67   0.042% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.40 +/- 3.34   0.063% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  18.60 +/- 3.86   0.163% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  19.40 +/- 4.78   0.138% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.11 +/- 4.14   0.037% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  20.22 +/- 2.44   0.085% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  15.49 +/- 4.74   0.334% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  33.09 +/- 5.41   0.029% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.64 +/- 4.79   0.018% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.43 +/- 3.99   0.024% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.49 +/- 4.48   0.038% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  37.18 +/- 5.23   0.013% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.89, support = 3.41, residual support = 39.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.52 +/- 0.57  36.430% * 47.7841% (1.00  10.0 10.00   3.60  45.28) =  75.856%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.79 +/- 0.82   7.051% * 42.0427% (0.88   1.0 10.00   2.45   1.56) =  12.917%  kept
      O T HA    MET   11 - QB    MET   11   2.38 +/- 0.14  37.268% *  6.3751% (0.13  10.0 10.00   3.36  48.10) =  10.353%  kept
          HA    ALA   12 - QB    MET   11   4.06 +/- 0.28   8.145% *  1.7643% (0.32   1.0  1.00   2.32  11.87) =   0.626%  kept
          HA    ALA   12 - QG    GLU-  14   6.31 +/- 1.48   6.621% *  0.7814% (0.98   1.0  1.00   0.33   0.02) =   0.225%  kept
        T HA    MET   11 - QG    GLU-  14   8.93 +/- 1.39   0.997% *  0.1964% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLU-  14 - QB    MET   11   8.75 +/- 1.05   0.971% *  0.1551% (0.32   1.0 10.00   0.02   0.02) =   0.007%
        T HA    MET   11 - QG    GLU-  15  12.25 +/- 1.61   0.344% *  0.1728% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   12 - QG    GLU-  15   9.72 +/- 1.00   0.711% *  0.0412% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.14 +/- 3.68   0.110% *  0.1793% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.33 +/- 2.97   0.113% *  0.1578% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG    GLU-  15  25.03 +/- 6.16   0.088% *  0.0417% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.93 +/- 4.06   0.105% *  0.0337% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.72 +/- 4.31   0.079% *  0.0383% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.68 +/- 4.00   0.044% *  0.0582% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  27.09 +/- 5.85   0.042% *  0.0474% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.15 +/- 4.30   0.209% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.07 +/- 4.28   0.108% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.12 +/- 4.20   0.056% *  0.0147% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.07 +/- 3.52   0.053% *  0.0130% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  23.97 +/- 5.80   0.117% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.28 +/- 4.91   0.047% *  0.0130% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  27.84 +/- 5.67   0.048% *  0.0124% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  28.12 +/- 4.96   0.031% *  0.0147% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  31.81 +/- 7.03   0.027% *  0.0154% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  26.26 +/- 5.43   0.047% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.15 +/- 5.73   0.061% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  28.04 +/- 4.58   0.033% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.95 +/- 6.02   0.021% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.43 +/- 6.43   0.025% *  0.0021% (0.04   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 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 = 0.843, support = 3.21, residual support = 43.1:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.38 +/- 0.15  45.621% * 45.1588% (1.00  10.0 10.00   3.28  45.28) =  72.071%  kept
      O T HG3   MET   11 - QB    MET   11   2.40 +/- 0.13  44.335% * 13.8631% (0.31  10.0 10.00   3.31  48.10) =  21.501%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.45 +/- 0.73   4.606% * 39.7329% (0.88   1.0 10.00   2.17   1.56) =   6.402%  kept
        T HG3   MET   11 - QG    GLU-  14  10.04 +/- 1.50   0.767% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   GLU-  14 - QB    MET   11   8.97 +/- 1.89   1.782% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   MET   11 - QG    GLU-  15  13.35 +/- 1.48   0.306% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU   40 - QG    GLU-  15  11.81 +/- 3.26   1.162% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG    GLU-  14  15.07 +/- 2.93   0.322% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.98 +/- 3.73   0.178% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.43 +/- 3.95   0.112% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.72 +/- 3.74   0.039% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.37 +/- 2.77   0.042% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.39 +/- 4.87   0.169% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.97 +/- 4.19   0.176% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.70 +/- 3.31   0.094% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.80 +/- 4.99   0.066% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.37 +/- 5.57   0.202% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  31.92 +/- 4.31   0.023% *  0.0023% (0.05   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 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 = 2.18, residual support = 8.87:
    * O T QG    GLU-  15 - HA    GLU-  15   2.62 +/- 0.60  60.798% * 49.8424% (1.00  10.0 10.00   2.11  10.23) =  84.257%  kept
        T QG    GLU-  14 - HA    GLU-  15   5.06 +/- 0.60  11.692% * 48.1014% (0.97   1.0 10.00   2.61   1.56) =  15.637%  kept
        T QG    GLU-  15 - HA    LEU   40  11.55 +/- 3.32   4.554% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.051%
        T QB    MET   11 - HA    GLU-  15  11.25 +/- 1.52   1.720% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.017%
        T QG    GLU-  14 - HA    LEU   40  14.94 +/- 3.11   0.996% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.011%
        T QG    GLU-  15 - HA    ASN   35  11.26 +/- 2.82   2.828% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PHE   72 - HA    LEU   40   6.65 +/- 1.07   6.117% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.006%
        T QG    GLU-  14 - HA    ASN   35  14.36 +/- 3.49   1.311% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QB    MET   11 - HA    LEU   40  19.74 +/- 4.46   0.377% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   72 - HA    GLU-  15  11.57 +/- 3.07   2.028% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T QB    MET   11 - HA    ASN   35  17.50 +/- 5.42   0.952% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HA    LEU   40  12.84 +/- 1.24   0.831% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  17.13 +/- 3.03   0.444% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    LEU   40  17.95 +/- 4.30   0.680% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  13.58 +/- 3.05   1.382% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  11.95 +/- 1.40   0.945% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  21.21 +/- 1.74   0.179% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  25.66 +/- 4.00   0.119% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.73 +/- 1.78   0.441% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  23.53 +/- 2.95   0.128% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.63 +/- 1.29   0.242% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.67 +/- 0.43   0.730% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  25.59 +/- 2.70   0.106% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.95 +/- 3.94   0.161% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.75 +/- 1.52   0.106% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  28.23 +/- 3.32   0.076% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  29.34 +/- 2.39   0.059% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 3.04, residual support = 9.86:
    * O T QB    GLU-  15 - HA    GLU-  15   2.39 +/- 0.17  54.726% * 73.9927% (1.00  10.0 10.00   3.13  10.23) =  96.321%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.39 +/- 0.83   6.518% * 23.0188% (1.00   1.0 10.00   0.62   0.02) =   3.569%  kept
        T QB    GLU-  15 - HA    LEU   40  11.83 +/- 3.63   5.092% *  0.5984% (0.81   1.0 10.00   0.02   0.02) =   0.072%
        T HB2   GLN   17 - HA    LEU   40  13.61 +/- 3.60   0.923% *  0.5984% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - HA    GLU-  15  14.91 +/- 4.79   0.649% *  0.5925% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   PRO   68 - HA    LEU   40  13.70 +/- 1.59   0.395% *  0.4791% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   7.84 +/- 1.64   3.389% *  0.0419% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HA    LEU   40   8.98 +/- 4.35   2.826% *  0.0133% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  15   9.75 +/- 1.70   1.147% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ASN   35  10.22 +/- 5.37  10.551% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  11.73 +/- 2.35   0.875% *  0.0339% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    ASN   35  15.76 +/- 3.49   1.847% *  0.0137% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ASN   35  11.53 +/- 2.74   1.541% *  0.0137% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  11.99 +/- 2.46   0.827% *  0.0246% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.75 +/- 1.86   0.508% *  0.0291% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  15.07 +/- 4.10   0.409% *  0.0360% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.51 +/- 4.24   1.858% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  10.68 +/- 2.00   0.918% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.06 +/- 4.03   1.062% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  18.54 +/- 2.33   0.156% *  0.0700% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  11.09 +/- 1.64   0.786% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.55 +/- 1.84   0.101% *  0.0566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.34 +/- 4.65   0.307% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  19.59 +/- 1.98   0.118% *  0.0387% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  23.56 +/- 3.24   0.072% *  0.0593% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.02 +/- 1.70   0.456% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.41 +/- 1.07   0.580% *  0.0056% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  29.90 +/- 4.18   0.039% *  0.0733% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  25.78 +/- 3.45   0.056% *  0.0479% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  19.28 +/- 4.52   0.176% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.30 +/- 0.91   0.761% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.85 +/- 0.76   0.120% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  24.90 +/- 3.32   0.066% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  25.13 +/- 1.92   0.052% *  0.0089% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.76 +/- 3.12   0.032% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  25.14 +/- 4.29   0.065% *  0.0024% (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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.98, support = 2.18, residual support = 8.95:
    * O T HA    GLU-  15 - QG    GLU-  15   2.62 +/- 0.60  43.109% * 48.6381% (1.00  10.0 10.00   2.11  10.23) =  83.786%  kept
        T HA    GLU-  15 - QG    GLU-  14   5.06 +/- 0.60   7.760% * 42.7941% (0.88   1.0 10.00   2.61   1.56) =  13.270%  kept
          HA    SER   13 - QG    GLU-  14   4.73 +/- 0.70  11.774% *  5.4409% (0.88   1.0  1.00   2.54   6.64) =   2.560%  kept
          HA    SER   13 - QG    GLU-  15   7.09 +/- 0.96   4.885% *  1.4311% (1.00   1.0  1.00   0.59   0.02) =   0.279%  kept
        T HA    LEU   40 - QG    GLU-  15  11.55 +/- 3.32   3.080% *  0.4601% (0.95   1.0 10.00   0.02   0.02) =   0.057%
        T HA    LEU   40 - QG    GLU-  14  14.94 +/- 3.11   0.664% *  0.4048% (0.83   1.0 10.00   0.02   0.02) =   0.011%
        T HA    ASN   35 - QG    GLU-  15  11.26 +/- 2.82   1.827% *  0.1083% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          HA    SER   37 - QG    GLU-  15   9.29 +/- 3.76   5.250% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.006%
        T HA    GLU-  15 - QB    MET   11  11.25 +/- 1.52   1.140% *  0.1173% (0.24   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLN   17 - QG    GLU-  15   6.72 +/- 0.37   3.362% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - QG    GLU-  14  14.36 +/- 3.49   0.858% *  0.0953% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  14   8.07 +/- 1.20   2.820% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - QB    MET   11   6.06 +/- 0.67   5.558% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QG    GLU-  14  12.55 +/- 3.07   1.985% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - QB    MET   11  19.74 +/- 4.46   0.257% *  0.1109% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - QB    MET   11  17.50 +/- 5.42   0.637% *  0.0261% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - QB    MET   11  15.25 +/- 4.94   1.395% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  20.10 +/- 4.83   0.202% *  0.0427% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  19.38 +/- 3.26   0.149% *  0.0485% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  14.95 +/- 4.20   0.938% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  22.19 +/- 4.27   0.187% *  0.0277% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  20.98 +/- 2.97   0.124% *  0.0315% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.97 +/- 4.23   0.478% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  14.28 +/- 1.99   0.383% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  23.26 +/- 5.45   0.152% *  0.0166% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  26.09 +/- 5.51   0.180% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  24.54 +/- 4.77   0.123% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  23.24 +/- 2.84   0.080% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  24.23 +/- 4.49   0.086% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.65 +/- 6.10   0.187% *  0.0029% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  27.53 +/- 4.71   0.072% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  22.85 +/- 6.03   0.253% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  29.48 +/- 6.47   0.047% *  0.0040% (0.08   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 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 4.04, residual support = 82.2:
    * O T HB2   GLN   17 - HA    GLN   17   2.69 +/- 0.20  73.857% * 78.9846% (1.00  10.0 10.00   4.14  84.39) =  97.449%  kept
        T HB3   PRO   68 - HA    GLN   17  11.52 +/- 4.96   8.672% * 12.2696% (0.80   1.0 10.00   0.39   0.02) =   1.777%  kept
        T QB    GLU-  15 - HA    GLN   17   6.64 +/- 0.42   5.473% *  8.3809% (1.00   1.0 10.00   0.21   0.02) =   0.766%  kept
          HB    ILE   19 - HA    GLN   17   7.75 +/- 0.86   3.948% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HA    GLN   17  11.60 +/- 4.02   2.952% *  0.0384% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLN   17  10.71 +/- 1.76   1.903% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  19.19 +/- 3.01   0.381% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  11.60 +/- 1.83   1.392% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  19.08 +/- 5.49   0.867% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  22.08 +/- 3.91   0.201% *  0.0511% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  25.69 +/- 4.49   0.117% *  0.0783% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  20.53 +/- 3.70   0.238% *  0.0138% (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 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T QG    GLN   17 - HA    GLN   17   2.58 +/- 0.55  90.510% * 98.5118% (0.76  10.0 10.00   4.31  84.39) =  99.925%  kept
        T HB    VAL   70 - HA    GLN   17   9.30 +/- 3.67   5.965% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.072%
          HB2   MET   96 - HA    GLN   17  17.23 +/- 4.93   0.912% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLN   17  18.38 +/- 5.19   1.260% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  17.32 +/- 4.27   0.545% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  18.59 +/- 3.10   0.401% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  19.91 +/- 4.34   0.407% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.213, support = 3.52, residual support = 47.6:
    * O T HA    GLN   17 - HB2   GLN   17   2.69 +/- 0.20  30.348% * 42.4045% (0.24  10.0 10.00   4.14  84.39) =  51.035%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.39 +/- 0.17  41.299% * 26.9469% (0.15  10.0 10.00   3.13  10.23) =  44.133%  kept
        T HA    GLN   17 - HB3   PRO   68  11.52 +/- 4.96   3.985% * 20.6399% (0.61   1.0 10.00   0.39   0.02) =   3.262%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.39 +/- 0.83   4.919% *  7.4686% (0.14   1.0 10.00   0.62   0.02) =   1.457%  kept
        T HA    GLN   17 - QB    GLU-  15   6.64 +/- 0.42   1.995% *  0.4760% (0.27   1.0 10.00   0.02   0.02) =   0.038%
        T HA    LEU   40 - QB    GLU-  15  11.83 +/- 3.63   4.358% *  0.1786% (0.10   1.0 10.00   0.02   0.02) =   0.031%
          HA    THR   46 - HB3   PRO   68  18.75 +/- 5.25   2.884% *  0.1055% (0.60   1.0  1.00   0.02   0.02) =   0.012%
        T HA    GLU-  15 - HB3   PRO   68  14.91 +/- 4.79   0.440% *  0.6023% (0.34   1.0 10.00   0.02   0.02) =   0.011%
        T HA    LEU   40 - HB2   GLN   17  13.61 +/- 3.60   0.741% *  0.1591% (0.09   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - HB3   PRO   68  13.70 +/- 1.59   0.267% *  0.3993% (0.23   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   37 - QB    GLU-  15   9.45 +/- 3.59   1.886% *  0.0476% (0.27   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - QB    GLU-  15   6.22 +/- 1.04   3.263% *  0.0269% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - HB3   PRO   68  16.70 +/- 3.81   0.261% *  0.1064% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   GLN   17   9.62 +/- 1.45   1.032% *  0.0240% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   GLN   17  14.30 +/- 2.37   0.349% *  0.0424% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  14.52 +/- 1.65   0.213% *  0.0645% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   GLN   17  16.78 +/- 4.61   0.543% *  0.0223% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.39 +/- 3.90   0.399% *  0.0257% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.37 +/- 2.14   0.158% *  0.0560% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  14.56 +/- 3.51   0.267% *  0.0289% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  19.08 +/- 4.02   0.127% *  0.0602% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  19.33 +/- 3.44   0.094% *  0.0420% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  21.34 +/- 2.99   0.064% *  0.0472% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.60 +/- 3.23   0.109% *  0.0250% (0.14   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 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.204, support = 4.2, residual support = 78.5:
    * O T QG    GLN   17 - HB2   GLN   17   2.37 +/- 0.12  75.498% * 38.7922% (0.18  10.0 10.00   4.46  84.39) =  92.978%  kept
        T HB    VAL   70 - HB3   PRO   68   7.38 +/- 1.02   3.544% * 51.2265% (0.51   1.0 10.00   0.96   0.02) =   5.763%  kept
        T QG    GLN   17 - QB    GLU-  15   5.86 +/- 0.90   6.432% *  4.6201% (0.21   1.0 10.00   0.21   0.02) =   0.943%  kept
        T QG    GLN   17 - HB3   PRO   68  10.93 +/- 4.39   8.148% *  0.9733% (0.46   1.0 10.00   0.02   0.02) =   0.252%  kept
        T HB    VAL   70 - QB    GLU-  15  12.17 +/- 3.11   1.054% *  0.4759% (0.23   1.0 10.00   0.02   0.02) =   0.016%
        T HB    VAL   70 - HB2   GLN   17  10.72 +/- 2.45   1.104% *  0.4240% (0.20   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   GLU- 100 - QB    GLU-  15  15.80 +/- 4.44   0.912% *  0.3686% (0.18   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   GLU- 100 - HB3   PRO   68  19.77 +/- 4.05   0.189% *  0.8239% (0.39   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - HB2   GLN   17  17.90 +/- 3.48   0.385% *  0.3284% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   GLU- 100 - HB2   GLN   17  19.54 +/- 4.90   0.374% *  0.3284% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  25 - QB    GLU-  15  16.77 +/- 2.34   0.263% *  0.3686% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  25 - HB3   PRO   68  24.36 +/- 4.23   0.099% *  0.8239% (0.39   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - HB3   PRO   68  18.19 +/- 2.64   0.294% *  0.1262% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  18.62 +/- 3.11   0.204% *  0.0721% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  18.50 +/- 3.88   0.252% *  0.0565% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  18.46 +/- 3.94   0.271% *  0.0503% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  19.87 +/- 4.11   0.223% *  0.0434% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  17.08 +/- 3.54   0.258% *  0.0287% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  18.89 +/- 3.21   0.180% *  0.0323% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.55 +/- 3.88   0.172% *  0.0173% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  21.24 +/- 3.37   0.145% *  0.0194% (0.09   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 84.0:
    * O T HA    GLN   17 - QG    GLN   17   2.58 +/- 0.55  55.459% * 98.3821% (0.76  10.0 10.00   4.31  84.39) =  99.586%  kept
          HA    GLU-  15 - QG    GLN   17   5.00 +/- 1.16  23.137% *  0.9231% (0.43   1.0  1.00   0.33   0.02) =   0.390%  kept
        T HA    GLN   17 - HB    VAL   70   9.30 +/- 3.67   3.274% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.012%
          HA    SER   13 - QG    GLN   17   8.30 +/- 1.92   3.434% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QG    GLN   17  12.69 +/- 2.29   1.909% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    PRO   58 - QG    GLN   17  15.38 +/- 4.12   1.282% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG    GLN   17  12.13 +/- 3.44   1.640% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   17  12.95 +/- 3.81   0.818% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   7.97 +/- 1.85   3.589% *  0.0122% (0.09   1.0  1.00   0.02   0.57) =   0.001%
          HA    THR   46 - QG    GLN   17  17.41 +/- 3.62   0.272% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   8.15 +/- 1.06   2.416% *  0.0076% (0.06   1.0  1.00   0.02  36.27) =   0.000%
          HA    THR   46 - HB    VAL   70  15.03 +/- 2.83   0.656% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.80 +/- 2.38   0.559% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  12.72 +/- 3.09   0.835% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.08 +/- 1.38   0.514% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  18.06 +/- 2.07   0.206% *  0.0114% (0.09   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 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.763, support = 4.45, residual support = 84.2:
    * O T HB2   GLN   17 - QG    GLN   17   2.37 +/- 0.12  60.450% * 95.9708% (0.76  10.0 10.00   4.46  84.39) =  99.797%  kept
        T HB3   PRO   68 - QG    GLN   17  10.93 +/- 4.39   6.573% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.087%
        T QB    GLU-  15 - QG    GLN   17   5.86 +/- 0.90   5.154% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.085%
        T HB3   PRO   68 - HB    VAL   70   7.38 +/- 1.02   2.755% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   GLU-  25 - QG    GLN   17  16.75 +/- 3.18   0.311% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   19 - QG    GLN   17   7.05 +/- 1.19   3.886% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   GLU- 100 - QG    GLN   17  17.92 +/- 5.30   0.870% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLN   17 - HB    VAL   70  10.72 +/- 2.45   0.884% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T QB    GLU-  15 - HB    VAL   70  12.17 +/- 3.11   0.846% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG    GLN   17  11.21 +/- 3.42   2.001% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HB    VAL   70   6.43 +/- 1.70   8.062% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QG    GLN   17   9.60 +/- 1.99   1.492% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU-  25 - HB    VAL   70  20.75 +/- 2.18   0.107% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  10.55 +/- 1.74   0.966% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.52 +/- 2.23   1.558% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  16.09 +/- 3.74   0.287% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.80 +/- 1.94   1.021% *  0.0111% (0.09   1.0  1.00   0.02   0.11) =   0.000%
          QB    GLU- 114 - QG    GLN   17  20.77 +/- 3.32   0.145% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  24.05 +/- 3.92   0.085% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.27 +/- 2.38   1.609% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.81 +/- 3.84   0.147% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  19.51 +/- 3.47   0.169% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  17.50 +/- 2.93   0.222% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  16.21 +/- 3.54   0.401% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 77.0:
    * O T HB    VAL   18 - HA    VAL   18   2.55 +/- 0.28  91.505% * 99.6862% (1.00  10.0 10.00   3.55  77.03) =  99.994%  kept
          HB2   LEU   67 - HA    VAL   18   9.10 +/- 3.72   4.896% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   40 - HA    VAL   18  11.12 +/- 3.17   2.668% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HA    VAL   18  21.27 +/- 3.27   0.222% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  18.22 +/- 3.11   0.370% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  19.25 +/- 3.25   0.339% *  0.0524% (0.53   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.9:
    * O T QG1   VAL   18 - HA    VAL   18   2.51 +/- 0.41  83.543% * 97.4702% (1.00  10.0 10.00   4.11  77.03) =  99.817%  kept
          QD1   LEU   71 - HA    VAL   18   8.41 +/- 4.23   6.017% *  1.3593% (0.84   1.0  1.00   0.33   0.02) =   0.100%  kept
        T QG1   VAL   70 - HA    VAL   18   8.21 +/- 2.67   6.873% *  0.9554% (0.98   1.0 10.00   0.02   0.02) =   0.080%
          HB3   LEU   63 - HA    VAL   18  10.73 +/- 2.76   2.084% *  0.0670% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   18  16.28 +/- 3.85   0.657% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  18.20 +/- 3.42   0.420% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  18.06 +/- 3.57   0.406% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 4.21, residual support = 75.1:
    * O T QG2   VAL   18 - HA    VAL   18   2.90 +/- 0.30  68.525% * 85.4601% (1.00  10.0 10.00   4.22  77.03) =  96.433%  kept
          QD1   ILE   19 - HA    VAL   18   5.18 +/- 0.76  16.052% * 13.2212% (0.73   1.0  1.00   4.26  22.73) =   3.495%  kept
        T QG1   VAL   41 - HA    VAL   18   8.88 +/- 3.97   5.240% *  0.6531% (0.76   1.0 10.00   0.02   0.02) =   0.056%
        T QD2   LEU  104 - HA    VAL   18  14.19 +/- 3.03   1.087% *  0.4838% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          QG1   VAL   43 - HA    VAL   18   9.95 +/- 4.23   3.360% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   18  11.97 +/- 3.08   1.441% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  11.06 +/- 2.20   4.295% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 77.0:
    * O T HA    VAL   18 - HB    VAL   18   2.55 +/- 0.28  91.460% * 99.3791% (1.00  10.0 10.00   3.55  77.03) =  99.993%  kept
          HA    VAL   70 - HB    VAL   18   9.71 +/- 4.13   3.895% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HB    VAL   18  15.07 +/- 2.90   1.090% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  14.99 +/- 2.02   0.730% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HB    VAL   18  16.00 +/- 2.64   1.148% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB    VAL   18  16.95 +/- 4.90   0.523% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  18.63 +/- 3.68   0.482% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  22.51 +/- 6.47   0.214% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.24 +/- 5.35   0.194% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  19.78 +/- 3.79   0.265% *  0.0276% (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 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 = 77.0:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  90.074% * 99.5994% (1.00  10.0 10.00   3.43  77.03) =  99.991%  kept
          QG1   VAL   70 - HB    VAL   18   8.23 +/- 2.98   4.921% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   63 - HB    VAL   18   9.74 +/- 3.29   2.202% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB    VAL   18   9.59 +/- 4.22   1.690% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB    VAL   18  15.71 +/- 3.97   0.493% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.50 +/- 4.38   0.386% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  17.61 +/- 4.01   0.235% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.34, residual support = 76.8:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.01  75.854% * 86.8559% (1.00  10.0 10.00   3.34  77.03) =  99.507%  kept
          QD1   ILE   19 - HB    VAL   18   6.91 +/- 0.60   2.470% * 11.8039% (0.73   1.0  1.00   3.74  22.73) =   0.440%  kept
        T QG1   VAL   41 - HB    VAL   18   9.95 +/- 4.39   4.187% *  0.6638% (0.76   1.0 10.00   0.02   0.02) =   0.042%
          HG    LEU   31 - HB    VAL   18  12.35 +/- 2.99  14.750% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU  104 - HB    VAL   18  14.63 +/- 3.79   0.526% *  0.4917% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HB    VAL   18  10.18 +/- 4.56   1.400% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  11.24 +/- 3.64   0.813% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 77.0:
    * O T HA    VAL   18 - QG1   VAL   18   2.51 +/- 0.41  87.452% * 97.2871% (1.00  10.0 10.00   4.11  77.03) =  99.941%  kept
        T HA    VAL   70 - QG1   VAL   18   8.56 +/- 3.50   4.838% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.038%
        T HA    SER   48 - QG1   VAL   18  13.68 +/- 4.10   1.226% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   SER   82 - QG1   VAL   18  18.06 +/- 5.64   0.572% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  29 - QG1   VAL   18  12.62 +/- 1.86   1.334% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG1   VAL   18  12.78 +/- 1.46   1.197% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   18  13.56 +/- 1.79   1.619% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  15.15 +/- 2.79   0.632% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  15.92 +/- 3.10   0.729% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  18.73 +/- 4.65   0.400% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 76.9:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  88.993% * 97.4979% (1.00  10.0 10.00   3.43  77.03) =  99.777%  kept
          HB2   LEU   67 - QG1   VAL   18   7.59 +/- 3.50   8.438% *  2.2827% (0.90   1.0  1.00   0.52   0.02) =   0.221%  kept
          HB2   LEU   40 - QG1   VAL   18  10.37 +/- 2.76   1.334% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QG1   VAL   18  14.10 +/- 3.04   0.514% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  14.85 +/- 3.01   0.462% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  16.49 +/- 2.82   0.259% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.1, residual support = 76.4:
    * O T QG2   VAL   18 - QG1   VAL   18   2.07 +/- 0.05  77.414% * 85.4308% (1.00  10.0 10.00   4.10  77.03) =  98.946%  kept
          QD1   ILE   19 - QG1   VAL   18   5.55 +/- 0.64   5.009% * 13.2511% (0.73   1.0  1.00   4.27  22.73) =   0.993%  kept
        T QG1   VAL   41 - QG1   VAL   18   8.39 +/- 3.65   4.774% *  0.6529% (0.76   1.0 10.00   0.02   0.02) =   0.047%
          QG1   VAL   43 - QG1   VAL   18   8.05 +/- 4.09   5.359% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.006%
        T QD2   LEU  104 - QG1   VAL   18  12.19 +/- 2.75   0.669% *  0.4837% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   46 - QG1   VAL   18   8.88 +/- 3.23   1.632% *  0.0837% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.26 +/- 2.28   5.143% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.21, residual support = 76.8:
    * O T HA    VAL   18 - QG2   VAL   18   2.90 +/- 0.30  57.014% * 95.1325% (1.00  10.0 10.00   4.22  77.03) =  99.735%  kept
          HA    LYS+  33 - QG1   VAL   41   8.38 +/- 1.93   3.261% *  2.9231% (0.72   1.0  1.00   0.85   0.02) =   0.175%  kept
        T HA    VAL   18 - QG1   VAL   41   8.88 +/- 3.97   4.349% *  0.7270% (0.76   1.0 10.00   0.02   0.02) =   0.058%
          HA    VAL   70 - QG1   VAL   41   6.86 +/- 1.67   8.852% *  0.0499% (0.52   1.0  1.00   0.02   2.62) =   0.008%
          HA    VAL   70 - QG2   VAL   18   8.94 +/- 2.84   3.171% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   41   9.90 +/- 2.70   2.295% *  0.0725% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   8.00 +/- 2.76   4.641% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   18 - QD2   LEU  104  14.19 +/- 3.03   0.901% *  0.1462% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - QG2   VAL   18  12.90 +/- 2.78   1.321% *  0.0949% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - QG2   VAL   18  13.52 +/- 3.84   1.324% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   18  13.09 +/- 1.96   0.856% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  15.34 +/- 3.21   0.893% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  14.01 +/- 2.28   0.865% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  17.62 +/- 4.03   0.428% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  18.57 +/- 4.89   0.299% *  0.0943% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QG1   VAL   41  17.32 +/- 2.82   0.485% *  0.0528% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  15.85 +/- 3.12   0.754% *  0.0265% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  11.13 +/- 2.95   1.875% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.35 +/- 2.41   0.342% *  0.0499% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  19.57 +/- 3.28   0.675% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  17.54 +/- 2.93   0.341% *  0.0354% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  19.39 +/- 3.93   0.240% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  19.51 +/- 3.75   0.883% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.44 +/- 2.68   0.588% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.63 +/- 2.28   0.577% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  15.29 +/- 3.56   0.578% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.38 +/- 2.75   0.847% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  19.46 +/- 3.86   0.272% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  20.48 +/- 3.99   0.685% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  16.80 +/- 3.43   0.391% *  0.0071% (0.07   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.34, residual support = 76.7:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.01  72.920% * 92.8774% (1.00  10.0 10.00   3.34  77.03) =  99.516%  kept
          HB2   LEU   40 - QG1   VAL   41   5.22 +/- 0.23   5.071% *  5.7337% (0.26   1.0  1.00   4.74  20.77) =   0.427%  kept
        T HB    VAL   18 - QG1   VAL   41   9.95 +/- 4.39   4.223% *  0.7098% (0.76   1.0 10.00   0.02   0.02) =   0.044%
          HB2   LEU   67 - QG2   VAL   18   7.54 +/- 3.17   6.859% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.008%
        T HB    VAL   18 - QD2   LEU  104  14.63 +/- 3.79   0.515% *  0.1427% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QG1   VAL   41   9.91 +/- 2.36   1.101% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG2   VAL   18  10.91 +/- 2.40   0.929% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  14.02 +/- 3.59   0.559% *  0.0452% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  16.33 +/- 3.35   0.286% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  15.03 +/- 3.09   0.384% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   8.08 +/- 2.90   3.761% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  17.72 +/- 4.95   2.086% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  20.81 +/- 2.99   0.115% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  17.69 +/- 2.55   0.176% *  0.0345% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.47 +/- 2.99   0.473% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  17.01 +/- 1.54   0.156% *  0.0373% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.77 +/- 3.62   0.150% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.24 +/- 2.42   0.237% *  0.0075% (0.08   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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 4.14, residual support = 82.0:
    * O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  47.689% * 90.5585% (1.00  10.0 10.00   4.10  77.03) =  96.110%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.78 +/- 0.47  24.360% *  6.7733% (0.07  10.0 10.00   5.41 216.46) =   3.672%  kept
          QD1   LEU   71 - QG1   VAL   41   5.12 +/- 1.52  13.045% *  0.5030% (0.64   1.0  1.00   0.17   2.94) =   0.146%  kept
        T QG1   VAL   18 - QG1   VAL   41   8.39 +/- 3.65   3.374% *  0.6921% (0.76   1.0 10.00   0.02   0.02) =   0.052%
        T HB3   LEU  104 - QG1   VAL   41  10.13 +/- 2.23   0.527% *  0.3369% (0.37   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QG2   VAL   18   7.48 +/- 2.01   1.883% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QG1   VAL   41   6.97 +/- 1.11   1.574% *  0.0678% (0.75   1.0  1.00   0.02   2.62) =   0.002%
          HB3   LEU   63 - QG2   VAL   18   8.24 +/- 2.45   1.617% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG2   VAL   18  16.01 +/- 3.09   0.192% *  0.4408% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QG2   VAL   18   8.60 +/- 3.10   1.038% *  0.0756% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QD2   LEU  104  12.19 +/- 2.75   0.418% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  13.00 +/- 3.47   0.609% *  0.0756% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG1   VAL   41  14.63 +/- 4.05   0.333% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  12.02 +/- 2.33   0.368% *  0.0475% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   9.33 +/- 2.55   1.089% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.40 +/- 2.22   0.519% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  13.26 +/- 4.76   0.422% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  14.67 +/- 2.96   0.181% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.75 +/- 1.85   0.191% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  14.25 +/- 2.70   0.220% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.41 +/- 1.23   0.350% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 171.2:
    * O T HB    ILE   19 - HA    ILE   19   2.84 +/- 0.21  81.503% * 98.7896% (1.00  10.0 10.00   5.85 171.19) =  99.980%  kept
        T HB3   GLU-  25 - HA    ILE   19  13.78 +/- 1.87   0.836% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - HA    ILE   19   5.97 +/- 0.63   9.546% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   8.58 +/- 1.21   3.940% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HA    ILE   19  14.70 +/- 2.70   1.009% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE   19  14.67 +/- 3.15   1.899% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    ILE   19  22.14 +/- 3.88   0.317% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  19.43 +/- 3.65   0.503% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.13 +/- 3.28   0.269% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.39 +/- 4.27   0.177% *  0.0481% (0.49   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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.988, support = 6.3, residual support = 168.1:
    * O T HG12  ILE   19 - HA    ILE   19   3.16 +/- 0.51  63.354% * 88.7994% (1.00  10.0 10.00   6.41 171.19) =  98.135%  kept
        T HG    LEU   73 - HA    ILE   19   7.60 +/- 2.71  10.491% *  9.3498% (0.34   1.0 10.00   0.62   4.96) =   1.711%  kept
          HB3   LYS+  74 - HA    ILE   19   7.44 +/- 4.02  13.737% *  0.5329% (0.57   1.0  1.00   0.21   8.27) =   0.128%  kept
        T HG    LEU   80 - HA    ILE   19  17.00 +/- 6.64   0.884% *  0.8704% (0.98   1.0 10.00   0.02   0.02) =   0.013%
          QB    ALA   61 - HA    ILE   19  10.45 +/- 2.49   4.639% *  0.0770% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   67 - HA    ILE   19  11.20 +/- 1.99   1.998% *  0.0645% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  110 - HA    ILE   19  19.75 +/- 3.62   1.431% *  0.0880% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ILE   19  12.34 +/- 1.61   1.199% *  0.0467% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ILE   19  17.62 +/- 5.81   0.631% *  0.0679% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  14.50 +/- 2.93   0.946% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.54 +/- 4.71   0.401% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.51 +/- 4.00   0.289% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.84, residual support = 171.1:
    * O T HG13  ILE   19 - HA    ILE   19   2.85 +/- 0.68  71.882% * 98.2804% (1.00  10.0 10.00   5.85 171.19) =  99.938%  kept
        T HG    LEU   71 - HA    ILE   19  10.43 +/- 3.42   2.768% *  0.8814% (0.90   1.0 10.00   0.02   0.47) =   0.035%
          HG2   LYS+  74 - HA    ILE   19   8.63 +/- 4.11  12.354% *  0.0907% (0.92   1.0  1.00   0.02   8.27) =   0.016%
        T QG2   ILE   56 - HA    ILE   19  16.49 +/- 2.26   0.761% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HA    ILE   19   9.61 +/- 2.53   3.103% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HA    ILE   19   8.91 +/- 1.67   7.392% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    ILE   19  18.62 +/- 3.20   0.463% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  17.27 +/- 2.37   0.499% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  20.05 +/- 2.16   0.270% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  20.70 +/- 3.04   0.296% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  26.04 +/- 3.77   0.210% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.09 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 4.89, residual support = 155.9:
    *   T QD1   ILE   19 - HA    ILE   19   3.45 +/- 0.47  52.449% * 84.7529% (1.00 10.00   4.89 171.19) =  89.694%  kept
          QG2   VAL   18 - HA    ILE   19   4.27 +/- 0.66  33.994% * 15.0103% (0.73  1.00   4.88  22.73) =  10.296%  kept
          QG1   VAL   41 - HA    ILE   19   9.86 +/- 3.23   8.272% *  0.0262% (0.31  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    ILE   19  10.99 +/- 3.01   2.243% *  0.0413% (0.49  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    ILE   19  12.61 +/- 2.07   1.281% *  0.0708% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    ILE   19  15.83 +/- 2.55   0.730% *  0.0818% (0.97  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  14.38 +/- 2.87   1.031% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.31 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 171.2:
    * O T HA    ILE   19 - HB    ILE   19   2.84 +/- 0.21  94.844% * 98.6066% (1.00  10.0 10.00   5.85 171.19) =  99.986%  kept
        T HA    GLU-  25 - HB    ILE   19  12.56 +/- 1.36   1.224% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T HA    SER   82 - HB    ILE   19  22.28 +/- 4.91   0.284% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB    ILE   19   9.38 +/- 1.37   3.300% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  19.83 +/- 2.46   0.349% *  0.0884% (0.90   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 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 = 0.942, support = 5.01, residual support = 156.4:
    * O T HG12  ILE   19 - HB    ILE   19   2.66 +/- 0.32  69.294% * 71.1833% (1.00  10.0 10.00   5.30 171.19) =  91.078%  kept
        T HG    LEU   73 - HB    ILE   19   6.08 +/- 2.65  19.233% * 24.2812% (0.34   1.0 10.00   2.12   4.96) =   8.623%  kept
          HB3   LYS+  74 - HB    ILE   19   8.08 +/- 3.46   4.917% *  3.0138% (0.57   1.0  1.00   1.50   8.27) =   0.274%  kept
        T HB3   LEU   67 - HB    ILE   19  11.43 +/- 2.04   1.359% *  0.5169% (0.73   1.0 10.00   0.02   0.02) =   0.013%
        T HG    LEU   80 - HB    ILE   19  16.67 +/- 6.59   0.650% *  0.6977% (0.98   1.0 10.00   0.02   0.02) =   0.008%
          QB    ALA   61 - HB    ILE   19  10.77 +/- 1.91   1.259% *  0.0617% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HB    ILE   19  19.50 +/- 3.31   0.496% *  0.0706% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HB    ILE   19  13.05 +/- 1.60   0.782% *  0.0375% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB    ILE   19  17.16 +/- 5.73   0.468% *  0.0544% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.99 +/- 2.78   0.846% *  0.0220% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.96 +/- 5.24   0.401% *  0.0432% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.76 +/- 3.75   0.296% *  0.0177% (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 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 4.93, residual support = 168.7:
    * O T HG13  ILE   19 - HB    ILE   19   2.67 +/- 0.27  72.369% * 81.1134% (1.00  10.0 10.00   5.00 171.19) =  98.467%  kept
        T HG2   LYS+  74 - HB    ILE   19   9.29 +/- 3.65   4.991% * 17.6718% (0.92   1.0 10.00   0.47   8.27) =   1.479%  kept
        T HG    LEU   71 - HB    ILE   19   9.68 +/- 3.46   3.498% *  0.7274% (0.90   1.0 10.00   0.02   0.47) =   0.043%
          QG2   THR   39 - HB    ILE   19   8.59 +/- 2.75   5.188% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   34 - HB    ILE   19   7.24 +/- 1.53  12.083% *  0.0181% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  99 - HB    ILE   19  16.96 +/- 2.74   0.422% *  0.0767% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    ILE   19  15.60 +/- 2.22   0.512% *  0.0459% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.68 +/- 3.70   0.109% *  0.1605% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.72 +/- 1.89   0.217% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  16.72 +/- 2.04   0.366% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  19.97 +/- 2.65   0.245% *  0.0202% (0.25   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 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 4.16, residual support = 167.7:
    * O T QD1   ILE   19 - HB    ILE   19   2.57 +/- 0.37  74.079% * 84.7471% (1.00  10.0 10.00   4.15 171.19) =  97.677%  kept
          QG2   VAL   18 - HB    ILE   19   5.32 +/- 0.59   9.905% * 15.0161% (0.73   1.0  1.00   4.88  22.73) =   2.314%  kept
          QG1   VAL   41 - HB    ILE   19   8.41 +/- 3.19   8.397% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HB    ILE   19   9.95 +/- 3.28   5.026% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HB    ILE   19  12.71 +/- 1.84   0.958% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HB    ILE   19  14.50 +/- 2.31   0.605% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  13.02 +/- 2.76   1.031% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.987, support = 6.3, residual support = 167.9:
    * O T HA    ILE   19 - HG12  ILE   19   3.16 +/- 0.51  63.591% * 90.1587% (1.00  10.0 10.00   6.41 171.19) =  98.026%  kept
        T HA    ILE   19 - HG    LEU   73   7.60 +/- 2.71  12.608% *  9.0887% (0.33   1.0 10.00   0.62   4.96) =   1.959%  kept
        T HA    ILE   19 - HG    LEU   80  17.00 +/- 6.64   0.895% *  0.3698% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  25 - HG    LEU   80  15.66 +/- 8.00   2.458% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  25 - HG12  ILE   19  14.08 +/- 1.11   0.983% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG    LEU   80   7.87 +/- 0.99   5.822% *  0.0139% (0.15   1.0  1.00   0.02   0.33) =   0.001%
          HA    CYS   53 - HG    LEU   80  17.99 +/- 4.23   2.080% *  0.0332% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG12  ILE   19  10.61 +/- 1.28   2.479% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  25 - HG    LEU   73  11.69 +/- 2.58   1.839% *  0.0272% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  20.54 +/- 2.79   0.394% *  0.0809% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73  10.03 +/- 2.83   3.528% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.58 +/- 3.12   0.886% *  0.0264% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  16.80 +/- 8.08   1.672% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  23.57 +/- 5.34   0.258% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  18.38 +/- 3.73   0.508% *  0.0111% (0.12   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 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.944, support = 5.03, residual support = 157.3:
    * O T HB    ILE   19 - HG12  ILE   19   2.66 +/- 0.32  61.626% * 74.6257% (1.00  10.0 10.00   5.30 171.19) =  91.665%  kept
        T HB    ILE   19 - HG    LEU   73   6.08 +/- 2.65  17.124% * 24.3716% (0.33   1.0 10.00   2.12   4.96) =   8.318%  kept
          HB2   GLN   17 - HG12  ILE   19   6.87 +/- 0.91   4.605% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HB    ILE   19 - HG    LEU   80  16.67 +/- 6.59   0.579% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - HG12  ILE   19   7.77 +/- 1.59   3.903% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HG12  ILE   19  15.05 +/- 3.36   0.568% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80  15.94 +/- 8.03   1.132% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG12  ILE   19  14.57 +/- 1.15   0.460% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG12  ILE   19  22.66 +/- 3.63   0.341% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   73  11.70 +/- 3.29   1.439% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  12.25 +/- 3.62   1.426% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  19.58 +/- 4.31   0.640% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.84 +/- 2.56   0.682% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.55 +/- 3.39   0.497% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  15.07 +/- 3.57   0.664% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.58 +/- 1.88   0.444% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.04 +/- 3.33   0.205% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  22.78 +/- 3.71   0.173% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.80 +/- 3.09   0.179% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.89 +/- 3.19   0.541% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  21.87 +/- 5.28   0.329% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  26.02 +/- 4.39   0.125% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.06 +/- 4.81   0.357% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.38 +/- 3.43   0.420% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  21.52 +/- 6.27   0.227% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  21.09 +/- 6.25   0.226% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  19.86 +/- 4.15   0.318% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.50 +/- 4.16   0.258% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.97 +/- 1.90   0.365% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.09 +/- 3.67   0.146% *  0.0068% (0.09   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 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 = 169.6:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  79.905% * 70.4063% (1.00  10.0 10.00   5.30 171.19) =  99.062%  kept
        T HG    LEU   71 - HG12  ILE   19   9.44 +/- 4.64   2.197% * 11.7464% (0.90   1.0 10.00   0.37   0.47) =   0.454%  kept
        T HG13  ILE   19 - HG    LEU   73   7.98 +/- 2.62   2.020% *  6.9811% (0.33   1.0 10.00   0.61   4.96) =   0.248%  kept
        T HG    LEU   71 - HG    LEU   73   9.89 +/- 1.97   1.326% *  9.6886% (0.29   1.0 10.00   0.94   1.17) =   0.226%  kept
          QG2   THR   39 - HG12  ILE   19   8.50 +/- 3.59   3.825% *  0.0588% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HG12  ILE   19  10.26 +/- 4.14   1.394% *  0.0650% (0.92   1.0  1.00   0.02   8.27) =   0.002%
        T HG13  ILE   19 - HG    LEU   80  18.30 +/- 6.67   0.135% *  0.2888% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HG12  ILE   19   7.98 +/- 1.93   1.722% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   7.98 +/- 0.90   1.067% *  0.0212% (0.30   1.0  1.00   0.02  41.39) =   0.000%
        T HG    LEU   71 - HG    LEU   80  20.12 +/- 4.37   0.087% *  0.2590% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   9.24 +/- 1.88   1.053% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  10.96 +/- 2.85   0.730% *  0.0267% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   7.11 +/- 2.09   1.952% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.70 +/- 3.48   0.118% *  0.0666% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.69 +/- 3.01   0.180% *  0.0399% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.06 +/- 1.49   0.235% *  0.0241% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  14.53 +/- 2.36   0.188% *  0.0218% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.74 +/- 2.28   0.055% *  0.0588% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  17.17 +/- 2.16   0.104% *  0.0264% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.57 +/- 1.64   0.339% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  18.42 +/- 3.58   0.100% *  0.0241% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.16 +/- 2.19   0.125% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  15.17 +/- 2.77   0.204% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.73 +/- 1.54   0.123% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  16.96 +/- 3.70   0.140% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  16.45 +/- 4.87   0.193% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.62 +/- 3.68   0.042% *  0.0273% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  21.35 +/- 3.44   0.064% *  0.0176% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  15.23 +/- 2.99   0.183% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  26.62 +/- 4.46   0.029% *  0.0163% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.72 +/- 3.88   0.033% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  21.76 +/- 4.62   0.073% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.10 +/- 3.65   0.058% *  0.0046% (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 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.991, support = 4.18, residual support = 167.9:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.01  52.597% * 79.5595% (1.00  10.0 10.00   4.20 171.19) =  97.907%  kept
          QG2   VAL   18 - HG12  ILE   19   5.68 +/- 1.00   4.170% * 13.4237% (0.73   1.0  1.00   4.65  22.73) =   1.310%  kept
        T QD1   ILE   19 - HG    LEU   73   6.78 +/- 1.94   3.764% *  4.7041% (0.33   1.0 10.00   0.36   4.96) =   0.414%  kept
          QG2   VAL   18 - HG    LEU   73   7.33 +/- 2.94  11.014% *  1.1829% (0.24   1.0  1.00   1.25   0.62) =   0.305%  kept
          QG1   VAL   43 - HG    LEU   73   5.82 +/- 2.47  10.694% *  0.2066% (0.16   1.0  1.00   0.33   7.51) =   0.052%
          QG2   THR   46 - HG    LEU   80  10.05 +/- 4.05   6.069% *  0.0273% (0.34   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   ILE   19 - HG    LEU   80  15.41 +/- 5.57   0.290% *  0.3263% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HG12  ILE   19   9.07 +/- 3.76   2.475% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG12  ILE   19  14.02 +/- 3.07   0.278% *  0.1574% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  11.15 +/- 3.57   0.858% *  0.0387% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  14.15 +/- 3.30   0.430% *  0.0646% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   73   6.49 +/- 1.66   2.779% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   80  10.09 +/- 3.02   1.211% *  0.0159% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  13.51 +/- 2.11   0.256% *  0.0665% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.36 +/- 2.79   0.195% *  0.0768% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.34 +/- 1.65   0.657% *  0.0217% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  11.59 +/- 2.24   0.480% *  0.0251% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  14.35 +/- 6.09   0.360% *  0.0237% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   9.52 +/- 2.05   1.032% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  17.78 +/- 3.41   0.132% *  0.0315% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.10 +/- 3.75   0.260% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 171.2:
    * O T HA    ILE   19 - HG13  ILE   19   2.85 +/- 0.68  87.365% * 98.6722% (1.00  10.0 10.00   5.85 171.19) =  99.986%  kept
        T HA    ILE   19 - HG    LEU   71  10.43 +/- 3.42   3.441% *  0.1414% (0.14   1.0 10.00   0.02   0.47) =   0.006%
        T HA    CYS   53 - HG13  ILE   19  20.49 +/- 2.42   0.427% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  25 - HG13  ILE   19  14.36 +/- 1.62   1.522% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG13  ILE   19  10.89 +/- 1.65   4.578% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HG    LEU   71  20.93 +/- 2.71   0.378% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  23.92 +/- 5.10   0.283% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  18.88 +/- 2.22   0.536% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  16.16 +/- 2.99   1.143% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  24.80 +/- 4.65   0.328% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.04 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.1:
    * O T HB    ILE   19 - HG13  ILE   19   2.67 +/- 0.27  67.514% * 98.7569% (1.00  10.0 10.00   5.00 171.19) =  99.976%  kept
          HB2   GLN   17 - HG13  ILE   19   6.30 +/- 1.26   9.955% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.008%
        T HB    ILE   19 - HG    LEU   71   9.68 +/- 3.46   3.246% *  0.1416% (0.14   1.0 10.00   0.02   0.47) =   0.007%
          QB    GLU-  15 - HG13  ILE   19   7.52 +/- 1.65   4.795% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   68 - HG13  ILE   19  14.90 +/- 3.07   0.681% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  25.96 +/- 4.36   0.120% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71   9.17 +/- 5.12   4.931% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  14.89 +/- 1.57   0.457% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG13  ILE   19  22.53 +/- 3.90   0.337% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  14.90 +/- 3.43   1.112% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71   9.99 +/- 4.41   2.734% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  10.78 +/- 1.37   1.409% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.97 +/- 3.16   0.235% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  25.35 +/- 4.11   0.105% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.70 +/- 3.22   0.182% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.82 +/- 1.55   1.408% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  21.66 +/- 3.06   0.156% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  20.16 +/- 2.37   0.197% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  19.90 +/- 2.58   0.215% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.97 +/- 3.15   0.210% *  0.0053% (0.05   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 171.2:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  86.756% * 97.7565% (1.00  10.0 10.00   5.30 171.19) =  99.982%  kept
        T HG    LEU   73 - HG13  ILE   19   7.98 +/- 2.62   2.193% *  0.3335% (0.34   1.0 10.00   0.02   4.96) =   0.009%
        T HG12  ILE   19 - HG    LEU   71   9.44 +/- 4.64   2.385% *  0.1401% (0.14   1.0 10.00   0.02   0.47) =   0.004%
        T HG    LEU   80 - HG13  ILE   19  18.30 +/- 6.67   0.147% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HG13  ILE   19   9.04 +/- 3.86   1.588% *  0.0553% (0.57   1.0  1.00   0.02   8.27) =   0.001%
        T HG    LEU   73 - HG    LEU   71   9.89 +/- 1.97   1.438% *  0.0478% (0.05   1.0 10.00   0.02   1.17) =   0.001%
          QB    ALA   61 - HG13  ILE   19  10.97 +/- 2.23   0.558% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  11.51 +/- 2.63   0.478% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  20.37 +/- 3.64   0.145% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.07 +/- 2.01   0.263% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  20.12 +/- 4.37   0.095% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.58 +/- 1.34   0.941% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  18.80 +/- 5.81   0.111% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.09 +/- 3.19   0.273% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  10.87 +/- 1.74   0.547% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  21.53 +/- 5.19   0.090% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.84 +/- 2.12   0.591% *  0.0079% (0.08   1.0  1.00   0.02   0.22) =   0.000%
          QB    LEU   98 - HG    LEU   71  11.54 +/- 2.98   0.556% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  12.04 +/- 1.19   0.289% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.84 +/- 4.25   0.078% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.67 +/- 6.99   0.216% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.24 +/- 3.50   0.092% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  20.20 +/- 3.83   0.084% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  18.88 +/- 3.80   0.086% *  0.0035% (0.04   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 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 4.14, residual support = 169.3:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  73.282% * 84.5806% (1.00  10.0 10.00   4.14 171.19) =  98.752%  kept
          QG2   VAL   18 - HG13  ILE   19   5.54 +/- 0.75   5.164% * 15.0192% (0.73   1.0  1.00   4.89  22.73) =   1.236%  kept
        T QD1   ILE   19 - HG    LEU   71   8.04 +/- 3.63   4.411% *  0.1212% (0.14   1.0 10.00   0.02   0.47) =   0.009%
          QG1   VAL   41 - HG13  ILE   19   9.09 +/- 3.57   2.686% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  11.21 +/- 3.42   1.359% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   71   6.06 +/- 1.65   7.943% *  0.0037% (0.04   1.0  1.00   0.02   2.94) =   0.000%
          QG2   THR   46 - HG13  ILE   19  13.58 +/- 1.99   0.341% *  0.0706% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  15.29 +/- 2.56   0.252% *  0.0816% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.33 +/- 3.71   1.516% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71  10.32 +/- 1.85   1.253% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.03 +/- 3.12   0.415% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.35 +/- 2.50   0.504% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.44 +/- 1.30   0.266% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.96 +/- 2.91   0.608% *  0.0024% (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 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 171.2:
    *   T HA    ILE   19 - QD1   ILE   19   3.45 +/- 0.47  86.874% * 99.7561% (1.00 10.00   4.89 171.19) =  99.993%  kept
          HA    GLU-  25 - QD1   ILE   19  11.24 +/- 1.11   3.321% *  0.0921% (0.92  1.00   0.02   0.02) =   0.004%
          HA    THR   26 - QD1   ILE   19   8.23 +/- 1.21   8.102% *  0.0249% (0.25  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QD1   ILE   19  17.99 +/- 2.24   0.964% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  20.00 +/- 4.30   0.738% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.19 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 171.2:
    * O T HB    ILE   19 - QD1   ILE   19   2.57 +/- 0.37  76.472% * 99.4654% (1.00  10.0 10.00   4.15 171.19) =  99.982%  kept
          QB    GLU-  15 - QD1   ILE   19   6.19 +/- 1.70  12.072% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.009%
          HB2   GLN   17 - QD1   ILE   19   6.38 +/- 1.07   7.168% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  25 - QD1   ILE   19  11.71 +/- 1.11   1.190% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   ILE   19  13.40 +/- 2.81   0.834% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  19.52 +/- 3.28   0.347% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.51 +/- 3.20   0.503% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  13.35 +/- 2.87   0.907% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.98 +/- 2.92   0.300% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.51 +/- 3.65   0.206% *  0.0484% (0.49   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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 171.1:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  85.040% * 97.8860% (1.00  10.0 10.00   4.20 171.19) =  99.961%  kept
        T HG    LEU   73 - QD1   ILE   19   6.78 +/- 1.94   6.052% *  0.3339% (0.34   1.0 10.00   0.02   4.96) =   0.024%
        T HG    LEU   80 - QD1   ILE   19  15.41 +/- 5.57   0.472% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LEU   98 - QD1   ILE   19  11.85 +/- 2.43   0.814% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD1   ILE   19   8.36 +/- 2.82   2.474% *  0.0554% (0.57   1.0  1.00   0.02   8.27) =   0.002%
          HB3   LEU   67 - QD1   ILE   19  10.61 +/- 2.32   1.888% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - QD1   ILE   19   9.93 +/- 2.02   1.478% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QD1   ILE   19  11.87 +/- 1.72   0.658% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.67 +/- 2.88   0.284% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  15.86 +/- 4.80   0.348% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.65 +/- 4.71   0.255% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  18.07 +/- 3.31   0.238% *  0.0244% (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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.13, residual support = 171.1:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  72.401% * 98.6077% (1.00  10.0 10.00   4.14 171.19) =  99.924%  kept
        T HG    LEU   71 - QD1   ILE   19   8.04 +/- 3.63   4.405% *  0.8843% (0.90   1.0 10.00   0.02   0.47) =   0.055%
          QG2   THR   39 - QD1   ILE   19   6.94 +/- 3.16  14.174% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.016%
          HG2   LYS+  74 - QD1   ILE   19   9.45 +/- 2.96   1.606% *  0.0910% (0.92   1.0  1.00   0.02   8.27) =   0.002%
          QB    ALA   34 - QD1   ILE   19   6.27 +/- 1.79   5.876% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - QD1   ILE   19  12.65 +/- 2.81   0.585% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.74 +/- 2.80   0.317% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.88 +/- 1.48   0.134% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  15.00 +/- 2.29   0.281% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  18.40 +/- 2.23   0.143% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  23.09 +/- 3.20   0.080% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  97.748% * 99.6998% (1.00  10.0 10.00   2.31  15.22) =  99.999%  kept
          QG2   VAL  107 - HA    ALA   20  15.66 +/- 2.63   0.576% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.36 +/- 4.18   0.415% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ALA   20  13.29 +/- 1.02   0.432% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  22.46 +/- 4.68   0.161% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.06 +/- 3.40   0.343% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.57 +/- 5.68   0.326% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  97.760% * 99.9427% (1.00  10.0 10.00   2.31  15.22) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20   9.83 +/- 2.72   1.911% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    ALA   20  18.88 +/- 3.23   0.329% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.74, residual support = 30.0:
    * O T HB2   CYS   21 - HA    CYS   21   2.55 +/- 0.20  99.110% * 99.9059% (1.00  10.0 10.00   2.74  29.96) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  15.34 +/- 2.09   0.618% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.60 +/- 4.97   0.272% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.77, residual support = 30.0:
    * O T HB3   CYS   21 - HA    CYS   21   2.62 +/- 0.25  99.385% * 99.9348% (0.69  10.0 10.00   2.77  29.96) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.97 +/- 3.25   0.615% *  0.0652% (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 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 = 2.65, residual support = 30.0:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.677% * 99.9348% (0.69  10.0 10.00   2.65  29.96) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  15.50 +/- 3.58   0.323% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.65, residual support = 30.0:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.603% * 99.9059% (0.69  10.0 10.00   2.65  29.96) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  14.00 +/- 2.30   0.296% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  22.50 +/- 4.87   0.101% *  0.0566% (0.39   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 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 = 35.1:
    * O T HB2   HIS   22 - HA    HIS   22   2.42 +/- 0.07  94.777% * 99.8331% (0.76  10.0 10.00   2.32  35.14) =  99.993%  kept
          HA    LEU   63 - HA    HIS   22  16.28 +/- 4.21   4.874% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.006%
          HA2   GLY  101 - HA    HIS   22  23.60 +/- 4.50   0.348% *  0.0425% (0.32   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 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.1:
    * O T HB3   HIS   22 - HA    HIS   22   2.88 +/- 0.26  98.836% * 99.9165% (0.95  10.0 10.00   3.46  35.14) =  99.999%  kept
          HD3   ARG+  54 - HA    HIS   22  22.62 +/- 7.23   1.164% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.29 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 = 35.1:
    * O T HA    HIS   22 - HB2   HIS   22   2.42 +/- 0.07  99.227% * 99.7956% (0.76  10.0 10.00   2.32  35.14) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  14.42 +/- 2.18   0.610% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB2   HIS   22  21.31 +/- 2.38   0.164% *  0.1046% (0.79   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 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 = 35.1:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.453% * 99.9165% (0.80  10.0 10.00   4.26  35.14) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  23.26 +/- 8.19   0.547% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.1:
    * O T HA    HIS   22 - HB3   HIS   22   2.88 +/- 0.26  98.685% * 99.7956% (0.95  10.0 10.00   3.46  35.14) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  14.39 +/- 1.90   1.016% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  21.08 +/- 2.32   0.299% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.1:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  99.431% * 99.8331% (0.80  10.0 10.00   4.26  35.14) =  99.999%  kept
          HA    LEU   63 - HB3   HIS   22  18.12 +/- 4.08   0.488% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   HIS   22  24.59 +/- 4.30   0.081% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.35, residual support = 19.2:
    * O T QG2   THR   23 - HA    THR   23   2.56 +/- 0.48  95.906% * 99.3383% (0.80  10.0 10.00   3.35  19.24) =  99.996%  kept
        T QG2   THR   39 - HA    THR   23  16.18 +/- 1.69   0.554% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HA    THR   23  18.21 +/- 3.51   0.468% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    THR   23  12.99 +/- 0.65   0.895% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  12.84 +/- 2.74   1.532% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  18.19 +/- 3.71   0.489% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.49 +/- 1.33   0.155% *  0.0445% (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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.627, support = 3.35, residual support = 19.2:
    * O T HA    THR   23 - QG2   THR   23   2.56 +/- 0.48  39.553% * 73.9129% (0.80  10.0 10.00   3.35  19.24) =  66.761%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  56.709% * 25.6645% (0.28  10.0  1.00   3.35  19.24) =  33.236%  kept
          HA    LEU   80 - QG2   THR   23  12.13 +/- 6.25   1.675% *  0.0379% (0.41   1.0  1.00   0.02   0.91) =   0.001%
          HA    ASP-  78 - QG2   THR   23  13.97 +/- 4.02   0.369% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QG2   THR   39  16.18 +/- 1.69   0.147% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QB    ALA   91  18.21 +/- 3.51   0.148% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91  11.39 +/- 2.48   0.652% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  20.41 +/- 1.49   0.070% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.59 +/- 1.46   0.322% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.07 +/- 2.03   0.154% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.44 +/- 2.51   0.096% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  19.65 +/- 3.32   0.104% *  0.0027% (0.03   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 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 64.9:
    * O T QG1   VAL   24 - HA    VAL   24   2.93 +/- 0.46  95.246% * 99.7332% (1.00  10.0 10.00   3.42  64.94) =  99.997%  kept
          HB3   LEU   31 - HA    VAL   24  10.07 +/- 0.56   2.831% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  17.09 +/- 2.19   0.626% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    VAL   24  24.08 +/- 5.34   0.480% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  21.02 +/- 4.34   0.818% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.13 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 64.9:
    * O T HA    VAL   24 - QG1   VAL   24   2.93 +/- 0.46  96.149% * 99.8757% (1.00  10.0 10.00   3.42  64.94) =  99.999%  kept
          HD2   PRO   68 - QG1   VAL   24  17.76 +/- 3.76   1.758% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   24  17.19 +/- 1.47   0.567% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  14.88 +/- 3.16   1.526% *  0.0222% (0.22   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 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 +/- 0.06  85.687% * 99.2829% (1.00  10.0 10.00   5.27 127.46) =  99.992%  kept
        T HB2   GLU-  25 - HA    SER   82  20.07 +/- 8.30   0.883% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HA    GLU-  25  20.33 +/- 5.54   9.536% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   17 - HA    GLU-  25  16.40 +/- 3.06   1.121% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU-  25  19.46 +/- 2.37   0.423% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  17.55 +/- 3.75   0.606% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.54 +/- 2.95   0.804% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.63 +/- 1.43   0.282% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.10 +/- 4.57   0.206% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  23.53 +/- 2.54   0.200% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  29.95 +/- 4.25   0.103% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.69 +/- 3.97   0.148% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.71 +/- 0.15  92.090% * 98.0202% (1.00  10.0 10.00   5.00 127.46) =  99.985%  kept
        T HB    ILE   19 - HA    GLU-  25  12.56 +/- 1.36   1.037% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   GLU-  25 - HA    SER   82  19.34 +/- 8.55   0.875% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - HA    GLU-  25  18.16 +/- 3.48   0.615% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.55 +/- 0.77   2.315% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  22.28 +/- 4.91   0.230% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU-  25  16.83 +/- 2.40   0.509% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    GLU-  25  24.82 +/- 4.05   0.383% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  23.48 +/- 4.48   0.259% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  23.70 +/- 4.49   0.232% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.38 +/- 3.99   0.105% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  20.85 +/- 2.86   0.300% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  23.08 +/- 3.58   0.204% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.94 +/- 5.50   0.162% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  26.74 +/- 4.80   0.125% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  27.17 +/- 3.28   0.125% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  21.99 +/- 6.41   0.322% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  27.71 +/- 3.26   0.111% *  0.0193% (0.20   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 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.52 +/- 0.55  94.657% * 99.4877% (1.00  10.0 10.00   4.31 127.46) =  99.996%  kept
        T HG2   GLU-  25 - HA    SER   82  19.81 +/- 9.04   0.801% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HB3   TRP   87 - HA    SER   82   9.62 +/- 0.42   2.590% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  19.43 +/- 4.85   0.340% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  27.78 +/- 4.47   0.294% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.80 +/- 2.37   0.307% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  27.58 +/- 4.14   0.324% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.84 +/- 1.75   0.378% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  26.33 +/- 4.23   0.161% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  25.94 +/- 3.86   0.148% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.26 +/- 0.45  87.676% * 99.2510% (1.00  10.0 10.00   3.73 127.46) =  99.990%  kept
        T HG3   GLU-  25 - HA    SER   82  20.15 +/- 8.61   1.527% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HA    GLU-  25  16.20 +/- 5.94   1.959% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    SER   82   9.92 +/- 0.86   3.388% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU-  25  23.92 +/- 5.18   0.796% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  17.83 +/- 1.46   0.645% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.73 +/- 4.07   0.297% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  23.91 +/- 3.58   0.418% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  15.88 +/- 2.71   1.319% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  20.51 +/- 3.54   0.539% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  19.86 +/- 2.77   0.693% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  24.38 +/- 4.43   0.292% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  25.40 +/- 3.73   0.287% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  30.47 +/- 5.50   0.163% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 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 +/- 0.06  96.916% * 99.2383% (1.00  10.0 10.00   5.27 127.46) =  99.992%  kept
        T HA    SER   82 - HB2   GLU-  25  20.07 +/- 8.30   0.993% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   19 - HB2   GLU-  25  13.09 +/- 2.06   1.840% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HB2   GLU-  25  24.99 +/- 4.05   0.252% *  0.0682% (0.69   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 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  98.180% * 97.2368% (1.00  10.0 10.00   5.27 127.46) =  99.995%  kept
        T HB2   GLN   17 - HB2   GLU-  25  17.90 +/- 3.48   0.233% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HB2   GLU-  25  16.77 +/- 2.34   0.143% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB2   GLU-  25  24.36 +/- 4.23   0.057% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  25.85 +/- 4.76   0.336% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.54 +/- 1.39   0.325% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.71 +/- 0.87   0.628% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  24.26 +/- 4.12   0.060% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  29.41 +/- 4.76   0.038% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.5:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.70 +/- 0.26  99.190% * 99.8559% (1.00  10.0 10.00   4.57 127.46) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  21.07 +/- 4.33   0.314% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.08 +/- 2.58   0.216% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  28.58 +/- 5.53   0.139% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  28.38 +/- 5.19   0.140% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.5:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.59 +/- 0.25  97.172% * 99.6757% (1.00  10.0 10.00   4.00 127.46) =  99.998%  kept
          QG    GLU- 114 - HB2   GLU-  25  24.93 +/- 4.34   1.082% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB2   GLU-  25  16.50 +/- 6.14   0.847% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB2   GLU-  25  18.45 +/- 1.61   0.312% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.23 +/- 4.32   0.147% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  24.82 +/- 4.88   0.191% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  24.85 +/- 5.15   0.248% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.71 +/- 0.15  98.002% * 98.4268% (1.00  10.0 10.00   5.00 127.46) =  99.986%  kept
        T HA    ILE   19 - HB3   GLU-  25  13.78 +/- 1.87   0.889% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HA    SER   82 - HB3   GLU-  25  19.34 +/- 8.55   0.931% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB3   GLU-  25  25.02 +/- 3.86   0.178% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.5:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  98.871% * 98.0062% (1.00  10.0 10.00   5.27 127.46) =  99.997%  kept
        T QG    GLN   17 - HB3   GLU-  25  16.75 +/- 3.18   0.227% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB3   GLU-  25  20.75 +/- 2.18   0.071% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   GLU-  25  22.32 +/- 5.40   0.669% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  19.04 +/- 3.71   0.111% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.42 +/- 1.49   0.050% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.5:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.89 +/- 0.17  98.867% * 99.8559% (1.00  10.0 10.00   4.44 127.46) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  20.62 +/- 4.56   0.443% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.09 +/- 2.65   0.296% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  28.67 +/- 5.12   0.193% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  28.48 +/- 4.72   0.201% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.58 +/- 0.21  97.607% * 99.2075% (1.00  10.0 10.00   3.87 127.46) =  99.996%  kept
        T QG    GLU- 114 - HB3   GLU-  25  24.86 +/- 3.95   0.571% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HB3   GLU-  25  16.21 +/- 6.48   0.986% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HB3   GLU-  25  26.12 +/- 4.20   0.143% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  24.48 +/- 5.28   0.258% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  19.26 +/- 1.78   0.258% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  25.12 +/- 4.79   0.179% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.12 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   2.52 +/- 0.55  97.256% * 99.2383% (1.00  10.0 10.00   4.31 127.46) =  99.993%  kept
        T HA    SER   82 - HG2   GLU-  25  19.81 +/- 9.04   0.824% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   19 - HG2   GLU-  25  14.90 +/- 2.17   1.649% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HG2   GLU-  25  25.74 +/- 3.99   0.271% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.5:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.70 +/- 0.26  86.107% * 99.7000% (1.00  10.0 10.00   4.57 127.46) =  99.996%  kept
          HG2   GLU- 100 - HG2   GLU-  25  21.89 +/- 6.15  12.453% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HG2   GLU-  25  17.71 +/- 3.45   0.746% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HG2   GLU-  25  19.31 +/- 3.71   0.338% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  21.40 +/- 2.38   0.191% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.33 +/- 1.15   0.165% *  0.0340% (0.34   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 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 +/- 0.17  92.952% * 99.4104% (1.00  10.0 10.00   4.44 127.46) =  99.995%  kept
          QB    GLU- 114 - HG2   GLU-  25  26.00 +/- 4.91   1.907% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - HG2   GLU-  25  19.61 +/- 3.80   1.072% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG2   GLU-  25  14.12 +/- 1.40   0.952% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   GLU-  25  18.11 +/- 2.63   0.585% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  11.12 +/- 0.98   1.851% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  25.38 +/- 4.40   0.262% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  29.64 +/- 4.67   0.169% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  25.52 +/- 4.54   0.249% *  0.0603% (0.61   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 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.248% * 99.6757% (1.00  10.0 10.00   3.31 127.46) = 100.000%  kept
          QG    GLU- 114 - HG2   GLU-  25  25.12 +/- 4.40   0.281% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  25  17.39 +/- 5.95   0.217% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  19.07 +/- 1.86   0.083% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  26.93 +/- 4.44   0.039% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  25.18 +/- 5.18   0.072% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  25.66 +/- 5.21   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 = 3.73, residual support = 127.4:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.26 +/- 0.45  97.075% * 98.4268% (1.00  10.0 10.00   3.73 127.46) =  99.980%  kept
        T HA    SER   82 - HG3   GLU-  25  20.15 +/- 8.61   1.691% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.011%
        T HA    ILE   19 - HG3   GLU-  25  15.34 +/- 2.17   1.001% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.010%
          HA    CYS   53 - HG3   GLU-  25  26.36 +/- 4.12   0.232% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.11 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.5:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.59 +/- 0.25  93.874% * 99.7000% (1.00  10.0 10.00   4.00 127.46) =  99.997%  kept
          QG    GLN   17 - HG3   GLU-  25  18.13 +/- 3.49   1.212% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   GLU-  25  22.91 +/- 5.72   4.203% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   GLU-  25  22.03 +/- 2.91   0.295% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  20.24 +/- 3.32   0.248% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.10 +/- 1.59   0.168% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.10 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.58 +/- 0.21  95.129% * 98.6730% (1.00  10.0 10.00   3.87 127.46) =  99.989%  kept
        T QB    GLU- 114 - HG3   GLU-  25  26.81 +/- 4.83   0.951% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - HG3   GLU-  25  20.06 +/- 3.84   0.783% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   GLU-  25  14.69 +/- 1.51   0.693% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   GLU-  25  18.48 +/- 2.77   0.460% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  11.69 +/- 1.15   1.319% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  25.82 +/- 5.00   0.287% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  25.91 +/- 5.11   0.263% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  30.49 +/- 4.68   0.115% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.764% * 99.8559% (1.00  10.0 10.00   3.31 127.46) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  21.63 +/- 4.45   0.076% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  29.92 +/- 5.60   0.053% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.42 +/- 2.47   0.050% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  29.72 +/- 5.36   0.058% *  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   3.04 +/- 0.02  99.020% * 99.8279% (1.00  10.0 10.00   3.25  34.80) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  19.59 +/- 3.01   0.573% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HA    THR   26  28.22 +/- 4.95   0.407% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.64 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   2.60 +/- 0.09  95.904% * 99.3101% (1.00  10.0 10.00   3.25  34.80) =  99.996%  kept
          HG2   LYS+  65 - HA    THR   26  18.43 +/- 3.28   1.189% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    THR   26  18.25 +/- 2.30   0.381% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  13.45 +/- 2.11   0.856% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    THR   26  19.54 +/- 3.61   0.487% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  25.44 +/- 5.66   0.222% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.86 +/- 3.15   0.261% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.26 +/- 5.82   0.228% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  23.63 +/- 4.30   0.306% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  25.39 +/- 3.84   0.165% *  0.0134% (0.14   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 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   3.04 +/- 0.02  82.575% * 99.6617% (1.00  10.0 10.00   3.25  34.80) =  99.993%  kept
          HA    ILE   19 - HB    THR   26   8.78 +/- 1.93   9.221% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   28 - HB    THR   26   7.75 +/- 0.07   4.980% *  0.0308% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA    ALA   34 - HB    THR   26  13.23 +/- 1.01   1.074% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  20.66 +/- 5.02   0.730% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB    THR   26  27.51 +/- 4.89   0.557% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB    THR   26  24.20 +/- 4.17   0.556% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  22.47 +/- 3.70   0.307% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.50 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   2.15 +/- 0.01  96.933% * 99.4369% (1.00  10.0 10.00   3.00  34.80) =  99.997%  kept
          HB2   LYS+  74 - HB    THR   26  11.42 +/- 2.55   0.977% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB    THR   26  16.75 +/- 3.00   0.818% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA  120 - HB    THR   26  22.84 +/- 4.38   0.214% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  18.27 +/- 3.12   0.301% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  24.61 +/- 5.31   0.143% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.54 +/- 2.35   0.198% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.51 +/- 5.54   0.146% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.26 +/- 3.04   0.131% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.91 +/- 4.34   0.140% *  0.0135% (0.14   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 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.24, residual support = 34.8:
    * O T HA    THR   26 - QG2   THR   26   2.60 +/- 0.09  69.409% * 98.4824% (1.00  10.0 10.00   3.25  34.80) =  99.937%  kept
          HA    ILE   19 - QG2   THR   26   6.10 +/- 1.79  23.589% *  0.1651% (0.25   1.0  1.00   0.13   0.02) =   0.057%
          HA    ASN   28 - QG2   THR   26   6.54 +/- 0.10   4.372% *  0.0304% (0.31   1.0  1.00   0.02   0.42) =   0.002%
        T HA    GLU- 114 - QG2   THR   26  23.19 +/- 3.95   0.150% *  0.8226% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QG2   THR   26   9.50 +/- 0.91   1.546% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - QG2   THR   26  20.37 +/- 3.36   0.190% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  16.72 +/- 3.70   0.525% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  19.11 +/- 2.91   0.219% *  0.0479% (0.49   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 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   2.15 +/- 0.01  99.160% * 99.1149% (1.00  10.0 10.00   3.00  34.80) =  99.998%  kept
        T HA    SER  117 - QG2   THR   26  22.75 +/- 4.24   0.225% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  62 - QG2   THR   26  14.81 +/- 2.41   0.615% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.7:
    * O T HB2   TRP   27 - HA    TRP   27   2.84 +/- 0.07  98.678% * 99.8554% (1.00  10.0 10.00   4.44 100.69) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  15.09 +/- 3.43   0.985% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  20.99 +/- 2.70   0.337% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.7:
    * O T HB3   TRP   27 - HA    TRP   27   2.22 +/- 0.03  97.873% * 99.7166% (1.00  10.0 10.00   4.44 100.69) =  99.999%  kept
          HB3   PHE   60 - HA    TRP   27  16.54 +/- 4.02   0.780% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    TRP   27  16.60 +/- 2.36   0.344% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.12 +/- 2.24   0.408% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.87 +/- 2.56   0.223% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  15.55 +/- 2.01   0.373% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.7:
    * O T HA    TRP   27 - HB2   TRP   27   2.84 +/- 0.07  99.044% * 99.7755% (1.00  10.0 10.00   4.44 100.69) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  20.30 +/- 3.92   0.389% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.01 +/- 2.28   0.325% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.49 +/- 3.59   0.242% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.7:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  98.792% * 99.7166% (1.00  10.0 10.00   4.97 100.69) =  99.999%  kept
          HB3   PHE   60 - HB2   TRP   27  16.54 +/- 4.60   0.510% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   TRP   27  17.01 +/- 2.90   0.231% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.32 +/- 2.81   0.211% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.67 +/- 2.87   0.126% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  17.45 +/- 2.23   0.130% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.7:
    * O T HA    TRP   27 - HB3   TRP   27   2.22 +/- 0.03  99.516% * 99.7755% (1.00  10.0 10.00   4.44 100.69) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  19.97 +/- 3.58   0.181% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.15 +/- 2.13   0.179% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.75 +/- 3.22   0.124% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.7:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.482% * 99.8554% (1.00  10.0 10.00   4.97 100.69) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  13.15 +/- 3.52   0.397% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.25 +/- 2.82   0.121% *  0.0999% (1.00   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 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 94.7:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  89.839% * 99.2152% (1.00  10.0 10.00   4.49  94.71) =  99.983%  kept
        T HB2   ASN   35 - HA    ASN   28  11.52 +/- 1.28   1.983% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.010%
          QE    LYS+  33 - HA    ASN   28   9.31 +/- 0.76   3.483% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HA    ASN   28  16.25 +/- 7.32   2.497% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    ASN   28  17.46 +/- 2.67   0.725% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  19.04 +/- 3.23   0.472% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  15.63 +/- 3.29   1.002% *  0.0153% (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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 94.1:
    * O T HB3   ASN   28 - HA    ASN   28   2.61 +/- 0.06  93.233% * 87.3135% (1.00  10.0 10.00   4.19  94.71) =  99.193%  kept
          HG2   GLN   30 - HA    ASN   28   7.00 +/- 0.49   5.240% * 12.6320% (0.92   1.0  1.00   3.13  19.12) =   0.806%  kept
          QE    LYS+ 121 - HA    ASN   28  20.52 +/- 6.57   1.067% *  0.0391% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASN   28  22.56 +/- 5.84   0.460% *  0.0153% (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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.46, residual support = 93.8:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  63.494% * 92.9822% (1.00  10.0 10.00   4.49  94.71) =  98.877%  kept
          HA    ALA   34 - HB2   ASN   35   6.28 +/- 0.36   7.574% *  4.4585% (0.29   1.0  1.00   3.26  21.48) =   0.566%  kept
          HA    THR   26 - HB2   ASN   28   4.61 +/- 0.27  19.024% *  1.7106% (0.31   1.0  1.00   1.19   0.42) =   0.545%  kept
        T HA    ASN   28 - HB2   ASN   35  11.52 +/- 1.28   1.402% *  0.2892% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HA1   GLY  101 - HB2   ASN   28  17.46 +/- 6.13   1.721% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   28  12.13 +/- 0.40   1.023% *  0.0880% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   35  13.44 +/- 6.35   3.121% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   ASN   28  24.90 +/- 3.21   0.195% *  0.0928% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  27.83 +/- 3.64   0.164% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  29.13 +/- 6.68   0.196% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  19.98 +/- 6.85   0.578% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.34 +/- 4.05   0.148% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.49 +/- 1.13   0.639% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  27.74 +/- 9.09   0.359% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  27.08 +/- 2.41   0.098% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.94 +/- 3.75   0.083% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  29.77 +/- 2.70   0.075% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  27.96 +/- 4.60   0.108% *  0.0051% (0.05   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 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 = 94.6:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  97.464% * 91.9182% (1.00  10.0 10.00   5.44  94.71) =  99.882%  kept
          HG2   GLN   30 - HB2   ASN   28   7.56 +/- 0.68   1.355% *  7.6944% (0.92   1.0  1.00   1.81  19.12) =   0.116%  kept
        T HB3   ASN   28 - HB2   ASN   35  12.12 +/- 1.33   0.342% *  0.2859% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  11.84 +/- 0.95   0.342% *  0.0264% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  22.49 +/- 6.44   0.177% *  0.0412% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  21.99 +/- 7.38   0.149% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.58 +/- 5.84   0.090% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  24.77 +/- 7.18   0.081% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 94.6:
    * O T HA    ASN   28 - HB3   ASN   28   2.61 +/- 0.06  89.298% * 98.3110% (1.00  10.0 10.00   4.19  94.71) =  99.898%  kept
          HA    THR   26 - HB3   ASN   28   6.13 +/- 0.25   7.113% *  1.2230% (0.31   1.0  1.00   0.81   0.42) =   0.099%
          HA1   GLY  101 - HB3   ASN   28  16.55 +/- 6.24   1.593% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB3   ASN   28  11.75 +/- 0.35   0.992% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  24.93 +/- 2.99   0.148% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  28.94 +/- 6.86   0.178% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  20.48 +/- 6.95   0.444% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.76 +/- 3.39   0.119% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.85 +/- 3.80   0.114% *  0.0636% (0.65   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 94.7:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.318% * 99.2152% (1.00  10.0 10.00   5.44  94.71) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  12.12 +/- 1.33   0.346% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.98 +/- 1.12   0.635% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  17.58 +/- 7.67   0.375% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  19.32 +/- 2.99   0.111% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  20.66 +/- 3.47   0.075% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  17.46 +/- 3.46   0.140% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 92.4:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.92 +/- 0.20  64.502% * 98.3644% (1.00  10.0 10.00   4.91  92.44) =  99.962%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.24 +/- 0.79   3.217% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   GLU-  29 - HA    GLN   32   8.02 +/- 0.34   3.208% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   PHE   72 - HA    GLU-  29  13.79 +/- 1.58   0.733% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - HA    GLU-  29  14.40 +/- 3.49   6.069% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PHE   72 - HA    LYS+  33  12.80 +/- 1.52   0.891% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    GLU-  29  12.82 +/- 3.28   1.866% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  16.09 +/- 3.83   0.935% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    LYS+  33   9.84 +/- 3.38   3.511% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  14.59 +/- 3.89   2.472% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.49 +/- 2.85   1.933% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  12.74 +/- 3.87   1.883% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  13.60 +/- 3.64   1.411% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  12.14 +/- 3.57   3.271% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  18.64 +/- 2.66   0.304% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.09 +/- 2.60   0.193% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  24.96 +/- 3.43   0.143% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.36 +/- 3.69   0.112% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.06 +/- 1.42   0.310% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  23.41 +/- 4.08   0.168% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.04 +/- 1.58   0.850% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.76 +/- 2.80   0.237% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.27 +/- 2.77   0.189% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.41 +/- 3.65   0.133% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.61 +/- 3.61   0.140% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.40 +/- 1.90   0.180% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.86 +/- 2.16   0.201% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.50 +/- 3.31   0.090% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  19.08 +/- 1.15   0.256% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.72 +/- 2.35   0.069% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.58 +/- 1.18   0.274% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  24.44 +/- 3.93   0.141% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  26.02 +/- 2.91   0.105% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.19 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.859, support = 5.18, residual support = 91.2:
      O   HB3   GLU-  29 - HA    GLU-  29   2.62 +/- 0.15  37.375% * 43.8653% (0.80  10.0  1.00   5.20  92.44) =  64.118%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.52 +/- 0.30  16.145% * 54.7811% (1.00  10.0 10.00   5.24  92.44) =  34.591%  kept
          QB    GLU-  36 - HA    LYS+  33   2.78 +/- 0.46  33.899% *  0.9656% (0.13   1.0  1.00   2.64   0.02) =   1.280%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.43 +/- 0.96   0.876% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HA    LYS+  33   7.01 +/- 1.02   2.378% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   8.97 +/- 0.86   0.982% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.33 +/- 0.52   3.108% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.22 +/- 0.42   1.805% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.83 +/- 0.38   0.975% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.95 +/- 0.71   1.072% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.54 +/- 1.25   0.253% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.27 +/- 1.13   0.743% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  19.76 +/- 5.05   0.136% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  26.67 +/- 4.51   0.044% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.98 +/- 3.91   0.069% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  27.92 +/- 4.24   0.036% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  22.25 +/- 4.09   0.077% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  29.75 +/- 3.02   0.027% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.68, residual support = 92.4:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.42 +/- 0.52  87.755% * 99.0116% (1.00  10.0 10.00   4.68  92.44) =  99.976%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.45 +/- 1.08   3.803% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   GLU-  29 - HA    GLN   32   7.44 +/- 0.59   3.907% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.010%
          HB3   ASP-  86 - HA    GLU-  29  20.67 +/- 7.61   0.670% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    GLU-  29  20.81 +/- 2.53   0.227% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  21.88 +/- 7.69   0.560% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  21.97 +/- 2.93   0.190% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.75 +/- 3.71   0.359% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  25.35 +/- 4.28   0.113% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  24.21 +/- 6.66   0.262% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.06 +/- 2.16   0.141% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.86 +/- 2.48   0.208% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  22.31 +/- 2.46   0.181% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.08 +/- 1.55   0.157% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  22.24 +/- 2.49   0.195% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.01 +/- 4.18   0.491% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.23 +/- 4.04   0.104% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.88 +/- 3.14   0.285% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.51 +/- 3.49   0.115% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.52 +/- 1.86   0.155% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.83 +/- 2.14   0.123% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.9, residual support = 92.4:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.92 +/- 0.20  85.964% * 98.1508% (1.00  10.0 10.00   4.91  92.44) =  99.925%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.24 +/- 0.79   4.283% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.047%
        T HA    GLN   32 - HB2   GLU-  29   8.02 +/- 0.34   4.275% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.022%
          HA    VAL   18 - HB2   GLU-  29  12.87 +/- 2.79   3.224% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   SER   82 - HB2   GLU-  29  21.19 +/- 8.72   0.914% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  17.46 +/- 2.37   0.578% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  23.69 +/- 4.28   0.259% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  26.92 +/- 3.86   0.173% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  24.93 +/- 4.95   0.193% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.30 +/- 3.90   0.136% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.872, support = 4.51, residual support = 92.4:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.815% * 44.1051% (0.80  10.0  1.00   4.51  92.44) =  64.316%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.30 +/- 0.08  30.572% * 55.0806% (1.00  10.0 10.00   4.51  92.44) =  35.683%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  18.76 +/- 5.42   0.104% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   GLU-  29  26.48 +/- 4.37   0.025% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.11 +/- 0.93   0.384% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.13 +/- 1.31   0.100% *  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 = 92.4:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.93 +/- 0.07  97.696% * 99.6674% (1.00  10.0 10.00   4.14  92.44) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  20.90 +/- 7.19   0.604% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB2   GLU-  29  21.64 +/- 3.37   0.365% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  20.53 +/- 2.57   0.316% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  25.17 +/- 5.07   0.247% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.55 +/- 3.38   0.500% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.43 +/- 2.87   0.273% *  0.0249% (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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.4:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.42 +/- 0.52  88.105% * 98.1508% (1.00  10.0 10.00   4.68  92.44) =  99.935%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.45 +/- 1.08   3.812% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.041%
        T HA    GLN   32 - HG2   GLU-  29   7.44 +/- 0.59   3.920% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.020%
          HA    VAL   18 - HG2   GLU-  29  14.46 +/- 3.01   2.238% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HG2   GLU-  29  21.65 +/- 9.03   0.626% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   GLU-  29  24.79 +/- 5.12   0.447% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  18.37 +/- 2.39   0.446% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  25.31 +/- 5.32   0.165% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  27.84 +/- 3.42   0.094% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.42 +/- 4.37   0.148% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 92.4:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.93 +/- 0.07  89.421% * 99.5124% (1.00  10.0 10.00   4.14  92.44) =  99.996%  kept
          QG    GLU-  14 - HG2   GLU-  29  15.05 +/- 3.67   5.089% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HG2   GLU-  29  17.75 +/- 4.15   1.353% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG2   GLU-  29  13.83 +/- 3.49   1.831% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  15.09 +/- 2.00   0.778% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  18.82 +/- 3.20   0.438% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.41 +/- 2.63   0.208% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  25.96 +/- 3.62   0.172% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.82 +/- 3.85   0.138% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  18.93 +/- 1.68   0.362% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  23.81 +/- 4.24   0.210% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.41 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.968, support = 4.24, residual support = 92.4:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  80.004% * 55.3193% (1.00  10.0 10.00   4.21  92.44) =  83.800%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.83 +/- 0.09  19.311% * 44.2962% (0.80  10.0 10.00   4.40  92.44) =  16.197%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.29 +/- 1.17   0.441% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HG2   GLU-  29  16.37 +/- 1.31   0.107% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  19.77 +/- 5.65   0.109% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  27.06 +/- 4.68   0.028% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.945, support = 4.86, residual support = 158.8:
    * O T HB2   GLN   30 - HA    GLN   30   2.73 +/- 0.13  51.890% * 53.1933% (1.00  10.0 10.00   4.81 158.85) =  58.574%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.00 +/- 0.57  42.304% * 46.1414% (0.87  10.0 10.00   4.93 158.85) =  41.423%  kept
        T HB2   PRO   93 - HA    GLN   30  22.46 +/- 2.27   0.112% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLN   30  11.77 +/- 3.16   2.863% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   30  15.48 +/- 2.88   0.437% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30   9.80 +/- 2.21   1.734% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.14 +/- 3.52   0.306% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.06 +/- 3.49   0.063% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.00 +/- 3.69   0.107% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.20 +/- 2.76   0.108% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.68 +/- 3.44   0.075% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.987, support = 5.2, residual support = 156.2:
    * O T HB3   GLN   30 - HA    GLN   30   2.97 +/- 0.05  52.214% * 97.5472% (1.00  10.0 10.00   5.26 158.85) =  98.318%  kept
          QB    LYS+  33 - HA    GLN   30   3.24 +/- 0.74  44.648% *  1.9474% (0.25   1.0  1.00   1.60   0.30) =   1.678%  kept
          HB3   LYS+  38 - HA    GLN   30  12.80 +/- 1.69   1.301% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HA    GLN   30  22.31 +/- 3.27   0.168% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.88 +/- 2.87   0.128% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.94 +/- 2.62   0.123% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.31 +/- 2.16   0.249% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  18.05 +/- 4.19   0.491% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  21.09 +/- 5.07   0.223% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.92 +/- 2.87   0.245% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  25.51 +/- 3.37   0.095% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.59 +/- 3.70   0.115% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 158.3:
    * O T HG2   GLN   30 - HA    GLN   30   2.70 +/- 0.49  91.903% * 93.6620% (1.00  10.0 10.00   5.74 158.85) =  99.607%  kept
          HB3   ASN   28 - HA    GLN   30   7.55 +/- 0.11   5.422% *  6.2417% (0.92   1.0  1.00   1.44  19.12) =   0.392%  kept
          QE    LYS+ 121 - HA    GLN   30  20.98 +/- 6.02   1.386% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    GLN   30  22.53 +/- 5.81   1.289% *  0.0319% (0.34   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 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 158.8:
    * O T HA    GLN   30 - HB2   GLN   30   2.73 +/- 0.13  91.815% * 99.6678% (1.00  10.0 10.00   4.81 158.85) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30  10.15 +/- 1.90   2.625% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB2   GLN   30  19.54 +/- 7.23   0.832% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   GLN   30  13.19 +/- 2.92   1.399% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30  10.01 +/- 1.51   2.438% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.34 +/- 2.39   0.222% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.12 +/- 3.53   0.171% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  20.84 +/- 3.24   0.271% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.37 +/- 2.91   0.228% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.06, residual support = 158.8:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  93.755% * 98.9590% (1.00  10.0 10.00   5.06 158.85) =  99.997%  kept
          QB    LYS+  33 - HB2   GLN   30   5.19 +/- 0.74   4.702% *  0.0247% (0.25   1.0  1.00   0.02   0.30) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.35 +/- 2.13   0.756% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  16.75 +/- 2.21   0.128% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HB2   GLN   30  24.76 +/- 3.61   0.053% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  20.68 +/- 3.22   0.081% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.64 +/- 2.87   0.063% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.04 +/- 2.67   0.057% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  19.12 +/- 5.02   0.125% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  19.26 +/- 3.98   0.119% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  18.54 +/- 2.94   0.113% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  23.25 +/- 3.35   0.049% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 158.4:
    * O T HG2   GLN   30 - HB2   GLN   30   2.73 +/- 0.24  90.418% * 94.1925% (1.00  10.0 10.00   5.54 158.85) =  99.693%  kept
          HB3   ASN   28 - HB2   GLN   30   7.53 +/- 0.73   4.555% *  5.7106% (0.92   1.0  1.00   1.31  19.12) =   0.304%  kept
          QE    LYS+ 121 - HB2   GLN   30  19.75 +/- 5.92   2.143% *  0.0647% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   HIS  122 - HB2   GLN   30  21.09 +/- 5.70   2.883% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 158.8:
    * O T HA    GLN   30 - HB3   GLN   30   2.97 +/- 0.05  89.553% * 99.5115% (1.00  10.0 10.00   5.26 158.85) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30  10.43 +/- 2.11   3.514% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  19.31 +/- 7.13   1.054% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  21.08 +/- 2.82   0.331% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  13.35 +/- 3.16   1.832% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30  10.47 +/- 1.66   2.767% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  24.69 +/- 3.71   0.281% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  20.96 +/- 2.50   0.335% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  20.50 +/- 3.33   0.333% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.973, support = 5.09, residual support = 158.8:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  75.990% * 53.1733% (1.00  10.0 10.00   5.06 158.85) =  79.598%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.68 +/- 0.23  22.452% * 46.1240% (0.87  10.0  1.00   5.18 158.85) =  20.401%  kept
        T HB2   ARG+  54 - HB3   GLN   30  24.48 +/- 3.44   0.039% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  15.54 +/- 2.86   0.154% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  11.59 +/- 2.38   0.540% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  10.63 +/- 1.76   0.448% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.29 +/- 3.21   0.157% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.01 +/- 3.53   0.074% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  21.04 +/- 2.68   0.052% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.92 +/- 2.21   0.063% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.79 +/- 3.35   0.030% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 158.3:
    * O T HG2   GLN   30 - HB3   GLN   30   2.73 +/- 0.32  91.716% * 93.6721% (1.00  10.0 10.00   6.01 158.85) =  99.589%  kept
          HB3   ASN   28 - HB3   GLN   30   7.00 +/- 0.39   5.669% *  6.2316% (0.92   1.0  1.00   1.44  19.12) =   0.410%  kept
          QE    LYS+ 121 - HB3   GLN   30  19.51 +/- 5.89   1.287% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HB3   GLN   30  20.86 +/- 5.60   1.328% *  0.0320% (0.34   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 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 158.8:
    * O T HA    GLN   30 - HG2   GLN   30   2.70 +/- 0.49  90.925% * 99.6678% (1.00  10.0 10.00   5.74 158.85) =  99.997%  kept
          HB    THR   39 - HG2   GLN   30  10.93 +/- 2.46   2.787% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG2   GLN   30  12.05 +/- 3.01   2.308% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  20.47 +/- 6.99   0.721% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.46 +/- 1.85   2.202% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.84 +/- 2.80   0.309% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.57 +/- 3.62   0.174% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  21.89 +/- 3.58   0.327% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  22.15 +/- 3.19   0.246% *  0.0154% (0.15   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 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.9, support = 6.26, residual support = 158.8:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  76.282% * 46.1414% (0.87  10.0 10.00   6.49 158.85) =  75.283%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.73 +/- 0.24  21.724% * 53.1933% (1.00  10.0 10.00   5.54 158.85) =  24.716%  kept
        T HB2   PRO   93 - HG2   GLN   30  21.21 +/- 2.63   0.052% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  10.73 +/- 2.38   0.947% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.93 +/- 2.90   0.116% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30   9.76 +/- 1.75   0.590% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.26 +/- 3.95   0.065% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.19 +/- 3.98   0.028% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.69 +/- 3.25   0.117% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  22.75 +/- 2.61   0.040% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.16 +/- 3.78   0.039% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 158.8:
    * O T HB3   GLN   30 - HG2   GLN   30   2.73 +/- 0.32  80.002% * 99.4599% (1.00  10.0 10.00   6.01 158.85) =  99.993%  kept
          QB    LYS+  33 - HG2   GLN   30   5.27 +/- 0.93  16.601% *  0.0248% (0.25   1.0  1.00   0.02   0.30) =   0.005%
          HB3   LYS+  38 - HG2   GLN   30  14.38 +/- 1.96   0.795% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  21.18 +/- 3.75   0.288% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  23.61 +/- 2.77   0.180% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.69 +/- 3.06   0.190% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.17 +/- 2.05   0.345% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  19.84 +/- 4.89   0.357% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  17.89 +/- 3.80   0.617% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  20.09 +/- 3.02   0.262% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  24.46 +/- 3.39   0.139% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  25.09 +/- 4.29   0.225% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  79.057% * 99.2507% (1.00  10.0 10.00   6.00 231.33) =  99.983%  kept
          HG    LEU   98 - HA    LEU   31  10.52 +/- 4.75  10.749% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HA    LEU   31  12.24 +/- 3.13   2.585% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HA    LEU   31  10.23 +/- 1.04   2.293% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LEU   31  15.83 +/- 3.15   1.159% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.001%
          HB3   LEU   80 - HA    LEU   31  18.25 +/- 6.00   0.824% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   31  21.83 +/- 5.95   1.112% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  14.67 +/- 1.63   0.786% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  17.56 +/- 3.66   0.585% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  19.20 +/- 3.72   0.414% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.33 +/- 3.32   0.151% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.78 +/- 2.15   0.285% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HA    LEU   31   2.40 +/- 0.07  95.789% * 99.6763% (1.00  10.0 10.00   6.00 231.33) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.13 +/- 0.97   1.098% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.81 +/- 0.73   1.120% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    LEU   31  21.67 +/- 7.39   0.970% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.74 +/- 3.69   0.236% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.50 +/- 1.76   0.338% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  25.21 +/- 3.39   0.100% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.51 +/- 1.83   0.350% *  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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.95, residual support = 228.9:
    * O T HG    LEU   31 - HA    LEU   31   2.84 +/- 0.49  57.981% * 93.9769% (0.80  10.0 10.00   6.00 231.33) =  98.932%  kept
          QD2   LEU   73 - HA    LEU   31   6.40 +/- 1.84   9.953% *  5.8103% (0.92   1.0  1.00   1.07   2.12) =   1.050%  kept
          QG1   VAL   41 - HA    LEU   31   5.09 +/- 3.08  31.423% *  0.0293% (0.25   1.0  1.00   0.02   0.02) =   0.017%
          HG3   LYS+ 121 - HA    LEU   31  21.21 +/- 7.23   0.415% *  0.0664% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    LEU   31  19.04 +/- 2.06   0.228% *  0.1171% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.3:
    *   T QD1   LEU   31 - HA    LEU   31   3.60 +/- 0.19 100.000% *100.0000% (1.00 10.00   4.85 231.33) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.19 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.3:
    *   T QD2   LEU   31 - HA    LEU   31   2.98 +/- 0.66  87.965% * 99.6345% (1.00 10.00   5.74 231.33) =  99.975%  kept
        T QG2   VAL   43 - HA    LEU   31   9.23 +/- 2.87   7.771% *  0.2484% (0.25 10.00   0.02   0.02) =   0.022%
          QG2   VAL   83 - HA    LEU   31  14.14 +/- 4.78   2.778% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  15.15 +/- 3.27   1.486% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 A violated in 0 structures by 0.31 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.33) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.536% * 99.6763% (1.00  10.0 10.00   6.00 231.33) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.72 +/- 0.64   0.615% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.08 +/- 1.13   0.338% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.00 +/- 3.68   0.069% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.80 +/- 7.54   0.170% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  26.27 +/- 3.41   0.036% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.28 +/- 1.83   0.114% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.22 +/- 2.05   0.123% *  0.0135% (0.14   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 6.01, residual support = 231.2:
    * O T HG    LEU   31 - HB2   LEU   31   2.77 +/- 0.29  82.671% * 99.0822% (0.80  10.0 10.00   6.01 231.33) =  99.949%  kept
          QD2   LEU   73 - HB2   LEU   31   7.70 +/- 1.81   5.453% *  0.6935% (0.92   1.0  1.00   0.12   2.12) =   0.046%
          QG1   VAL   41 - HB2   LEU   31   6.99 +/- 3.10  11.128% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HB2   LEU   31  22.30 +/- 7.46   0.501% *  0.0701% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  20.10 +/- 2.06   0.247% *  0.1235% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T QD1   LEU   31 - HB2   LEU   31   2.62 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.33) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.3:
    * O T QD2   LEU   31 - HB2   LEU   31   2.49 +/- 0.52  92.739% * 99.6345% (1.00  10.0 10.00   5.75 231.33) =  99.987%  kept
        T QG2   VAL   43 - HB2   LEU   31   9.79 +/- 3.35   4.221% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.011%
          QG2   VAL   83 - HB2   LEU   31  13.94 +/- 5.31   2.210% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB2   LEU   31  15.26 +/- 3.75   0.831% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HB3   LEU   31   2.40 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.33) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  92.430% * 99.2507% (1.00  10.0 10.00   6.00 231.33) =  99.995%  kept
          HG    LEU   98 - HB3   LEU   31  10.20 +/- 5.48   5.197% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HB3   LEU   31  12.21 +/- 3.57   0.831% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HB3   LEU   31  11.13 +/- 1.34   0.414% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  18.10 +/- 6.23   0.215% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  16.76 +/- 3.25   0.192% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.17 +/- 1.97   0.168% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.11 +/- 6.02   0.158% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  17.24 +/- 4.24   0.161% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  18.54 +/- 4.51   0.125% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.14 +/- 3.79   0.042% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.97 +/- 2.56   0.067% *  0.0372% (0.38   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 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 229.9:
    * O T HG    LEU   31 - HB3   LEU   31   2.80 +/- 0.17  69.059% * 92.7113% (0.80  10.0 10.00   6.01 231.33) =  99.365%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.40 +/- 1.93   6.137% *  6.4888% (0.92   1.0 10.00   0.12   2.12) =   0.618%  kept
          QG1   VAL   41 - HB3   LEU   31   5.88 +/- 3.30  24.031% *  0.0289% (0.25   1.0  1.00   0.02   0.02) =   0.011%
        T HG3   LYS+ 121 - HB3   LEU   31  21.17 +/- 7.54   0.526% *  0.6555% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HB3   LEU   31  19.45 +/- 2.18   0.246% *  0.1155% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T QD1   LEU   31 - HB3   LEU   31   2.10 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.33) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.3:
    * O T QD2   LEU   31 - HB3   LEU   31   2.93 +/- 0.28  90.159% * 99.6345% (1.00  10.0 10.00   5.75 231.33) =  99.980%  kept
        T QG2   VAL   43 - HB3   LEU   31   9.28 +/- 3.41   6.194% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.017%
          QG2   VAL   83 - HB3   LEU   31  13.79 +/- 5.15   2.439% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  14.83 +/- 3.79   1.208% *  0.0447% (0.45   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 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HG    LEU   31   2.84 +/- 0.49 100.000% *100.0000% (0.80  10.0 10.00   6.00 231.33) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.3:
    * O T HB2   LEU   31 - HG    LEU   31   2.77 +/- 0.29  82.789% * 99.2507% (0.80  10.0 10.00   6.01 231.33) =  99.986%  kept
          HG    LEU   98 - HG    LEU   31  10.50 +/- 4.57   7.983% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   63 - HG    LEU   31  15.49 +/- 3.58   1.854% *  0.0890% (0.72   1.0  1.00   0.02   0.27) =   0.002%
          HB3   LEU   80 - HG    LEU   31  16.18 +/- 6.44   1.309% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HG    LEU   31  13.25 +/- 3.13   1.372% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HG    LEU   31  12.67 +/- 1.36   1.170% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  13.63 +/- 1.97   1.025% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   31  21.98 +/- 5.45   0.693% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  15.89 +/- 4.13   0.781% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  17.78 +/- 4.00   0.488% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.32 +/- 3.23   0.158% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.55 +/- 2.56   0.378% *  0.0372% (0.30   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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.3:
    * O T HB3   LEU   31 - HG    LEU   31   2.80 +/- 0.17  91.142% * 99.4283% (0.80  10.0 10.00   6.01 231.33) =  99.992%  kept
        T HG2   LYS+ 121 - HG    LEU   31  21.45 +/- 7.18   1.130% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   24 - HG    LEU   31   8.85 +/- 0.99   4.092% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  10.53 +/- 1.01   1.930% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  20.20 +/- 3.67   0.344% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  24.44 +/- 3.25   0.180% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.95 +/- 1.83   0.560% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.80 +/- 2.07   0.622% *  0.0135% (0.11   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 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 = 231.3:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.01 100.000% *100.0000% (0.80  10.0 10.00   4.99 231.33) = 100.000%  kept
    Distance limit 3.30 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 = 231.3:
    * O T QD2   LEU   31 - HG    LEU   31   2.10 +/- 0.01  93.345% * 99.6345% (0.80  10.0 10.00   5.89 231.33) =  99.986%  kept
        T QG2   VAL   43 - HG    LEU   31   8.01 +/- 3.23   4.500% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.012%
          QG2   VAL   83 - HG    LEU   31  12.47 +/- 5.08   1.558% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  13.79 +/- 3.54   0.597% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.3:
    *   T HA    LEU   31 - QD1   LEU   31   3.60 +/- 0.19 100.000% *100.0000% (1.00 10.00   4.85 231.33) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T HB2   LEU   31 - QD1   LEU   31   2.62 +/- 0.14  71.368% * 99.2507% (1.00  10.0 10.00   4.86 231.33) =  99.975%  kept
          HG    LEU   98 - QD1   LEU   31   8.09 +/- 4.63  16.710% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.012%
          HG2   LYS+  99 - QD1   LEU   31  10.64 +/- 3.16   2.594% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD1   LEU   31  13.25 +/- 5.37   2.066% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD1   LEU   31  13.13 +/- 2.96   1.376% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.002%
          HB3   ASP-  44 - QD1   LEU   31  11.30 +/- 2.03   1.322% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD1   LEU   31  11.04 +/- 1.22   1.107% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  12.81 +/- 3.81   1.329% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  14.04 +/- 3.99   0.938% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.14 +/- 4.55   0.530% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.43 +/- 3.24   0.216% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.97 +/- 2.53   0.445% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T HB3   LEU   31 - QD1   LEU   31   2.10 +/- 0.13  93.438% * 99.6763% (1.00  10.0 10.00   4.86 231.33) =  99.997%  kept
          QG1   VAL   24 - QD1   LEU   31   7.45 +/- 0.94   3.233% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QD1   LEU   31   9.83 +/- 0.87   1.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  16.55 +/- 3.18   0.279% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.35 +/- 6.18   0.814% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.77 +/- 1.96   0.505% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.63 +/- 2.12   0.588% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  20.01 +/- 2.72   0.140% *  0.0564% (0.57   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 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.98, residual support = 231.1:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.01  75.528% * 99.0822% (0.80  10.0 10.00   4.99 231.33) =  99.912%  kept
          QD2   LEU   73 - QD1   LEU   31   5.51 +/- 1.80   8.771% *  0.6935% (0.92   1.0  1.00   0.12   2.12) =   0.081%
          QG1   VAL   41 - QD1   LEU   31   5.45 +/- 2.69  14.959% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 121 - QD1   LEU   31  16.88 +/- 6.20   0.518% *  0.0701% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  15.19 +/- 1.78   0.224% *  0.1235% (1.00   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 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 = 231.3:
    * O T QD2   LEU   31 - QD1   LEU   31   1.99 +/- 0.06  85.265% * 99.6345% (1.00  10.0 10.00   4.62 231.33) =  99.966%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.39 +/- 3.27  10.496% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.031%
          QG2   VAL   83 - QD1   LEU   31   9.90 +/- 4.49   3.081% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - QD1   LEU   31  10.91 +/- 3.46   1.158% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.3:
    *   T HA    LEU   31 - QD2   LEU   31   2.98 +/- 0.66  91.874% * 99.9324% (1.00 10.00   5.74 231.33) =  99.994%  kept
        T HA    LEU   31 - QG2   VAL   43   9.23 +/- 2.87   8.126% *  0.0676% (0.07 10.00   0.02   0.02) =   0.006%
    Distance limit 3.07 A violated in 0 structures by 0.25 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 230.9:
    * O T HB2   LEU   31 - QD2   LEU   31   2.49 +/- 0.52  52.525% * 97.8559% (1.00  10.0 10.00   5.75 231.33) =  99.800%  kept
          HB3   ASP-  44 - QG2   VAL   43   5.81 +/- 0.70   9.445% *  0.9323% (0.05   1.0  1.00   3.52  16.67) =   0.171%  kept
        T QB    ALA   84 - QD2   LEU   31  12.90 +/- 3.61   0.854% *  0.4023% (0.41   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   98 - QD2   LEU   31   9.15 +/- 4.20   4.996% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  99 - QD2   LEU   31  11.62 +/- 2.99   2.230% *  0.0817% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD2   LEU   31  12.96 +/- 5.46   1.717% *  0.0944% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   31 - QG2   VAL   43   9.79 +/- 3.35   2.294% *  0.0662% (0.07   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD2   LEU   31  12.82 +/- 3.33   0.961% *  0.0878% (0.90   1.0  1.00   0.02   0.27) =   0.002%
          HB3   ASP-  44 - QD2   LEU   31  11.29 +/- 1.60   1.015% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD2   LEU   31  11.23 +/- 1.11   0.927% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QG2   VAL   43   8.47 +/- 2.98   5.695% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   31  18.44 +/- 4.41   0.424% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   6.88 +/- 1.71   7.094% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  14.60 +/- 3.53   0.494% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.76 +/- 3.01   0.159% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  16.01 +/- 2.15   0.337% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.28 +/- 1.73   1.626% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   8.07 +/- 1.62   2.631% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.83 +/- 1.38   0.699% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   9.58 +/- 2.32   1.479% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43  10.06 +/- 1.74   1.412% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.74 +/- 2.36   0.398% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.66 +/- 1.04   0.341% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.92 +/- 2.82   0.246% *  0.0043% (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 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.3:
    * O T HB3   LEU   31 - QD2   LEU   31   2.93 +/- 0.28  56.005% * 99.5873% (1.00  10.0 10.00   5.75 231.33) =  99.984%  kept
        T HB3   LEU   31 - QG2   VAL   43   9.28 +/- 3.41   3.941% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   24 - QD2   LEU   31   6.73 +/- 0.85   5.468% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - QD2   LEU   31   8.41 +/- 0.85   3.136% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - QD2   LEU   31  16.76 +/- 2.93   0.528% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   VAL   43   8.68 +/- 3.54  16.913% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD2   LEU   31  18.03 +/- 5.88   1.197% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   VAL   43   8.82 +/- 2.87   4.113% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  20.14 +/- 3.24   0.227% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.22 +/- 1.65   0.692% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.05 +/- 1.77   0.779% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.58 +/- 2.30   0.998% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.17 +/- 1.23   2.288% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.61 +/- 1.15   2.614% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  15.73 +/- 2.86   0.462% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  16.14 +/- 4.15   0.639% *  0.0019% (0.02   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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.799, support = 5.87, residual support = 230.4:
    * O T HG    LEU   31 - QD2   LEU   31   2.10 +/- 0.01  51.997% * 98.1697% (0.80  10.0 10.00   5.89 231.33) =  99.581%  kept
          QD2   LEU   73 - QD2   LEU   31   4.72 +/- 1.77  13.501% *  0.6871% (0.92   1.0  1.00   0.12   2.12) =   0.181%  kept
          QG1   VAL   41 - QD2   LEU   31   5.58 +/- 2.86  12.328% *  0.5828% (0.25   1.0  1.00   0.38   0.02) =   0.140%  kept
          QD2   LEU   73 - QG2   VAL   43   4.32 +/- 1.37  16.768% *  0.2872% (0.06   1.0  1.00   0.75   7.51) =   0.094%
        T HG    LEU   31 - QG2   VAL   43   8.01 +/- 3.23   2.049% *  0.0664% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - QD2   LEU   31  17.60 +/- 5.82   0.305% *  0.0694% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.26 +/- 1.90   0.158% *  0.1223% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.25 +/- 0.82   2.238% *  0.0021% (0.02   1.0  1.00   0.02   1.33) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.80 +/- 1.94   0.370% *  0.0083% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  15.54 +/- 4.22   0.286% *  0.0047% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.3:
    * O T QD1   LEU   31 - QD2   LEU   31   1.99 +/- 0.06  89.033% * 99.9324% (1.00  10.0 10.00   4.62 231.33) =  99.992%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.39 +/- 3.27  10.967% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.008%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.69, support = 3.43, residual support = 39.1:
    * O T QB    GLN   32 - HA    GLN   32   2.49 +/- 0.05  43.753% * 48.6885% (0.69  10.0 10.00   3.21  45.30) =  79.647%  kept
        T QB    GLN   32 - HA    LYS+  33   4.00 +/- 0.10  10.671% * 50.1038% (0.71   1.0 10.00   4.38  15.28) =  19.990%  kept
        T QB    GLN   32 - HA    GLU-  29   2.92 +/- 0.39  29.881% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.354%  kept
          HB2   GLU-  14 - HA    GLU-  29  15.56 +/- 3.89  10.628% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    GLN   32  13.23 +/- 4.16   0.888% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    GLN   32  20.33 +/- 4.34   0.464% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    LYS+  33  14.22 +/- 3.85   0.501% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.81 +/- 0.46   0.549% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  14.53 +/- 0.58   0.223% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.97 +/- 4.99   0.095% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  19.25 +/- 4.04   0.198% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.59 +/- 4.11   0.342% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.34 +/- 0.45   0.157% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  15.88 +/- 4.05   0.737% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  30.78 +/- 4.52   0.054% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.04 +/- 3.03   0.048% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.60 +/- 4.28   0.147% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  26.40 +/- 2.76   0.042% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.44 +/- 2.96   0.516% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.96 +/- 4.39   0.060% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  25.99 +/- 3.04   0.046% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.33, residual support = 41.4:
    * O T QG    GLN   32 - HA    GLN   32   2.16 +/- 0.12  79.237% * 46.3041% (0.69  10.0 10.00   3.21  45.30) =  87.563%  kept
        T QG    GLN   32 - HA    LYS+  33   4.62 +/- 0.52  10.057% * 47.6501% (0.71   1.0 10.00   4.55  15.28) =  11.436%  kept
        T QG    GLN   32 - HA    GLU-  29   4.82 +/- 0.42   7.873% *  5.2994% (0.45   1.0 10.00   0.35   0.02) =   0.996%  kept
        T HB2   GLU- 100 - HA    GLN   32  13.38 +/- 4.18   0.705% *  0.1287% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU- 100 - HA    LYS+  33  14.51 +/- 3.55   0.450% *  0.1325% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU- 100 - HA    GLU-  29  16.60 +/- 4.10   0.396% *  0.0838% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU-  29  17.86 +/- 4.66   0.249% *  0.0261% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  20.17 +/- 3.71   0.135% *  0.0402% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  20.79 +/- 3.60   0.119% *  0.0413% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.04 +/- 3.17   0.041% *  0.0943% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  28.40 +/- 3.29   0.043% *  0.0596% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.52 +/- 1.86   0.078% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.83 +/- 2.14   0.066% *  0.0289% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.06 +/- 2.16   0.076% *  0.0183% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.86 +/- 2.48   0.087% *  0.0103% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.08 +/- 1.55   0.069% *  0.0106% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  20.81 +/- 2.53   0.101% *  0.0067% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.51 +/- 3.49   0.058% *  0.0103% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.23 +/- 4.04   0.054% *  0.0106% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  25.35 +/- 4.28   0.065% *  0.0067% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  28.08 +/- 2.48   0.041% *  0.0092% (0.14   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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.705, support = 3.43, residual support = 38.6:
    * O T HA    GLN   32 - QB    GLN   32   2.49 +/- 0.05  51.182% * 46.7473% (0.69  10.0 10.00   3.21  45.30) =  78.092%  kept
        T HA    LYS+  33 - QB    GLN   32   4.00 +/- 0.10  12.499% * 52.0093% (0.76   1.0 10.00   4.38  15.28) =  21.217%  kept
        T HA    GLU-  29 - QB    GLN   32   2.92 +/- 0.39  34.475% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.687%  kept
          HA    VAL   18 - QB    GLN   32  12.80 +/- 2.31   0.890% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - QB    GLN   32  26.18 +/- 3.59   0.086% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  21.00 +/- 7.78   0.276% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    GLN   32  14.74 +/- 2.00   0.304% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.33 +/- 3.76   0.133% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  23.20 +/- 4.94   0.088% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  24.41 +/- 2.57   0.068% *  0.0305% (0.45   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 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 = 3.18, residual support = 45.3:
    * O T QG    GLN   32 - QB    GLN   32   2.10 +/- 0.03  98.792% * 99.7611% (1.00  10.0 10.00   3.18  45.30) =  99.999%  kept
          QG    GLU-  79 - QB    GLN   32  17.66 +/- 3.76   0.252% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.63 +/- 3.38   0.565% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.99 +/- 1.86   0.108% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.82 +/- 2.16   0.130% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  23.30 +/- 3.42   0.090% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  25.80 +/- 2.61   0.063% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.7, support = 3.31, residual support = 40.8:
    * O T HA    GLN   32 - QG    GLN   32   2.16 +/- 0.12  80.442% * 42.4593% (0.69  10.0 10.00   3.21  45.30) =  85.908%  kept
        T HA    LYS+  33 - QG    GLN   32   4.62 +/- 0.52  10.210% * 47.2386% (0.76   1.0 10.00   4.55  15.28) =  12.131%  kept
        T HA    GLU-  29 - QG    GLN   32   4.82 +/- 0.42   7.993% *  9.7485% (0.90   1.0 10.00   0.35   0.02) =   1.960%  kept
          HA    VAL   18 - QG    GLN   32  14.27 +/- 2.29   0.541% *  0.0571% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN  116 - QG    GLN   32  25.41 +/- 2.66   0.061% *  0.2771% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  22.41 +/- 7.58   0.200% *  0.0597% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.87 +/- 4.20   0.131% *  0.0571% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  15.54 +/- 1.92   0.256% *  0.0277% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  24.27 +/- 4.93   0.082% *  0.0449% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.63 +/- 4.10   0.085% *  0.0301% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 45.3:
    * O T QB    GLN   32 - QG    GLN   32   2.10 +/- 0.03  95.521% * 99.6746% (1.00  10.0 10.00   3.18  45.30) =  99.998%  kept
          HG3   GLU- 100 - QG    GLN   32  12.91 +/- 3.69   1.020% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - QG    GLN   32  19.98 +/- 3.87   0.500% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  14.69 +/- 4.06   2.416% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  13.74 +/- 0.80   0.354% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.44 +/- 4.56   0.119% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  25.00 +/- 2.90   0.069% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 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 = 0.986, support = 6.45, residual support = 154.0:
    * O T QB    LYS+  33 - HA    LYS+  33   2.19 +/- 0.05  74.191% * 77.0328% (1.00  10.0 10.00   6.49 156.63) =  98.178%  kept
        T QB    LYS+  33 - HA    GLN   32   5.38 +/- 0.16   5.057% * 19.8106% (0.26   1.0 10.00   4.91  15.28) =   1.721%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.56 +/- 1.11   6.553% *  0.8457% (0.28   1.0 10.00   0.08   0.02) =   0.095%
        T QB    LYS+  81 - HA    LYS+  33  24.90 +/- 4.60   0.070% *  0.7434% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    LYS+  33  19.27 +/- 4.06   0.471% *  0.0711% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  21.53 +/- 6.08   0.161% *  0.2076% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.86 +/- 0.41   1.668% *  0.0192% (0.25   1.0  1.00   0.02   0.30) =   0.001%
          HB3   LYS+  38 - HA    LYS+  33   9.97 +/- 0.73   0.910% *  0.0317% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.06 +/- 4.53   1.353% *  0.0183% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.86 +/- 0.30   4.026% *  0.0054% (0.07   1.0  1.00   0.02  26.36) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  23.65 +/- 5.36   0.095% *  0.1912% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.55 +/- 3.67   0.149% *  0.0729% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.66 +/- 0.20   1.765% *  0.0049% (0.06   1.0  1.00   0.02   1.75) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.43 +/- 2.98   0.104% *  0.0755% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.26 +/- 2.22   0.104% *  0.0729% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  30.80 +/- 3.74   0.039% *  0.1921% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  21.24 +/- 4.53   0.371% *  0.0199% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.35 +/- 5.17   0.326% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.78 +/- 1.14   0.727% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.05 +/- 4.41   0.180% *  0.0203% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.71 +/- 3.23   0.150% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.02 +/- 4.13   0.055% *  0.0494% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  29.28 +/- 2.92   0.034% *  0.0764% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.32 +/- 3.43   0.035% *  0.0743% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.50 +/- 2.68   0.123% *  0.0203% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.06 +/- 1.44   0.281% *  0.0088% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.94 +/- 2.81   0.123% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.15 +/- 3.52   0.044% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.50 +/- 2.81   0.101% *  0.0211% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.29 +/- 2.95   0.044% *  0.0436% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  27.45 +/- 5.69   0.086% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  26.24 +/- 4.36   0.055% *  0.0213% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.11 +/- 4.28   0.049% *  0.0208% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  27.41 +/- 4.11   0.046% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  29.95 +/- 3.65   0.038% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.51 +/- 2.76   0.048% *  0.0122% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.75 +/- 3.11   0.047% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.81 +/- 2.49   0.038% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  27.53 +/- 5.31   0.083% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.81 +/- 5.58   0.080% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.38 +/- 3.62   0.068% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.50 +/- 3.40   0.052% *  0.0031% (0.04   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 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.957, support = 6.14, residual support = 148.4:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.40 +/- 0.23  45.222% * 75.8355% (1.00  10.0 10.00   6.27 156.63) =  94.189%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.70 +/- 0.72  10.375% * 19.5027% (0.26   1.0 10.00   4.27  15.28) =   5.557%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.25 +/- 0.99   8.576% *  0.8326% (0.28   1.0 10.00   0.08   0.02) =   0.196%  kept
          QB    ALA   12 - HA    LYS+  33  13.18 +/- 4.18  10.599% *  0.0607% (0.80   1.0  1.00   0.02   0.02) =   0.018%
        T HG3   LYS+ 102 - HA    LYS+  33  19.31 +/- 4.31   0.391% *  0.7174% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  65 - HA    LYS+  33  21.00 +/- 2.53   0.280% *  0.7516% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - HA    GLN   32  17.13 +/- 5.78   0.916% *  0.1845% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+  33  22.05 +/- 2.92   0.204% *  0.6072% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  33  13.25 +/- 2.16   1.047% *  0.0732% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HA    GLU-  29  19.52 +/- 4.83   0.372% *  0.2003% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLU-  29  20.74 +/- 2.90   0.342% *  0.2099% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLN   32  20.27 +/- 3.97   0.313% *  0.1562% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    GLN   32  21.57 +/- 2.37   0.221% *  0.1933% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+  33  15.11 +/- 0.82   0.558% *  0.0752% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  21.34 +/- 3.27   0.242% *  0.1695% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  13.84 +/- 2.62   0.966% *  0.0399% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  12.00 +/- 2.59   1.670% *  0.0204% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLN   32  15.43 +/- 4.64   1.822% *  0.0156% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  12.23 +/- 3.73   1.935% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  15.15 +/- 4.27   1.150% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  13.41 +/- 2.29   0.960% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.79 +/- 1.42   0.636% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  15.06 +/- 3.67   1.046% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.77 +/- 3.36   1.086% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.97 +/- 1.69   0.519% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.85 +/- 1.54   0.425% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  13.43 +/- 4.92   2.480% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  29.79 +/- 3.67   0.085% *  0.0680% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  25.13 +/- 7.54   0.248% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  21.93 +/- 3.29   0.219% *  0.0169% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.47 +/- 1.76   0.569% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.17 +/- 4.29   0.976% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  23.23 +/- 6.02   0.264% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.97 +/- 2.01   0.119% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  19.63 +/- 7.12   0.661% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.18 +/- 1.35   0.393% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  19.14 +/- 4.47   0.418% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  28.79 +/- 4.04   0.093% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  28.81 +/- 3.26   0.092% *  0.0175% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  20.51 +/- 4.20   0.320% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  24.21 +/- 7.87   0.275% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  21.84 +/- 6.54   0.398% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  25.33 +/- 6.99   0.209% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.27 +/- 2.56   0.169% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.96 +/- 2.18   0.141% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.96, support = 4.9, residual support = 148.8:
    *   T QD    LYS+  33 - HA    LYS+  33   3.59 +/- 0.58  67.566% * 75.0896% (1.00 10.00   5.02 156.63) =  94.561%  kept
        T QD    LYS+  33 - HA    GLN   32   6.76 +/- 0.68  11.744% * 19.3109% (0.26 10.00   3.37  15.28) =   4.227%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.63 +/- 0.90  15.198% *  4.2613% (0.28 10.00   0.41   0.02) =   1.207%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  33.10 +/- 3.87   0.107% *  0.6734% (0.90 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  21.75 +/- 3.05   0.477% *  0.0651% (0.87  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+  33  28.37 +/- 6.63   0.412% *  0.0751% (1.00  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  31.56 +/- 4.25   0.142% *  0.1880% (0.25 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  33  18.45 +/- 1.46   0.568% *  0.0425% (0.57  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.60 +/- 4.09   0.136% *  0.1732% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.16 +/- 3.52   0.620% *  0.0182% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.52 +/- 3.00   0.645% *  0.0168% (0.22  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.20 +/- 1.31   0.727% *  0.0119% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  28.68 +/- 5.93   0.337% *  0.0210% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.71 +/- 1.35   0.547% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.80 +/- 6.38   0.296% *  0.0193% (0.26  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  30.96 +/- 3.48   0.136% *  0.0149% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.65 +/- 4.36   0.182% *  0.0041% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  30.60 +/- 3.62   0.160% *  0.0038% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.802, support = 5.28, residual support = 119.6:
    *   T QE    LYS+  33 - HA    LYS+  33   3.56 +/- 0.93  32.100% * 49.9151% (1.00 10.00   5.69 156.63) =  73.133%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.26 +/- 0.16  19.682% * 13.6598% (0.27 10.00   5.76  32.38) =  12.272%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.50 +/- 0.32   9.122% * 17.0264% (0.34 10.00   2.83   5.28) =   7.089%  kept
        T HB2   ASN   35 - HA    GLN   32   4.72 +/- 0.98  18.339% *  4.3787% (0.09 10.00   2.05   3.63) =   3.665%  kept
        T QE    LYS+  33 - HA    GLN   32   6.31 +/- 1.42   6.218% * 12.8367% (0.26 10.00   3.62  15.28) =   3.643%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.89 +/- 1.42   5.729% *  0.5480% (0.28 10.00   0.08   0.02) =   0.143%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.80 +/- 0.73   1.249% *  0.4893% (0.98 10.00   0.02   0.02) =   0.028%
        T HB2   ASN   28 - HA    GLN   32   8.65 +/- 0.46   2.468% *  0.1258% (0.25 10.00   0.02   0.02) =   0.014%
        T QE    LYS+  65 - HA    LYS+  33  19.84 +/- 2.34   0.205% *  0.4477% (0.90 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   35 - HA    GLU-  29   9.82 +/- 1.08   1.660% *  0.0475% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLU-  29  19.47 +/- 2.64   0.217% *  0.1250% (0.25 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HA    GLN   32  20.43 +/- 1.95   0.171% *  0.1151% (0.23 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LYS+  33  21.90 +/- 2.49   0.161% *  0.1111% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  19.07 +/- 3.34   0.286% *  0.0310% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  23.74 +/- 6.21   0.199% *  0.0343% (0.69  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  21.29 +/- 2.72   0.185% *  0.0286% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  20.37 +/- 6.98   0.435% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  21.45 +/- 7.25   0.424% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.70 +/- 2.30   0.094% *  0.0323% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  17.59 +/- 3.30   0.339% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  22.55 +/- 3.17   0.153% *  0.0090% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.98 +/- 2.70   0.107% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  18.88 +/- 3.35   0.282% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  20.77 +/- 2.80   0.177% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 6.44, residual support = 153.5:
    * O T HA    LYS+  33 - QB    LYS+  33   2.19 +/- 0.05  80.122% * 75.6336% (1.00  10.0 10.00   6.49 156.63) =  97.815%  kept
        T HA    GLN   32 - QB    LYS+  33   5.38 +/- 0.16   5.459% * 21.0290% (0.28   1.0 10.00   4.91  15.28) =   1.853%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.56 +/- 1.11   7.066% *  2.8702% (0.97   1.0 10.00   0.08   0.02) =   0.327%  kept
          HA    VAL   18 - QB    LYS+  33  10.36 +/- 1.87   1.851% *  0.0715% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QB    LYS+  33   6.42 +/- 0.93   4.236% *  0.0168% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33  12.28 +/- 2.40   0.750% *  0.0656% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  21.93 +/- 6.37   0.173% *  0.0678% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.41 +/- 3.09   0.070% *  0.1167% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.69 +/- 3.19   0.101% *  0.0656% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.50 +/- 3.12   0.101% *  0.0398% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  24.14 +/- 3.38   0.072% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 156.6:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.50 +/- 0.09  77.228% * 96.3761% (1.00  10.0 10.00   6.31 156.63) =  99.964%  kept
          QB    ALA   12 - QB    LYS+  33  11.15 +/- 3.51  16.422% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.017%
        T QB    LEU   98 - QB    LYS+  33  12.29 +/- 2.11   0.825% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - QB    LYS+  33  17.44 +/- 2.42   0.295% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QB    LYS+  33  17.66 +/- 3.39   0.303% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - QB    LYS+  33  10.35 +/- 2.11   1.634% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QB    LYS+  33  19.35 +/- 2.51   0.196% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+  33  12.87 +/- 1.06   0.588% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  13.50 +/- 1.63   0.548% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  13.34 +/- 2.92   0.808% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  22.02 +/- 6.51   0.395% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  25.76 +/- 3.67   0.091% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  18.69 +/- 2.86   0.233% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  19.50 +/- 5.44   0.310% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.13 +/- 2.02   0.125% *  0.0240% (0.25   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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 156.6:
    * O T QD    LYS+  33 - QB    LYS+  33   2.13 +/- 0.12  98.889% * 97.3258% (1.00  10.0 10.00   5.03 156.63) =  99.993%  kept
        T HB3   LEU  123 - QB    LYS+  33  24.85 +/- 5.91   0.444% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - QB    LYS+  33  14.99 +/- 1.57   0.327% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  28.80 +/- 3.64   0.057% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  18.54 +/- 2.91   0.215% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.48 +/- 3.25   0.068% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 156.3:
    *   T QE    LYS+  33 - QB    LYS+  33   2.91 +/- 0.36  85.677% * 96.4954% (1.00 10.00   5.76 156.63) =  99.785%  kept
          HB2   ASN   35 - QB    LYS+  33   6.79 +/- 0.35   7.606% *  2.1862% (0.34  1.00   1.33   5.28) =   0.201%  kept
        T QE    LYS+  65 - QB    LYS+  33  16.48 +/- 2.29   0.722% *  0.8654% (0.90 10.00   0.02   0.02) =   0.008%
          HB2   ASN   28 - QB    LYS+  33   8.85 +/- 0.99   3.720% *  0.0946% (0.98  1.00   0.02   0.02) =   0.004%
        T HB2   ASP-  76 - QB    LYS+  33  18.11 +/- 2.38   0.488% *  0.2148% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  20.43 +/- 5.32   0.452% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.50 +/- 2.19   0.259% *  0.0624% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  15.32 +/- 2.80   1.075% *  0.0149% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.955, support = 6.1, residual support = 146.8:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.40 +/- 0.23  42.997% * 72.6753% (1.00  10.0 10.00   6.27 156.63) =  93.152%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.70 +/- 0.72  10.082% * 20.2064% (0.28   1.0 10.00   4.27  15.28) =   6.073%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.25 +/- 0.99   8.677% *  2.7580% (0.97   1.0 10.00   0.08   0.02) =   0.713%  kept
          HA    SER   48 - HG3   LYS+  65  13.86 +/- 5.46   7.239% *  0.0330% (0.45   1.0  1.00   0.02   0.02) =   0.007%
          HA    VAL   18 - HG3   LYS+  65  11.14 +/- 4.16   3.311% *  0.0594% (0.82   1.0  1.00   0.02   0.02) =   0.006%
          HB2   SER   37 - HG3   LYS+  33   6.96 +/- 1.88  11.074% *  0.0162% (0.22   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLU-  29 - HG3   LYS+  65  20.74 +/- 2.90   0.269% *  0.6057% (0.83   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  33 - HG3   LYS+  65  21.00 +/- 2.53   0.230% *  0.6276% (0.86   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HG3   LYS+  33  10.46 +/- 1.76   1.977% *  0.0687% (0.95   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - HG3   LYS+ 102  19.31 +/- 4.31   0.361% *  0.3610% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 102  19.52 +/- 4.83   0.347% *  0.3484% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 106  21.34 +/- 3.27   0.224% *  0.4457% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  33  12.49 +/- 2.55   1.432% *  0.0630% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  22.05 +/- 2.92   0.187% *  0.4618% (0.64   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+ 102  17.13 +/- 5.78   0.845% *  0.1004% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  65  12.20 +/- 1.03   1.053% *  0.0544% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  20.27 +/- 3.97   0.288% *  0.1284% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+  65  21.57 +/- 2.37   0.198% *  0.1745% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  15.22 +/- 3.94   0.692% *  0.0401% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  16.33 +/- 3.81   0.639% *  0.0401% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  65  16.47 +/- 1.91   0.442% *  0.0544% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  24.04 +/- 7.12   0.279% *  0.0652% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+ 106  18.14 +/- 4.11   0.411% *  0.0437% (0.60   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  20.21 +/- 3.11   0.249% *  0.0713% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+ 106  19.74 +/- 3.79   0.344% *  0.0414% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  22.95 +/- 5.62   0.440% *  0.0324% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  21.53 +/- 3.64   0.233% *  0.0563% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.55 +/- 3.60   0.866% *  0.0143% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  18.68 +/- 3.73   0.353% *  0.0313% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  16.34 +/- 4.75   1.024% *  0.0097% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.11 +/- 3.13   0.134% *  0.0630% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.25 +/- 4.29   0.229% *  0.0342% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.17 +/- 3.56   0.198% *  0.0382% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  22.45 +/- 4.83   0.368% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.73 +/- 2.23   0.280% *  0.0243% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.29 +/- 2.57   0.361% *  0.0140% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  24.01 +/- 4.20   0.150% *  0.0313% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.17 +/- 3.96   0.194% *  0.0190% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.92 +/- 5.06   0.313% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  18.65 +/- 4.23   0.418% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.22 +/- 4.02   0.119% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.50 +/- 2.91   0.230% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.31 +/- 3.53   0.143% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.87 +/- 3.55   0.100% *  0.0056% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.832, support = 6.12, residual support = 145.5:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.50 +/- 0.09  34.995% * 52.3266% (1.00  10.0 10.00   6.31 156.63) =  58.170%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.39 +/- 0.10  39.999% * 31.4540% (0.60  10.0 10.00   5.93 135.04) =  39.966%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.50 +/- 1.12   6.193% *  5.3436% (0.47   1.0  1.00   4.35  23.47) =   1.051%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.68 +/- 0.57   3.307% *  7.5212% (0.62   1.0  1.00   4.62  24.44) =   0.790%  kept
        T QB    LYS+ 106 - HG3   LYS+ 102  10.86 +/- 1.17   0.482% *  0.2459% (0.47   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE  103 - HG3   LYS+ 106   6.33 +/- 2.18   3.608% *  0.0315% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+  65  16.87 +/- 3.30   0.238% *  0.4274% (0.82   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  33 - HG3   LYS+  65  17.44 +/- 2.42   0.144% *  0.4519% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   5.45 +/- 0.77   4.074% *  0.0130% (0.25   1.0  1.00   0.02   0.30) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  18.75 +/- 2.46   0.096% *  0.4950% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HG3   LYS+ 102  17.66 +/- 3.39   0.135% *  0.2599% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  19.35 +/- 2.51   0.086% *  0.3325% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  65  11.20 +/- 1.48   0.487% *  0.0417% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  33  17.33 +/- 3.62   0.309% *  0.0483% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.65 +/- 1.26   0.520% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  20.90 +/- 5.53   0.236% *  0.0448% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.70 +/- 1.40   0.413% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.27 +/- 3.21   0.213% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  18.17 +/- 4.34   0.169% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.15 +/- 2.30   0.265% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.54 +/- 3.61   0.131% *  0.0495% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  15.49 +/- 2.38   0.183% *  0.0330% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.13 +/- 3.05   0.148% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.83 +/- 3.05   0.092% *  0.0513% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  17.77 +/- 5.75   0.636% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  19.35 +/- 2.50   0.087% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.58 +/- 4.57   0.122% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.66 +/- 4.23   0.323% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  23.05 +/- 4.70   0.065% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  21.93 +/- 3.27   0.076% *  0.0427% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  17.98 +/- 4.86   0.150% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  16.74 +/- 5.60   0.206% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  15.75 +/- 2.11   0.182% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.47 +/- 3.06   0.059% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  22.55 +/- 4.02   0.073% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  27.31 +/- 3.13   0.030% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  27.85 +/- 3.25   0.031% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  22.62 +/- 3.44   0.060% *  0.0258% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.01 +/- 2.47   0.077% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  18.58 +/- 3.18   0.126% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  23.32 +/- 3.44   0.054% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.44 +/- 5.39   0.099% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.89 +/- 2.57   0.040% *  0.0296% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  20.02 +/- 3.30   0.080% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.20 +/- 2.22   0.211% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.64 +/- 4.85   0.119% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  18.19 +/- 2.79   0.109% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.62 +/- 3.73   0.119% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.99 +/- 3.93   0.091% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.81 +/- 3.36   0.024% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  26.73 +/- 4.15   0.035% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.35 +/- 3.47   0.038% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.44 +/- 2.74   0.037% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  25.63 +/- 5.79   0.045% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.31 +/- 2.60   0.047% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.08 +/- 3.72   0.027% *  0.0065% (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 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 = 4.63, residual support = 156.6:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.40 +/- 0.16  89.044% * 94.8130% (1.00  10.0 10.00   4.63 156.63) =  99.982%  kept
        T QD    LYS+  33 - HG3   LYS+  65  16.75 +/- 2.83   0.424% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HG3   LYS+ 106  16.32 +/- 3.02   0.458% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HG3   LYS+  65   8.34 +/- 2.54   4.561% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG3   LYS+ 102  18.53 +/- 3.41   0.253% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 106  19.63 +/- 2.97   0.190% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+  65  11.25 +/- 2.45   1.501% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.72 +/- 2.84   0.139% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  30.96 +/- 4.12   0.053% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+ 102  26.17 +/- 3.64   0.107% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  33  26.47 +/- 6.28   0.343% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.23 +/- 3.28   0.481% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  15.75 +/- 1.49   0.370% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  19.81 +/- 2.98   0.231% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  20.37 +/- 3.52   0.221% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  20.23 +/- 5.20   0.227% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.19 +/- 2.32   0.286% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.79 +/- 3.12   0.393% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.28 +/- 3.04   0.234% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.79 +/- 2.96   0.142% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  26.62 +/- 6.60   0.104% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  23.17 +/- 3.10   0.123% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.46 +/- 3.32   0.069% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.54 +/- 3.26   0.049% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.91, support = 4.92, residual support = 156.8:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.52 +/- 0.55  48.602% * 54.6859% (1.00  10.0 10.00   5.31 156.63) =  59.926%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.64 +/- 0.48  41.952% * 42.3520% (0.77  10.0 10.00   4.34 157.13) =  40.060%  kept
        T HB2   ASP-  76 - HG3   LYS+  65  12.68 +/- 3.19   0.887% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+  65  17.10 +/- 2.73   0.186% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+  33  17.58 +/- 2.40   0.172% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+ 106  18.50 +/- 3.33   0.207% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.58 +/- 0.79   0.936% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.51 +/- 2.93   0.122% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.56 +/- 0.52   2.112% *  0.0187% (0.34   1.0  1.00   0.02   5.28) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  18.14 +/- 3.76   0.143% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+ 106  17.38 +/- 3.05   0.344% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.59 +/- 3.29   0.085% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  14.78 +/- 3.97   0.573% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.39 +/- 2.88   0.109% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.20 +/- 4.17   0.552% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.00 +/- 3.30   0.158% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  17.80 +/- 5.90   0.368% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  22.84 +/- 3.57   0.095% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  20.48 +/- 3.86   0.166% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.32 +/- 3.45   0.232% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.71 +/- 5.70   0.191% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.46 +/- 3.77   0.137% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  22.16 +/- 6.02   0.104% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.16 +/- 2.22   0.447% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  17.08 +/- 6.14   0.334% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.23 +/- 2.62   0.062% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  16.05 +/- 2.81   0.256% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  21.31 +/- 3.79   0.114% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.93 +/- 2.42   0.081% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.12 +/- 3.38   0.057% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.90 +/- 4.46   0.127% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  22.06 +/- 4.61   0.091% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.966, support = 4.76, residual support = 143.9:
    *   T HA    LYS+  33 - QD    LYS+  33   3.59 +/- 0.58  48.327% * 66.5165% (1.00 10.00   5.02 156.63) =  91.406%  kept
        T HA    GLN   32 - QD    LYS+  33   6.76 +/- 0.68   8.489% * 18.4941% (0.28 10.00   3.37  15.28) =   4.464%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.63 +/- 0.90  11.048% * 13.0483% (0.97 10.00   0.41   0.02) =   4.099%  kept
          HA    VAL   18 - QD    LYS+  33   9.27 +/- 2.08   5.424% *  0.0629% (0.95  1.00   0.02   0.02) =   0.010%
          HB2   SER   37 - QD    LYS+  33   6.46 +/- 1.94  17.643% *  0.0148% (0.22  1.00   0.02   0.02) =   0.007%
          HA    VAL   70 - QD    LYS+  33  11.78 +/- 2.60   2.595% *  0.0577% (0.87  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - HD3   LYS+ 111  12.15 +/- 0.95   1.513% *  0.0517% (0.78  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HD3   LYS+ 111  31.56 +/- 4.25   0.103% *  0.5752% (0.86 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  33.10 +/- 3.87   0.077% *  0.5961% (0.90 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  22.57 +/- 6.27   0.458% *  0.0597% (0.90  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  31.60 +/- 4.09   0.098% *  0.1657% (0.25 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  23.26 +/- 3.17   0.270% *  0.0577% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  19.51 +/- 3.11   0.489% *  0.0314% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  24.94 +/- 4.69   0.268% *  0.0535% (0.80  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.12 +/- 3.24   0.401% *  0.0350% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  25.56 +/- 4.57   0.224% *  0.0564% (0.85  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.16 +/- 4.05   1.236% *  0.0092% (0.14  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.93 +/- 4.56   0.207% *  0.0517% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  18.97 +/- 3.78   0.556% *  0.0184% (0.28  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  24.70 +/- 3.43   0.211% *  0.0205% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.02 +/- 3.16   0.276% *  0.0103% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.43 +/- 3.48   0.086% *  0.0133% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 5.02, residual support = 156.5:
    * O T QB    LYS+  33 - QD    LYS+  33   2.13 +/- 0.12  87.061% * 92.8932% (1.00  10.0 10.00   5.03 156.63) =  99.899%  kept
          HB3   GLN   30 - QD    LYS+  33   5.99 +/- 0.76   4.942% *  1.3950% (0.25   1.0  1.00   1.20   0.30) =   0.085%
        T HG3   PRO   68 - QD    LYS+  33  15.87 +/- 3.25   0.461% *  0.8575% (0.92   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HD3   LYS+ 111  18.06 +/- 3.72   0.313% *  0.8034% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HD3   LYS+ 111  25.51 +/- 5.69   0.106% *  0.7684% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   LYS+ 111  13.13 +/- 2.52   0.923% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  25.31 +/- 2.92   0.066% *  0.8965% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - QD    LYS+  33  23.49 +/- 5.05   0.251% *  0.2316% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  28.80 +/- 3.64   0.050% *  0.8324% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.35 +/- 1.37   1.070% *  0.0382% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HD3   LYS+ 111  21.20 +/- 3.48   0.436% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  17.21 +/- 3.26   0.401% *  0.0816% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  17.98 +/- 1.39   0.153% *  0.2076% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  16.56 +/- 3.47   0.283% *  0.0825% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  14.54 +/- 3.12   0.472% *  0.0471% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  19.05 +/- 3.20   0.196% *  0.0911% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.16 +/- 2.98   0.181% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  14.05 +/- 5.01   0.735% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.96 +/- 2.27   0.173% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.52 +/- 3.85   1.098% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  20.70 +/- 3.78   0.136% *  0.0803% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  21.41 +/- 4.24   0.120% *  0.0896% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  25.53 +/- 2.93   0.058% *  0.0921% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.86 +/- 2.32   0.082% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  25.99 +/- 3.18   0.067% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.70 +/- 3.83   0.063% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.44 +/- 3.72   0.036% *  0.0342% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.53 +/- 2.63   0.066% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 155.6:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.40 +/- 0.16  79.498% * 79.1522% (1.00  10.0 10.00   4.63 156.63) =  99.224%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.96 +/- 1.13   3.144% * 15.1104% (0.80   1.0  1.00   4.75  29.02) =   0.749%  kept
          QB    ALA   12 - QD    LYS+  33  10.64 +/- 3.13   5.888% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - QD    LYS+  33  16.75 +/- 2.83   0.378% *  0.7845% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HD3   LYS+ 111  16.32 +/- 3.02   0.404% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QD    LYS+  33  18.53 +/- 3.41   0.226% *  0.7487% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QD    LYS+  33  10.20 +/- 2.54   1.512% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QD    LYS+  33  19.63 +/- 2.97   0.169% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.72 +/- 2.84   0.123% *  0.7030% (0.89   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  26.17 +/- 3.64   0.095% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  11.29 +/- 3.42   3.048% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.64 +/- 1.99   0.639% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  30.96 +/- 4.12   0.047% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  19.99 +/- 2.74   0.188% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  12.80 +/- 2.43   0.728% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  20.34 +/- 3.53   0.227% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.10 +/- 2.19   0.608% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.95 +/- 3.28   0.296% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.27 +/- 4.21   0.140% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.91 +/- 3.30   0.720% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  25.32 +/- 3.85   0.099% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.24 +/- 3.04   0.433% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.88 +/- 6.20   0.229% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.00 +/- 3.01   0.205% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.34 +/- 4.42   0.175% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  19.85 +/- 5.65   0.270% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.55 +/- 4.93   0.043% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.90 +/- 2.57   0.123% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  22.08 +/- 5.11   0.206% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.81 +/- 3.48   0.138% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 156.6:
    * O T QE    LYS+  33 - QD    LYS+  33   2.09 +/- 0.02  94.776% * 96.5704% (1.00  10.0 10.00   4.34 156.63) =  99.992%  kept
        T QE    LYS+  65 - QD    LYS+  33  15.82 +/- 2.68   0.361% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASN   28 - QD    LYS+  33   9.68 +/- 0.76   1.021% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD3   LYS+ 111  20.58 +/- 2.14   0.112% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HD3   LYS+ 111  21.59 +/- 4.70   0.322% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   7.94 +/- 0.61   1.877% *  0.0329% (0.34   1.0  1.00   0.02   5.28) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  28.75 +/- 3.75   0.047% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  18.03 +/- 2.84   0.186% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.53 +/- 5.41   0.262% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.21 +/- 4.95   0.238% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  21.16 +/- 5.17   0.147% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.40 +/- 2.59   0.101% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  14.68 +/- 2.78   0.382% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.79 +/- 4.35   0.049% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  27.14 +/- 5.29   0.082% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  33.08 +/- 4.08   0.037% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.96, support = 5.53, residual support = 147.6:
    *   T HA    LYS+  33 - QE    LYS+  33   3.56 +/- 0.93  31.716% * 74.2500% (1.00 10.00   5.69 156.63) =  93.712%  kept
        T HA    GLN   32 - QE    LYS+  33   6.31 +/- 1.42   6.433% * 20.6443% (0.28 10.00   3.62  15.28) =   5.284%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.89 +/- 1.42   7.760% *  2.8177% (0.97 10.00   0.08   0.02) =   0.870%  kept
          HA    VAL   18 - QE    LYS+  65  11.05 +/- 3.88   3.167% *  0.6281% (0.49  1.00   0.35   0.02) =   0.079%
          HB2   SER   37 - QE    LYS+  33   5.95 +/- 2.45  20.933% *  0.0165% (0.22  1.00   0.02   0.02) =   0.014%
          HA    VAL   18 - QE    LYS+  33   9.80 +/- 2.28   4.453% *  0.0702% (0.95  1.00   0.02   0.02) =   0.012%
          HA    VAL   70 - QE    LYS+  33  11.58 +/- 2.49   1.804% *  0.0644% (0.87  1.00   0.02   0.02) =   0.005%
        T HA    GLU-  29 - QE    LYS+  65  19.47 +/- 2.64   0.256% *  0.3684% (0.50 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - QE    LYS+  65  19.84 +/- 2.34   0.243% *  0.3817% (0.51 10.00   0.02   0.02) =   0.004%
          HA    SER   48 - QE    LYS+  65  12.52 +/- 4.37   4.528% *  0.0201% (0.27  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - QE    LYS+  65  12.42 +/- 1.28   1.246% *  0.0331% (0.45  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASP-  76  19.07 +/- 3.34   0.332% *  0.1069% (0.14 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  11.38 +/- 4.34   4.900% *  0.0058% (0.08  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  65  15.27 +/- 1.78   0.728% *  0.0331% (0.45  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QE    LYS+  65  20.43 +/- 1.95   0.215% *  0.1061% (0.14 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  65  19.19 +/- 4.28   0.649% *  0.0342% (0.46  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  21.90 +/- 2.49   0.194% *  0.1108% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  23.03 +/- 6.46   0.294% *  0.0666% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  10.98 +/- 1.26   1.646% *  0.0099% (0.13  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  14.57 +/- 4.04   2.383% *  0.0059% (0.08  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB2   ASP-  76  19.25 +/- 4.56   1.395% *  0.0096% (0.13  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QE    LYS+  33  22.59 +/- 3.48   0.257% *  0.0391% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  23.40 +/- 2.76   0.142% *  0.0644% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  14.68 +/- 4.90   0.774% *  0.0105% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  21.29 +/- 2.72   0.225% *  0.0308% (0.04 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  20.26 +/- 5.18   0.562% *  0.0118% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.99 +/- 3.55   0.148% *  0.0229% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  17.56 +/- 1.48   0.340% *  0.0096% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  17.50 +/- 2.37   0.376% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.10 +/- 1.57   0.617% *  0.0034% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.44 +/- 3.32   0.156% *  0.0115% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  15.47 +/- 3.20   0.949% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  21.65 +/- 1.80   0.181% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.07 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 156.6:
    *   T QB    LYS+  33 - QE    LYS+  33   2.91 +/- 0.36  60.469% * 97.7378% (1.00 10.00   5.76 156.63) =  99.951%  kept
          HB3   GLN   30 - QE    LYS+  33   6.52 +/- 0.78   6.743% *  0.2410% (0.25  1.00   0.20   0.30) =   0.027%
        T QB    LYS+  33 - QE    LYS+  65  16.48 +/- 2.29   0.511% *  0.5024% (0.51 10.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - QE    LYS+  65  11.33 +/- 1.78   2.297% *  0.0464% (0.47  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QE    LYS+  33   9.71 +/- 1.61   2.556% *  0.0402% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - QE    LYS+  33  15.75 +/- 3.28   0.928% *  0.0902% (0.92  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QE    LYS+  65  14.28 +/- 3.19   1.534% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+  65  18.77 +/- 5.79   1.357% *  0.0498% (0.51  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+  65  16.04 +/- 4.80   1.065% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  18.11 +/- 2.38   0.344% *  0.1458% (0.15 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.36 +/- 1.48   3.559% *  0.0141% (0.14  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  33  17.91 +/- 3.40   0.510% *  0.0925% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QE    LYS+  33  18.80 +/- 2.88   0.388% *  0.0958% (0.98  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+  65  12.93 +/- 2.59   1.237% *  0.0284% (0.29  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  33  17.88 +/- 2.40   0.378% *  0.0925% (0.95  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  65  15.87 +/- 3.09   0.715% *  0.0475% (0.49  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+  33  21.87 +/- 4.43   0.213% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  16.11 +/- 5.55   2.388% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  20.51 +/- 3.31   0.364% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  18.52 +/- 5.09   1.218% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  14.74 +/- 2.58   1.044% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.37 +/- 2.45   0.985% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  15.77 +/- 3.82   1.097% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  18.32 +/- 2.36   0.278% *  0.0492% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  19.09 +/- 3.24   0.871% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.76 +/- 2.84   0.108% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  25.84 +/- 2.74   0.102% *  0.0969% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.25 +/- 2.26   0.148% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.12 +/- 1.81   0.556% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  19.28 +/- 3.63   0.475% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  19.15 +/- 3.42   0.482% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  23.55 +/- 4.81   0.252% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.13 +/- 1.92   0.266% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  17.17 +/- 3.26   0.433% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.30 +/- 3.75   0.578% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  22.46 +/- 5.50   0.855% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  14.85 +/- 3.13   0.773% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.37 +/- 3.22   0.111% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.36 +/- 2.27   1.120% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.81 +/- 2.59   0.120% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.32 +/- 2.84   0.446% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  24.19 +/- 1.78   0.129% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 0.85, support = 5.01, residual support = 156.7:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.52 +/- 0.55  40.921% * 63.8684% (1.00  10.0 10.00   5.31 156.63) =  69.415%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.64 +/- 0.48  35.361% * 32.5421% (0.51  10.0 10.00   4.34 157.13) =  30.563%  kept
          QB    ALA   12 - QE    LYS+  33  10.91 +/- 3.10   2.213% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  33  17.10 +/- 2.73   0.157% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QE    LYS+  33  10.72 +/- 2.62   1.289% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QE    LYS+  33  18.14 +/- 3.76   0.120% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HB2   ASP-  76  12.68 +/- 3.19   0.745% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  33  19.51 +/- 2.93   0.102% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QE    LYS+  65  17.58 +/- 2.40   0.145% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  65  18.50 +/- 3.33   0.173% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.56 +/- 1.82   0.359% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  23.59 +/- 3.29   0.071% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HB2   ASP-  76  17.38 +/- 3.05   0.290% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  65  12.32 +/- 1.67   0.649% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  65  11.41 +/- 1.77   0.532% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  12.51 +/- 2.76   0.409% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  14.09 +/- 4.60   1.559% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65   9.38 +/- 2.01   1.224% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.39 +/- 2.88   0.092% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.23 +/- 2.18   0.269% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  22.84 +/- 3.57   0.080% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  13.34 +/- 3.63   0.837% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.64 +/- 2.17   0.340% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.18 +/- 1.50   0.599% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.27 +/- 1.51   3.736% *  0.0015% (0.02   1.0  1.00   0.02   1.35) =   0.000%
          QB    ALA   12 - QE    LYS+  65  17.03 +/- 4.09   0.200% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  15.58 +/- 2.34   0.263% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.37 +/- 1.11   1.638% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.64 +/- 3.79   0.406% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.14 +/- 5.61   0.428% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.55 +/- 1.08   1.722% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  25.54 +/- 3.49   0.050% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.26 +/- 1.37   0.277% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  15.30 +/- 3.96   0.479% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.82 +/- 6.47   0.111% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  19.32 +/- 3.18   0.120% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  20.30 +/- 5.75   0.162% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.10 +/- 2.51   0.192% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  14.78 +/- 2.09   0.284% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.48 +/- 2.67   0.557% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.15 +/- 2.35   0.065% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.89 +/- 4.41   0.118% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  21.11 +/- 4.35   0.330% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  17.45 +/- 2.02   0.140% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  16.69 +/- 2.61   0.185% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 156.6:
    * O T QD    LYS+  33 - QE    LYS+  33   2.09 +/- 0.02  88.344% * 97.4730% (1.00  10.0 10.00   4.34 156.63) =  99.993%  kept
        T QD    LYS+  33 - QE    LYS+  65  15.82 +/- 2.68   0.337% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QE    LYS+  65   8.23 +/- 1.90   2.316% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65  10.11 +/- 2.86   1.478% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  20.58 +/- 2.14   0.104% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB2   ASP-  76  21.59 +/- 4.70   0.300% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.75 +/- 3.75   0.044% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  18.03 +/- 2.84   0.174% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  14.12 +/- 4.75   1.891% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.75 +/- 1.31   2.668% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  24.37 +/- 5.72   0.189% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.86 +/- 1.95   0.305% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.50 +/- 2.50   0.165% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  18.77 +/- 3.56   0.193% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.70 +/- 3.00   0.686% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  24.45 +/- 5.64   0.258% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  19.03 +/- 4.95   0.496% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.27 +/- 2.82   0.051% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 1.93, residual support = 25.0:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  69.769% * 97.6870% (0.80  10.0 10.00   1.93  25.13) =  99.361%  kept
          QG2   THR   39 - HA    ALA   34   4.31 +/- 1.37  25.376% *  1.7142% (0.25   1.0  1.00   1.13   4.63) =   0.634%  kept
          HG3   LYS+  38 - HA    ALA   34   7.66 +/- 1.03   2.718% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   34 - HA    ALA  124  20.40 +/- 6.35   0.397% *  0.2243% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  14.03 +/- 1.29   0.268% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.09 +/- 2.55   0.110% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  14.48 +/- 2.70   0.353% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.85 +/- 1.40   0.128% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  24.94 +/- 5.49   0.101% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.59 +/- 1.11   0.059% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  26.22 +/- 9.58   0.112% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  20.96 +/- 4.60   0.256% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  20.38 +/- 6.93   0.200% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  22.97 +/- 4.40   0.153% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.1:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  90.566% * 98.8230% (0.80  10.0 10.00   1.93  25.13) =  99.990%  kept
        T HA    ALA  124 - QB    ALA   34  20.40 +/- 6.35   0.487% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASN   28 - QB    ALA   34   7.06 +/- 0.43   2.598% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.003%
          HA1   GLY  101 - QB    ALA   34  10.60 +/- 4.10   1.783% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   34   6.66 +/- 0.09   2.976% *  0.0170% (0.14   1.0  1.00   0.02   0.34) =   0.001%
          HA    THR   26 - QB    ALA   34   9.56 +/- 0.55   1.044% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  18.33 +/- 1.80   0.158% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.44 +/- 2.48   0.125% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.92 +/- 1.93   0.106% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  19.20 +/- 3.16   0.159% *  0.0245% (0.20   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 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 = 54.2:
    * O T HB2   ASN   35 - HA    ASN   35   2.62 +/- 0.10  64.341% * 97.6032% (1.00  10.0 10.00   4.02  54.27) =  99.886%  kept
          QE    LYS+  33 - HA    ASN   35   7.11 +/- 1.32   4.515% *  0.8703% (0.34   1.0  1.00   0.52   5.28) =   0.062%
        T HB2   ASN   35 - HA    GLU-  15  14.12 +/- 3.64  13.233% *  0.1810% (0.19   1.0 10.00   0.02   0.02) =   0.038%
        T HB2   ASN   35 - HA    LEU   40  10.40 +/- 0.95   1.114% *  0.3659% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   ASN   28 - HA    ASN   35  13.69 +/- 0.60   0.458% *  0.4376% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          QE    LYS+  33 - HA    GLU-  15   8.16 +/- 3.55  10.242% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  16.17 +/- 1.74   0.333% *  0.1641% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    GLU-  15  16.18 +/- 2.64   0.474% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    LEU   40  10.05 +/- 1.95   1.616% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  23.34 +/- 6.03   0.160% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  14.99 +/- 4.50   0.950% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.21 +/- 1.73   0.152% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  20.00 +/- 4.61   0.218% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.22 +/- 1.15   0.281% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.88 +/- 3.15   0.456% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.40 +/- 2.96   0.159% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  14.02 +/- 3.18   0.594% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  19.00 +/- 3.61   0.211% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  25.30 +/- 6.06   0.125% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  18.99 +/- 2.96   0.225% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.99 +/- 4.17   0.143% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 86.3:
    * O T QB    GLU-  36 - HA    GLU-  36   2.45 +/- 0.17  96.498% * 98.9106% (1.00  10.0 10.00   5.56  86.34) =  99.991%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.00 +/- 1.05   0.926% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU- 100 - HA    GLU-  36  13.12 +/- 4.85   1.915% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.33 +/- 0.92   0.528% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  26.55 +/- 3.16   0.089% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  32.69 +/- 2.27   0.043% *  0.0679% (0.69   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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.92 +/- 0.80  98.946% * 99.8378% (1.00  10.0 10.00   3.62  86.34) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  20.83 +/- 3.01   0.469% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.54 +/- 2.53   0.286% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  27.18 +/- 6.23   0.299% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.00 +/- 0.66  94.855% * 99.2256% (1.00  10.0 10.00   3.62  86.34) =  99.983%  kept
        T QB    MET   11 - HA    GLU-  36  15.84 +/- 5.60   4.189% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.017%
          HB2   GLU-  79 - HA    GLU-  36  26.50 +/- 3.12   0.188% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.51 +/- 1.05   0.389% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.61 +/- 2.16   0.175% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.17 +/- 2.35   0.099% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  32.54 +/- 4.41   0.104% *  0.0642% (0.65   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 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.92 +/- 0.80  98.393% * 99.7630% (1.00  10.0 10.00   3.62  86.34) =  99.999%  kept
          HA    ALA  124 - HG2   GLU-  36  29.85 +/- 9.09   0.890% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG2   GLU-  36  29.94 +/- 4.45   0.202% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.91 +/- 2.70   0.366% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.50 +/- 3.51   0.149% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.3:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.37 +/- 0.16  95.580% * 98.9106% (1.00  10.0 10.00   4.28  86.34) =  99.989%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.86 +/- 1.58   1.132% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.010%
          HG3   GLU- 100 - HG2   GLU-  36  14.37 +/- 4.63   2.570% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  13.26 +/- 1.46   0.592% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  26.23 +/- 3.93   0.086% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  32.90 +/- 2.88   0.040% *  0.0679% (0.69   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 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  97.979% * 99.2256% (1.00  10.0 10.00   3.00  86.34) =  99.993%  kept
        T QB    MET   11 - HG2   GLU-  36  15.07 +/- 5.70   1.840% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HB2   GLU-  79 - HG2   GLU-  36  26.21 +/- 3.93   0.036% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  19.44 +/- 1.56   0.077% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  28.18 +/- 3.01   0.027% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.32 +/- 2.72   0.017% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  32.74 +/- 4.27   0.023% *  0.0642% (0.65   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 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.00 +/- 0.66  92.122% * 99.6097% (1.00  10.0 10.00   3.62  86.34) =  99.994%  kept
        T HA    GLU-  36 - QB    MET   11  15.84 +/- 5.60   4.069% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.006%
          HA    ALA  124 - HG3   GLU-  36  29.91 +/- 8.81   0.338% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  30.13 +/- 4.00   0.143% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.74 +/- 6.94   1.960% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.84 +/- 2.59   0.345% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.50 +/- 3.62   0.123% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  30.33 +/- 6.12   0.157% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  30.82 +/- 7.12   0.201% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.91 +/- 3.40   0.542% *  0.0028% (0.03   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 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.3:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.38 +/- 0.17  88.247% * 99.4418% (1.00  10.0  1.00   4.28  86.34) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.07 +/- 1.70   1.014% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - QB    MET   11  13.17 +/- 4.77   4.312% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HG3   GLU-  36  14.69 +/- 4.98   2.858% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  13.45 +/- 1.62   0.534% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  26.24 +/- 6.05   0.205% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  26.41 +/- 3.48   0.080% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  16.03 +/- 4.75   0.681% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  17.33 +/- 5.31   0.939% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  33.54 +/- 4.74   0.041% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  33.09 +/- 2.67   0.036% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.24 +/- 7.22   1.054% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  97.870% * 99.6937% (1.00  10.0 10.00   3.00  86.34) =  99.998%  kept
        T HG2   GLU-  36 - QB    MET   11  15.07 +/- 5.70   1.838% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG3   GLU-  36  21.61 +/- 3.32   0.064% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  24.90 +/- 2.78   0.042% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  27.54 +/- 6.16   0.038% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.19 +/- 5.32   0.052% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.17 +/- 3.93   0.061% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.29 +/- 7.21   0.034% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.92 +/- 0.14  79.854% * 98.0025% (1.00  10.0 10.00   2.58  29.74) =  99.978%  kept
        T HB2   SER   37 - HA    SER   13  13.60 +/- 3.43   1.612% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.011%
          HA1   GLY   16 - HA    SER   37  11.55 +/- 3.90   2.553% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   SER   37 - HA    THR   46  23.28 +/- 1.61   0.172% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   37   7.24 +/- 0.72   6.118% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13  10.24 +/- 1.27   2.300% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   37  11.76 +/- 2.46   1.880% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  13.77 +/- 2.63   1.238% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    THR   46  17.21 +/- 2.46   0.653% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  14.24 +/- 3.31   2.507% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  21.43 +/- 4.14   0.262% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  17.01 +/- 2.69   0.494% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  27.19 +/- 3.25   0.118% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.57 +/- 1.70   0.143% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  30.04 +/- 4.25   0.095% *  0.0255% (0.26   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 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.663, support = 2.35, residual support = 21.4:
    * O T HB3   SER   37 - HA    SER   37   2.70 +/- 0.24  38.493% * 66.5979% (0.84  10.0 10.00   2.58  29.74) =  64.624%  kept
      O T QB    SER   13 - HA    SER   13   2.45 +/- 0.10  50.315% * 27.5617% (0.35  10.0 10.00   1.93   6.18) =  34.958%  kept
          HB    THR   39 - HA    SER   37   5.81 +/- 0.98   4.748% *  3.2765% (0.69   1.0  1.00   1.20   4.17) =   0.392%  kept
        T QB    SER   13 - HA    SER   37  12.54 +/- 3.08   0.906% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   SER   37 - HA    SER   13  13.13 +/- 3.29   0.877% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.008%
          HB3   SER   82 - HA    THR   46  15.59 +/- 3.38   2.480% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - HA    THR   46  10.26 +/- 1.60   0.904% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   SER   37 - HA    THR   46  24.05 +/- 1.61   0.056% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  24.06 +/- 3.47   0.067% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  13.34 +/- 2.31   0.430% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  14.79 +/- 3.42   0.399% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.21 +/- 1.77   0.085% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.94 +/- 4.04   0.054% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  28.46 +/- 2.79   0.035% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  29.58 +/- 3.81   0.035% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.91 +/- 4.93   0.042% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.66 +/- 4.41   0.031% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.64 +/- 6.93   0.043% *  0.0145% (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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 29.7:
    * O T HA    SER   37 - HB2   SER   37   2.92 +/- 0.14  81.884% * 98.1694% (1.00  10.0 10.00   2.58  29.74) =  99.975%  kept
        T HA    SER   13 - HB2   SER   37  13.60 +/- 3.43   1.649% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          HA    GLU-  15 - HB2   SER   37   9.69 +/- 3.54   7.031% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU   40 - HB2   SER   37   7.45 +/- 0.72   5.905% *  0.0368% (0.38   1.0  1.00   0.02   0.49) =   0.003%
          HA    GLN   17 - HB2   SER   37  11.80 +/- 2.81   2.004% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   46 - HB2   SER   37  23.28 +/- 1.61   0.176% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.78 +/- 0.64   1.021% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  21.25 +/- 3.14   0.330% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 1.99, residual support = 29.4:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  80.514% * 93.4941% (0.84  10.0 10.00   2.00  29.74) =  98.628%  kept
          HB    THR   39 - HB2   SER   37   3.43 +/- 1.04  18.840% *  5.5385% (0.69   1.0  1.00   1.44   4.17) =   1.367%  kept
        T QB    SER   13 - HB2   SER   37  12.07 +/- 3.09   0.548% *  0.7241% (0.65   1.0 10.00   0.02   0.02) =   0.005%
          HB    THR  118 - HB2   SER   37  23.72 +/- 3.84   0.042% *  0.1117% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  26.07 +/- 2.69   0.027% *  0.0935% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  26.78 +/- 4.46   0.029% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.664, support = 2.34, residual support = 21.2:
    * O T HA    SER   37 - HB3   SER   37   2.70 +/- 0.24  38.248% * 68.0513% (0.84  10.0 10.00   2.58  29.74) =  63.808%  kept
      O T HA    SER   13 - QB    SER   13   2.45 +/- 0.10  50.032% * 29.4827% (0.36  10.0 10.00   1.93   6.18) =  36.162%  kept
        T HA    SER   37 - QB    SER   13  12.54 +/- 3.08   0.897% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.011%
        T HA    SER   13 - HB3   SER   37  13.13 +/- 3.29   0.869% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.008%
          HA    GLU-  15 - QB    SER   13   6.61 +/- 0.94   3.209% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   SER   37   9.72 +/- 3.34   2.022% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QB    SER   13   9.69 +/- 1.67   1.204% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.55 +/- 0.89   1.603% *  0.0255% (0.31   1.0  1.00   0.02   0.49) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.05 +/- 1.61   0.056% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  12.30 +/- 2.31   0.517% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.06 +/- 3.47   0.067% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.72 +/- 0.89   0.307% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.17 +/- 3.71   0.534% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.66 +/- 3.51   0.195% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.20 +/- 4.11   0.140% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.07 +/- 3.09   0.098% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  90.196% * 98.1382% (0.84  10.0 10.00   2.00  29.74) =  99.987%  kept
        T HB2   SER   37 - QB    SER   13  12.07 +/- 3.09   0.621% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.005%
        T HA    VAL   70 - HB3   SER   37  10.47 +/- 2.46   0.723% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HA1   GLY   16 - HB3   SER   37  10.19 +/- 4.08   1.264% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB3   SER   37   6.38 +/- 1.40   4.294% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - QB    SER   13  15.07 +/- 2.26   0.180% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.35 +/- 1.04   0.674% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  12.58 +/- 3.74   1.984% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.90 +/- 3.24   0.034% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.81 +/- 3.58   0.031% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.82, residual support = 220.1:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.78 +/- 0.18  70.950% * 99.6880% (1.00  10.0 10.00   6.82 220.08) =  99.989%  kept
          QG    GLN   17 - HA    LYS+  38  13.24 +/- 3.49  13.944% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LYS+  38 - HA    GLU- 100  10.50 +/- 5.73   5.721% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HG3   GLU-  29 - HA    LYS+  38  15.75 +/- 1.16   0.411% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.26 +/- 2.21   1.467% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.66 +/- 1.31   0.663% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.94 +/- 1.27   0.200% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.52 +/- 5.74   2.683% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.97 +/- 1.80   0.068% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.61 +/- 4.51   0.782% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  17.00 +/- 5.49   1.757% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.33 +/- 4.15   0.625% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.22 +/- 3.31   0.631% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.02 +/- 2.19   0.098% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.0:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.59 +/- 0.22  75.861% * 98.2125% (1.00  10.0 10.00   5.89 220.08) =  99.982%  kept
        T HB3   LYS+  38 - HA    GLU- 100   9.60 +/- 6.00  11.464% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          QB    LYS+  33 - HA    LYS+  38   8.02 +/- 0.95   3.739% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  38  16.14 +/- 3.22   0.674% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HA    LYS+  38  23.06 +/- 4.10   0.197% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HA    LYS+  38  11.33 +/- 1.55   1.184% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  38  17.60 +/- 2.36   0.313% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  28.94 +/- 3.70   0.067% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  16.53 +/- 3.91   0.498% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.16 +/- 4.04   0.112% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  17.73 +/- 2.76   0.297% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  24.51 +/- 4.40   0.169% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.74 +/- 1.75   0.072% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.59 +/- 2.86   0.095% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  14.08 +/- 3.50   0.873% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  12.41 +/- 3.04   1.277% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  28.41 +/- 1.94   0.063% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.72 +/- 0.81   0.580% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.49 +/- 0.48   1.223% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.91 +/- 0.70   0.530% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  26.26 +/- 3.81   0.085% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.10 +/- 1.88   0.090% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.74 +/- 2.79   0.119% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  19.45 +/- 3.43   0.255% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  25.38 +/- 2.33   0.094% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.00 +/- 3.91   0.071% *  0.0017% (0.02   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 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.978, support = 6.88, residual support = 215.8:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.81 +/- 0.71  52.296% * 92.5051% (1.00  10.0 10.00   6.91 220.08) =  97.643%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.41 +/- 0.56  19.879% *  5.4790% (0.06   1.0 10.00   5.85  39.00) =   2.198%  kept
        T HG2   LYS+  38 - HA    GLU- 100   9.83 +/- 6.15   5.862% *  0.6635% (0.06   1.0 10.00   0.24   0.02) =   0.078%
        T HG2   LYS+  99 - HA    LYS+  38   9.65 +/- 4.89   4.099% *  0.9067% (0.98   1.0 10.00   0.02   0.02) =   0.075%
          HB2   LEU   31 - HA    LYS+  38  10.17 +/- 1.17   2.030% *  0.0672% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LYS+  38  12.18 +/- 4.07   1.640% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.07 +/- 2.67   0.341% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  22.58 +/- 3.33   0.161% *  0.0773% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  11.91 +/- 4.64   2.341% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.90 +/- 1.65   0.214% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  21.95 +/- 7.25   0.412% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.26 +/- 1.05   0.264% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  24.01 +/- 4.13   0.141% *  0.0524% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   6.99 +/- 1.80   8.570% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.11 +/- 3.44   0.065% *  0.0741% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  19.10 +/- 3.63   0.273% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  22.01 +/- 3.90   0.224% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.26 +/- 1.61   0.229% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  17.88 +/- 1.32   0.298% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  22.67 +/- 7.51   0.397% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  20.39 +/- 2.18   0.190% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.38 +/- 3.50   0.076% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.15 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.984, support = 6.65, residual support = 202.2:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.39 +/- 0.62  29.952% * 78.7139% (1.00  10.0 10.00   6.91 220.08) =  91.027%  kept
          QG2   THR   39 - HA    LYS+  38   5.03 +/- 0.61  10.732% * 16.6870% (0.90   1.0  1.00   4.73  23.85) =   6.915%  kept
          QB    ALA   34 - HA    LYS+  38   4.44 +/- 0.77  17.276% *  2.1701% (0.80   1.0  1.00   0.69   0.02) =   1.447%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.30 +/- 0.59   8.012% *  1.7851% (0.02   1.0 10.00   4.96  39.00) =   0.552%  kept
        T HG3   LYS+  99 - HA    LYS+  38  10.05 +/- 4.69   3.061% *  0.2954% (0.38   1.0 10.00   0.02   0.02) =   0.035%
        T HG3   LYS+  38 - HA    GLU- 100   9.97 +/- 6.55   8.625% *  0.0476% (0.06   1.0 10.00   0.02   0.02) =   0.016%
          HG    LEU   71 - HA    LYS+  38   9.36 +/- 1.48   2.284% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  38  13.23 +/- 2.56   0.925% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    GLU- 100   8.12 +/- 3.81   9.330% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100   9.27 +/- 4.17   6.392% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  21.35 +/- 3.44   0.293% *  0.0745% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    LYS+  38  17.65 +/- 1.32   0.247% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.92 +/- 1.00   0.091% *  0.0706% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  18.55 +/- 1.43   0.215% *  0.0268% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.18 +/- 4.06   0.774% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.05 +/- 3.99   0.464% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  13.41 +/- 4.16   0.806% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  22.18 +/- 3.21   0.180% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.64 +/- 1.34   0.129% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.26 +/- 2.06   0.212% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 220.0:
    *   T QD    LYS+  38 - HA    LYS+  38   3.61 +/- 0.55  63.221% * 97.0123% (1.00 10.00   6.00 220.08) =  99.955%  kept
        T QD    LYS+  38 - HA    GLU- 100   8.92 +/- 5.71  21.966% *  0.0586% (0.06 10.00   0.02   0.02) =   0.021%
        T QD    LYS+  65 - HA    LYS+  38  18.39 +/- 1.56   0.623% *  0.8955% (0.92 10.00   0.02   0.02) =   0.009%
        T HB    VAL   83 - HA    LYS+  38  23.39 +/- 4.48   0.338% *  0.9362% (0.97 10.00   0.02   0.02) =   0.005%
        T HD2   LYS+  74 - HA    LYS+  38  18.61 +/- 1.70   0.618% *  0.3309% (0.34 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HA    LYS+  38  14.83 +/- 4.81   1.820% *  0.0777% (0.80  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LYS+  38  22.00 +/- 7.12   0.694% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  29.98 +/- 3.50   0.142% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.37 +/- 0.75   6.405% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  20.85 +/- 3.99   0.476% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  24.90 +/- 6.75   0.461% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  19.99 +/- 1.88   0.435% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.48 +/- 1.72   0.192% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.64 +/- 2.05   0.519% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  21.03 +/- 8.08   0.930% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.98 +/- 1.38   0.180% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.29 +/- 3.29   0.158% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  25.16 +/- 7.12   0.397% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.43 +/- 1.31   0.210% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.47 +/- 1.35   0.216% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.12 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.82, residual support = 220.0:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.78 +/- 0.18  91.895% * 99.6785% (1.00  10.0 10.00   6.82 220.08) =  99.982%  kept
        T HA    GLU- 100 - HB2   LYS+  38  10.50 +/- 5.73   7.522% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.018%
          HA    VAL   24 - HB2   LYS+  38  19.87 +/- 1.71   0.275% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  26.38 +/- 4.94   0.146% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  25.94 +/- 4.07   0.162% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 220.1:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  97.743% * 98.9214% (1.00  10.0 10.00   5.60 220.08) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.07 +/- 0.89   0.940% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.32 +/- 1.67   0.314% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.83 +/- 3.74   0.535% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  30.66 +/- 1.90   0.019% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.49 +/- 2.35   0.080% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  24.35 +/- 4.49   0.066% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  26.70 +/- 4.28   0.038% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  18.65 +/- 3.87   0.110% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  19.61 +/- 3.02   0.082% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.91 +/- 1.73   0.021% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.51 +/- 2.73   0.028% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  30.46 +/- 4.27   0.024% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 220.0:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.12  93.561% * 98.5858% (1.00  10.0 10.00   6.61 220.08) =  99.971%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  11.20 +/- 5.15   2.590% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.027%
          HB2   LEU   31 - HB2   LYS+  38  12.34 +/- 1.41   1.281% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+  38  19.56 +/- 3.15   0.375% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  14.43 +/- 3.86   1.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  24.49 +/- 3.42   0.143% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.60 +/- 2.04   0.211% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  22.54 +/- 7.68   0.413% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.31 +/- 1.53   0.228% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  26.25 +/- 3.98   0.122% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.03 +/- 3.32   0.070% *  0.0789% (0.80   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.03, residual support = 214.9:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.63 +/- 0.37  73.607% * 81.9818% (1.00  10.0 10.00   6.10 220.08) =  97.408%  kept
          QG2   THR   39 - HB2   LYS+  38   5.84 +/- 0.61   8.701% * 15.2658% (0.90   1.0  1.00   4.15  23.85) =   2.144%  kept
          QB    ALA   34 - HB2   LYS+  38   6.31 +/- 1.01  12.496% *  2.1572% (0.80   1.0  1.00   0.66   0.02) =   0.435%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  11.49 +/- 4.97   2.290% *  0.3077% (0.38   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   71 - HB2   LYS+  38  10.44 +/- 1.44   1.620% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  14.52 +/- 2.59   0.629% *  0.0464% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.68 +/- 3.59   0.151% *  0.0776% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.20 +/- 1.42   0.222% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.76 +/- 1.03   0.092% *  0.0735% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  20.42 +/- 1.62   0.190% *  0.0280% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.0:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.59 +/- 0.22  86.459% * 99.5407% (1.00  10.0 10.00   5.89 220.08) =  99.966%  kept
        T HA    GLU- 100 - HB3   LYS+  38   9.60 +/- 6.00  13.057% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.034%
        T HD2   PRO   58 - HB3   LYS+  38  25.06 +/- 4.23   0.142% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HB3   LYS+  38  19.83 +/- 2.03   0.221% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  25.73 +/- 4.80   0.121% *  0.0197% (0.20   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 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 220.1:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  97.469% * 99.2933% (1.00  10.0 10.00   5.60 220.08) =  99.999%  kept
          QG    GLN   17 - HB3   LYS+  38  14.07 +/- 3.31   1.554% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  12.80 +/- 2.44   0.649% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.34 +/- 1.65   0.019% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.01 +/- 1.49   0.102% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.89 +/- 1.49   0.155% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.14 +/- 1.62   0.053% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 219.9:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.01 +/- 0.04  87.713% * 98.5858% (1.00  10.0 10.00   5.64 220.08) =  99.926%  kept
        T HG2   LYS+  99 - HB3   LYS+  38  10.02 +/- 5.43   6.371% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.071%
          HB2   LEU   31 - HB3   LYS+  38  12.40 +/- 1.57   1.685% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+  38  13.52 +/- 3.99   1.830% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.74 +/- 3.06   0.563% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  23.71 +/- 3.41   0.208% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  21.86 +/- 7.62   0.704% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  20.97 +/- 2.17   0.302% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.46 +/- 1.52   0.349% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  25.67 +/- 3.82   0.168% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.89 +/- 3.47   0.107% *  0.0789% (0.80   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 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.47, residual support = 215.7:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.62 +/- 0.16  70.493% * 82.9690% (1.00  10.0 10.00   5.52 220.08) =  97.823%  kept
          QG2   THR   39 - HB3   LYS+  38   5.81 +/- 0.51   7.409% * 14.3097% (0.90   1.0  1.00   3.85  23.85) =   1.773%  kept
          QB    ALA   34 - HB3   LYS+  38   6.27 +/- 1.15  16.219% *  1.4126% (0.80   1.0  1.00   0.43   0.02) =   0.383%  kept
        T HG3   LYS+  99 - HB3   LYS+  38  10.26 +/- 5.24   3.048% *  0.3114% (0.38   1.0 10.00   0.02   0.02) =   0.016%
        T QG2   ILE   56 - HB3   LYS+  38  21.91 +/- 3.76   0.208% *  0.7849% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HB3   LYS+  38  10.06 +/- 1.39   1.626% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  14.68 +/- 2.80   0.561% *  0.0470% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.39 +/- 1.53   0.181% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.96 +/- 1.08   0.082% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  19.95 +/- 1.72   0.172% *  0.0283% (0.34   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 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.1:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.35 +/- 0.32  98.003% * 98.0597% (1.00  10.0 10.00   4.63 220.08) =  99.996%  kept
        T QD    LYS+  65 - HB3   LYS+  38  19.08 +/- 1.93   0.229% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HB3   LYS+  38  19.97 +/- 2.10   0.201% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB3   LYS+  38  15.42 +/- 5.21   0.798% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  22.32 +/- 7.35   0.249% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.75 +/- 3.53   0.070% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  25.06 +/- 7.12   0.196% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.05 +/- 4.24   0.108% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.55 +/- 1.93   0.079% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.19 +/- 1.47   0.068% *  0.0218% (0.22   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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.976, support = 6.87, residual support = 215.3:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.81 +/- 0.71  62.290% * 91.6509% (1.00  10.0 10.00   6.91 220.08) =  97.412%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.41 +/- 0.56  24.007% *  5.5609% (0.06   1.0 10.00   5.85  39.00) =   2.278%  kept
        T HA    GLU- 100 - HG2   LYS+  38   9.83 +/- 6.15   6.971% *  2.4219% (0.22   1.0 10.00   0.24   0.02) =   0.288%  kept
        T HA    LYS+  38 - HG2   LYS+  99   9.65 +/- 4.89   4.926% *  0.2498% (0.27   1.0 10.00   0.02   0.02) =   0.021%
          HA    VAL   24 - HG2   LYS+  38  19.71 +/- 1.27   0.265% *  0.0593% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  19.11 +/- 4.13   0.643% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.08 +/- 4.19   0.172% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  25.85 +/- 5.03   0.133% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  21.88 +/- 4.43   0.265% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  23.44 +/- 4.04   0.331% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 220.1:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.66 +/- 0.12  87.607% * 99.4277% (1.00  10.0 10.00   6.61 220.08) =  99.990%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  11.20 +/- 5.15   2.425% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.008%
          QG    GLN   17 - HG2   LYS+  38  14.57 +/- 3.01   2.952% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   LYS+  38  13.73 +/- 2.61   1.460% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.26 +/- 0.90   0.337% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.18 +/- 1.15   0.507% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.43 +/- 3.66   0.617% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.65 +/- 5.16   1.413% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.14 +/- 4.62   0.708% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  13.62 +/- 4.05   1.184% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.66 +/- 0.91   0.169% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.05 +/- 3.30   0.460% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  30.68 +/- 1.93   0.061% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  25.95 +/- 1.99   0.102% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 220.0:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.01 +/- 0.04  77.136% * 98.9095% (1.00  10.0 10.00   5.64 220.08) =  99.974%  kept
        T HB3   LYS+  38 - HG2   LYS+  99  10.02 +/- 5.43   5.605% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.020%
          QB    LYS+  33 - HG2   LYS+  38   9.18 +/- 0.73   2.910% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  38  13.33 +/- 1.33   1.008% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  38  17.07 +/- 3.77   1.922% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  99  15.06 +/- 2.82   0.893% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.42 +/- 1.19   1.293% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  19.13 +/- 2.39   0.347% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  24.58 +/- 4.66   0.277% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  13.65 +/- 2.98   1.438% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  26.79 +/- 4.52   0.160% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  17.96 +/- 4.17   0.583% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.23 +/- 0.59   2.055% *  0.0067% (0.07   1.0  1.00   0.02   0.48) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  11.20 +/- 0.94   1.603% *  0.0083% (0.08   1.0  1.00   0.02   0.41) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  19.32 +/- 3.14   0.345% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  22.16 +/- 4.54   0.469% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.49 +/- 1.94   0.089% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  27.08 +/- 2.88   0.118% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  24.08 +/- 3.99   0.194% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  17.48 +/- 4.77   0.716% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.10 +/- 2.13   0.081% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.23 +/- 1.37   0.137% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  30.49 +/- 4.18   0.096% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.35 +/- 2.90   0.170% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  25.33 +/- 2.24   0.141% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.12 +/- 4.38   0.215% *  0.0075% (0.08   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 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.916, support = 6.54, residual support = 213.9:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  45.846% * 76.4286% (1.00  10.0 10.00   6.57 220.08) =  89.837%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  45.846% *  7.8174% (0.10  10.0 10.00   6.56 173.76) =   9.189%  kept
          QG2   THR   39 - HG2   LYS+  38   5.72 +/- 1.32   2.588% * 14.5226% (0.90   1.0  1.00   4.24  23.85) =   0.964%  kept
        T HG3   LYS+  99 - HG2   LYS+  38  11.23 +/- 5.30   0.463% *  0.2868% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  38 - HG2   LYS+  99  10.77 +/- 5.94   0.523% *  0.2083% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HG2   LYS+  38   6.29 +/- 0.75   1.182% *  0.0612% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HG2   LYS+  99   9.28 +/- 4.35   1.463% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HG2   LYS+  99   8.94 +/- 3.17   1.151% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  20.40 +/- 1.62   0.031% *  0.2607% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.53 +/- 1.67   0.276% *  0.0236% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  14.84 +/- 2.83   0.111% *  0.0433% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.11 +/- 2.28   0.040% *  0.0711% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.76 +/- 3.76   0.031% *  0.0723% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  13.06 +/- 4.57   0.205% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.12 +/- 1.30   0.037% *  0.0343% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.34 +/- 0.97   0.015% *  0.0685% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  17.18 +/- 3.15   0.066% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  20.43 +/- 3.28   0.036% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  19.17 +/- 3.05   0.062% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.08 +/- 1.33   0.027% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 220.0:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.43 +/- 0.16  88.863% * 96.4250% (1.00  10.0 10.00   5.75 220.08) =  99.967%  kept
        T QD    LYS+  38 - HG2   LYS+  99   9.50 +/- 5.17   5.485% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T QD    LYS+ 102 - HG2   LYS+  38  15.58 +/- 5.33   0.674% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HG2   LYS+  99   8.89 +/- 1.01   2.143% *  0.2104% (0.22   1.0 10.00   0.02   1.40) =   0.005%
        T QD    LYS+  65 - HG2   LYS+  38  19.82 +/- 2.10   0.209% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG2   LYS+  38  20.52 +/- 1.71   0.171% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  99  19.01 +/- 1.65   0.205% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  99  19.37 +/- 2.15   0.208% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  17.94 +/- 8.45   0.733% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  23.56 +/- 7.52   0.185% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.67 +/- 3.53   0.046% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  25.23 +/- 4.37   0.102% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  26.31 +/- 7.14   0.135% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  26.24 +/- 3.34   0.083% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  21.62 +/- 3.91   0.174% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  21.92 +/- 7.62   0.278% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  28.26 +/- 1.97   0.061% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.04 +/- 1.09   0.095% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.73 +/- 1.60   0.058% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.50 +/- 1.14   0.091% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 6.89, residual support = 218.7:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.39 +/- 0.62  58.650% * 97.3136% (1.00  10.0 10.00   6.91 220.08) =  99.258%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.30 +/- 0.59  17.151% *  2.2608% (0.02   1.0 10.00   4.96  39.00) =   0.674%  kept
        T HA    GLU- 100 - HG3   LYS+  38   9.97 +/- 6.55  14.662% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.055%
        T HA    LYS+  38 - HG3   LYS+  99  10.05 +/- 4.69   6.536% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.012%
          HA    VAL   24 - HG3   LYS+  38  20.47 +/- 1.56   0.376% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.75 +/- 4.23   1.130% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  26.25 +/- 4.25   0.276% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  26.34 +/- 5.06   0.186% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  23.18 +/- 4.13   0.659% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  22.39 +/- 4.03   0.376% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.12 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 220.1:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.63 +/- 0.37  90.336% * 99.6340% (1.00  10.0 10.00   6.10 220.08) =  99.996%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  11.49 +/- 4.97   2.794% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HG3   LYS+  38  15.09 +/- 3.12   1.355% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.21 +/- 0.94   0.329% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.95 +/- 2.37   0.887% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.14 +/- 1.16   0.491% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.54 +/- 1.10   0.175% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.02 +/- 1.89   0.069% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  16.93 +/- 5.04   1.229% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.08 +/- 3.88   0.415% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  13.83 +/- 3.82   1.081% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.65 +/- 3.59   0.392% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  22.84 +/- 4.58   0.335% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  26.19 +/- 2.08   0.112% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 220.1:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.62 +/- 0.16  82.457% * 98.2474% (1.00  10.0 10.00   5.52 220.08) =  99.991%  kept
        T HB3   LYS+  38 - HG3   LYS+  99  10.26 +/- 5.24   3.484% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T HB    ILE   56 - HG3   LYS+  38  26.92 +/- 4.43   0.117% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38  10.08 +/- 0.76   1.735% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  14.16 +/- 1.56   0.685% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  38  17.14 +/- 3.84   2.789% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - HG3   LYS+  99  23.77 +/- 3.96   0.156% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  19.21 +/- 2.86   0.235% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  24.72 +/- 4.77   0.206% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  18.09 +/- 4.58   0.369% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  19.28 +/- 3.59   0.245% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.62 +/- 3.08   0.645% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.23 +/- 1.28   0.930% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.80 +/- 2.03   0.059% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.64 +/- 1.16   1.518% *  0.0032% (0.03   1.0  1.00   0.02   0.41) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  14.09 +/- 3.25   1.085% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.53 +/- 2.74   0.080% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.19 +/- 0.63   1.547% *  0.0026% (0.03   1.0  1.00   0.02   0.48) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  21.89 +/- 4.64   0.411% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.43 +/- 2.07   0.056% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  30.69 +/- 4.23   0.070% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  17.59 +/- 4.89   0.579% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.28 +/- 1.62   0.097% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.82 +/- 2.74   0.120% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.91 +/- 4.54   0.228% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  25.58 +/- 2.32   0.100% *  0.0050% (0.05   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.57, residual support = 215.8:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.510% * 89.3736% (1.00  10.0 10.00   6.57 220.08) =  90.710%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.510% *  9.1415% (0.10  10.0 10.00   6.56 173.76) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  10.77 +/- 5.94   0.553% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  38 - HG3   LYS+  99  11.23 +/- 5.30   0.490% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  12.85 +/- 1.46   0.141% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  14.20 +/- 4.53   0.221% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.92 +/- 2.93   0.044% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.93 +/- 3.78   0.023% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.01 +/- 3.71   0.255% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  24.17 +/- 3.47   0.021% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.69 +/- 2.02   0.029% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  22.82 +/- 7.75   0.055% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.76 +/- 1.21   0.751% *  0.0014% (0.02   1.0  1.00   0.02  17.74) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.51 +/- 1.59   0.032% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.40 +/- 3.87   0.017% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.88 +/- 3.60   0.011% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.49 +/- 3.43   0.043% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  19.19 +/- 7.96   0.113% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  18.50 +/- 2.41   0.049% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.15 +/- 1.96   0.049% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.90 +/- 1.12   0.057% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.20 +/- 3.44   0.026% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 220.1:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.30 +/- 0.14  89.462% * 97.6899% (1.00  10.0 10.00   5.57 220.08) =  99.988%  kept
        T QD    LYS+  38 - HG3   LYS+  99   9.69 +/- 4.98   5.347% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HG3   LYS+  99   8.87 +/- 1.17   2.078% *  0.0816% (0.08   1.0 10.00   0.02   1.40) =   0.002%
        T QD    LYS+  65 - HG3   LYS+  38  20.23 +/- 2.09   0.157% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HG3   LYS+  38  15.54 +/- 5.77   0.685% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+  38  21.09 +/- 2.17   0.130% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.22 +/- 1.38   0.166% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  23.49 +/- 7.68   0.173% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.76 +/- 3.53   0.042% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  25.74 +/- 4.38   0.084% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  17.37 +/- 8.42   0.678% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  26.23 +/- 7.28   0.112% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.80 +/- 2.20   0.158% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.52 +/- 2.09   0.051% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.82 +/- 3.57   0.084% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  21.25 +/- 7.68   0.262% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  22.17 +/- 3.52   0.122% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.04 +/- 1.70   0.047% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.93 +/- 1.27   0.084% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.51 +/- 1.43   0.078% *  0.0023% (0.02   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 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 219.9:
    *   T HA    LYS+  38 - QD    LYS+  38   3.61 +/- 0.55  60.398% * 98.6212% (1.00 10.00   6.00 220.08) =  99.909%  kept
        T HA    GLU- 100 - QD    LYS+  38   8.92 +/- 5.71  20.956% *  0.2196% (0.22 10.00   0.02   0.02) =   0.077%
        T HA    LYS+  38 - HD2   LYS+  74  18.61 +/- 1.70   0.591% *  0.2163% (0.22 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - QD    LYS+  65  18.39 +/- 1.56   0.595% *  0.1802% (0.18 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  65  11.70 +/- 2.38   3.199% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  15.57 +/- 2.92   2.048% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  14.95 +/- 4.17   2.311% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  23.31 +/- 4.58   0.436% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  23.74 +/- 4.52   0.308% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  65  17.72 +/- 4.24   1.575% *  0.0357% (0.04 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  18.82 +/- 1.79   0.614% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  12.00 +/- 1.11   2.024% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  19.64 +/- 2.05   0.496% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  15.01 +/- 3.28   1.676% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  19.99 +/- 1.88   0.417% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.98 +/- 3.50   0.136% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.29 +/- 3.29   0.151% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  25.66 +/- 4.41   0.269% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  15.56 +/- 1.97   1.094% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  21.51 +/- 4.89   0.709% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 220.1:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.85 +/- 0.46  64.269% * 99.6020% (1.00  10.0   5.23 220.08) =  99.994%  kept
          QG    GLN   17 - QD    LYS+  38  13.80 +/- 2.83   3.027% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.58 +/- 2.70   3.357% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  65   9.75 +/- 4.95   9.939% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74  10.36 +/- 4.14   7.383% *  0.0054% (0.05   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  17.03 +/- 1.16   0.372% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.23 +/- 1.21   0.528% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  19.04 +/- 5.63   1.574% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  10.39 +/- 2.00   2.433% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.79 +/- 0.93   2.004% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.84 +/- 1.33   0.204% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  17.40 +/- 1.78   0.374% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  19.19 +/- 3.22   0.442% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  20.44 +/- 1.94   0.232% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  19.53 +/- 1.98   0.258% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  27.86 +/- 1.97   0.088% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.99 +/- 3.00   0.393% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  16.27 +/- 1.82   0.466% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  18.48 +/- 3.68   0.553% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  18.63 +/- 3.03   0.479% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  17.07 +/- 1.79   0.369% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  16.16 +/- 3.45   0.564% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  31.72 +/- 4.77   0.089% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.89 +/- 3.43   0.062% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  30.29 +/- 5.42   0.130% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.16 +/- 4.08   0.192% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  25.02 +/- 4.22   0.139% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  31.72 +/- 4.59   0.081% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 220.1:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.32  69.905% * 98.4611% (1.00  10.0 10.00   4.63 220.08) =  99.991%  kept
          HG3   PRO   68 - QD    LYS+  38  15.28 +/- 3.75   3.913% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.90 +/- 2.25   1.085% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  38  13.32 +/- 1.66   0.516% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  38   9.85 +/- 0.77   1.145% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - QD    LYS+  65  10.49 +/- 3.79   3.275% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   LYS+  74  14.99 +/- 1.57   0.393% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  19.97 +/- 2.10   0.143% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  19.08 +/- 1.93   0.163% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  15.44 +/- 3.74   1.203% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  17.15 +/- 2.16   0.275% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.02 +/- 1.35   0.750% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  16.21 +/- 5.39   1.020% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.00 +/- 4.00   2.275% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.88 +/- 2.28   0.810% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  21.90 +/- 4.90   0.208% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  14.99 +/- 4.38   0.865% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  16.11 +/- 3.85   0.440% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  23.91 +/- 4.83   0.105% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  17.12 +/- 2.74   0.246% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  14.47 +/- 1.89   0.434% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  13.45 +/- 3.17   0.904% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  15.29 +/- 3.46   0.544% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  16.29 +/- 4.53   0.560% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  13.76 +/- 3.72   1.113% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.70 +/- 2.86   0.292% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.77 +/- 1.99   0.056% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.54 +/- 1.91   0.357% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  18.88 +/- 5.56   0.490% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  14.83 +/- 1.58   0.308% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65  10.57 +/- 1.45   1.004% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.84 +/- 2.82   0.069% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.75 +/- 3.53   0.050% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.63 +/- 2.79   0.586% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  15.79 +/- 2.29   0.388% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  17.46 +/- 4.03   0.407% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.21 +/- 3.72   0.655% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.32 +/- 2.22   0.049% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.83 +/- 2.93   0.212% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  27.40 +/- 4.51   0.061% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.90 +/- 2.49   0.191% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  17.73 +/- 1.85   0.243% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  20.32 +/- 3.93   0.267% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.58 +/- 2.41   0.197% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  16.81 +/- 2.91   0.460% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.84 +/- 2.42   0.178% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  19.81 +/- 3.45   0.179% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  17.06 +/- 3.63   0.354% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.93 +/- 2.98   0.363% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.91 +/- 3.85   0.092% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.77 +/- 5.42   0.134% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.11 +/- 3.60   0.070% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.965, support = 5.77, residual support = 223.4:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.43 +/- 0.16  40.830% * 91.2181% (1.00  10.0 10.00   5.75 220.08) =  96.256%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.85 +/- 0.17  25.852% *  5.4974% (0.06  10.0 10.00   6.21 315.09) =   3.673%  kept
        T HG2   LYS+  99 - QD    LYS+  38   9.50 +/- 5.17   2.650% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.061%
          QG2   THR   77 - QD    LYS+  65   9.01 +/- 4.08  10.422% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    LYS+  38  12.00 +/- 1.38   0.422% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HD2   LYS+  74  20.73 +/- 4.04   0.165% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  27.46 +/- 3.41   0.033% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65   9.36 +/- 3.26   3.818% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   7.80 +/- 2.05   2.947% *  0.0068% (0.07   1.0  1.00   0.02   5.20) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+  74  19.37 +/- 2.15   0.094% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.58 +/- 2.62   1.748% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  19.82 +/- 2.10   0.092% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.01 +/- 1.65   0.093% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  20.52 +/- 1.71   0.075% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  19.09 +/- 2.64   0.110% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.50 +/- 1.80   1.417% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.77 +/- 0.85   1.608% *  0.0075% (0.08   1.0  1.00   0.02   3.70) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.15 +/- 2.64   0.707% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.43 +/- 3.62   2.497% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.77 +/- 3.25   0.167% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.84 +/- 3.71   0.467% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  21.65 +/- 3.31   0.068% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  20.12 +/- 7.13   0.216% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.56 +/- 2.46   0.107% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  17.40 +/- 4.34   0.312% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  14.98 +/- 3.85   0.429% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.48 +/- 1.73   0.102% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.52 +/- 2.55   0.182% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.85 +/- 3.63   0.053% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.24 +/- 3.34   0.038% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.75 +/- 1.34   0.167% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.30 +/- 2.30   0.182% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.00 +/- 3.38   0.324% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.67 +/- 3.53   0.021% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.64 +/- 3.55   0.464% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  17.12 +/- 3.32   0.181% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  15.18 +/- 2.16   0.204% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  21.41 +/- 5.47   0.138% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.92 +/- 3.27   0.156% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.93 +/- 3.50   0.093% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.67 +/- 2.20   0.154% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.86 +/- 3.85   0.038% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.93 +/- 1.94   0.088% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.29 +/- 3.22   0.069% *  0.0011% (0.01   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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.959, support = 5.54, residual support = 216.1:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.14  42.525% * 78.1554% (1.00  10.0 10.00   5.57 220.08) =  94.472%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.76 +/- 0.20  25.445% *  5.8462% (0.07  10.0 10.00   5.54 186.53) =   4.228%  kept
          QG2   THR   39 - QD    LYS+  38   6.17 +/- 0.84   2.979% * 13.0973% (0.90   1.0  1.00   3.74  23.85) =   1.109%  kept
          QB    ALA   34 - QD    LYS+  38   6.68 +/- 1.08   3.946% *  1.3306% (0.80   1.0  1.00   0.43   0.02) =   0.149%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.69 +/- 4.98   2.524% *  0.2933% (0.38   1.0 10.00   0.02   0.02) =   0.021%
        T HG2   LYS+  74 - QD    LYS+  65   7.98 +/- 2.87  10.577% *  0.0487% (0.06   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   LYS+  74 - QD    LYS+  38  19.03 +/- 1.90   0.084% *  0.2666% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QD    LYS+  65  10.93 +/- 2.14   1.397% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.18 +/- 1.43   0.611% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  20.23 +/- 2.09   0.075% *  0.1428% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.09 +/- 2.17   0.061% *  0.1714% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.14 +/- 3.66   1.033% *  0.0097% (0.12   1.0  1.00   0.02   8.27) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.31 +/- 4.64   0.758% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.52 +/- 2.60   0.217% *  0.0442% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.80 +/- 3.09   0.513% *  0.0162% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.35 +/- 4.04   0.104% *  0.0739% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111  10.93 +/- 2.70   1.318% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  13.49 +/- 2.76   0.862% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.09 +/- 2.22   0.637% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.80 +/- 2.20   0.075% *  0.0643% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.42 +/- 2.01   0.353% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.62 +/- 1.72   0.293% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.12 +/- 2.92   0.527% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.28 +/- 1.16   0.309% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.22 +/- 1.38   0.077% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  10.69 +/- 2.94   0.756% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.03 +/- 1.44   0.290% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  18.31 +/- 1.44   0.092% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.95 +/- 1.10   0.044% *  0.0701% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  14.88 +/- 1.99   0.187% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.41 +/- 4.60   0.139% *  0.0201% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.48 +/- 2.01   0.400% *  0.0053% (0.07   1.0  1.00   0.02   0.22) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.35 +/- 1.94   0.368% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.76 +/- 3.53   0.020% *  0.0588% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.82 +/- 3.57   0.040% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  23.43 +/- 5.39   0.163% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.72 +/- 3.36   0.053% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.95 +/- 2.82   0.059% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.12 +/- 4.79   0.048% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.69 +/- 4.45   0.039% *  0.0018% (0.02   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 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 = 37.8:
    * O T HB    THR   39 - HA    THR   39   2.73 +/- 0.22  82.607% * 98.6574% (1.00  10.0 10.00   3.00  37.86) =  99.981%  kept
          HB3   SER   37 - HA    THR   39   5.67 +/- 0.49  10.143% *  0.0952% (0.97   1.0  1.00   0.02   4.17) =   0.012%
        T HB    THR   39 - HA    ILE  103  14.67 +/- 2.93   0.681% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   13 - HA    THR   39  14.16 +/- 3.01   1.007% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    THR   39  27.71 +/- 4.78   0.188% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  11.51 +/- 1.41   1.325% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.95 +/- 3.49   0.219% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  15.77 +/- 5.59   0.878% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.76 +/- 5.17   0.562% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  21.06 +/- 3.78   0.271% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  15.67 +/- 3.08   0.545% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  17.13 +/- 3.66   0.518% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  24.12 +/- 2.58   0.132% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  26.00 +/- 3.94   0.122% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  20.35 +/- 4.02   0.368% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.77 +/- 2.84   0.434% *  0.0081% (0.08   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.871, support = 3.04, residual support = 36.9:
    * O T QG2   THR   39 - HA    THR   39   2.64 +/- 0.44  58.549% * 72.4478% (0.87  10.0 10.00   3.00  37.86) =  95.070%  kept
          HG3   LYS+  38 - HA    THR   39   5.99 +/- 1.07   8.389% * 18.7281% (1.00   1.0  1.00   4.49  23.85) =   3.521%  kept
          QB    ALA   34 - HA    THR   39   5.34 +/- 0.53   9.132% *  6.7607% (0.84   1.0  1.00   1.94   4.63) =   1.384%  kept
        T QG2   THR   39 - HA    ILE  103  12.37 +/- 3.05   1.251% *  0.2394% (0.29   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   71 - HA    THR   39   6.00 +/- 1.16   8.370% *  0.0232% (0.28   1.0  1.00   0.02   0.17) =   0.004%
          HG3   LYS+  99 - HA    THR   39   9.98 +/- 4.97   3.525% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    THR   39  17.55 +/- 1.44   0.243% *  0.4065% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    THR   39  22.53 +/- 1.02   0.116% *  0.7245% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  16.10 +/- 1.44   0.328% *  0.2394% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    THR   39  11.73 +/- 3.23   1.525% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    ILE  103  10.92 +/- 3.12   2.521% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ILE  103  18.11 +/- 2.87   0.253% *  0.1343% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   7.60 +/- 0.57   3.238% *  0.0094% (0.11   1.0  1.00   0.02   0.48) =   0.001%
          HG3   LYS+  38 - HA    ILE  103  15.85 +/- 4.53   0.781% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.39 +/- 3.08   0.189% *  0.0806% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.17 +/- 1.76   0.317% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  17.94 +/- 3.41   0.233% *  0.0266% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.29 +/- 3.17   0.307% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  15.43 +/- 3.20   0.480% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.17 +/- 1.85   0.252% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.9:
    * O T HA    THR   39 - HB    THR   39   2.73 +/- 0.22  96.924% * 98.7925% (1.00  10.0 10.00   3.00  37.86) =  99.993%  kept
        T HA    ILE  103 - HB    THR   39  14.67 +/- 2.93   0.800% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.006%
          HA    MET   11 - HB    THR   39  18.97 +/- 4.94   0.652% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.67 +/- 1.31   0.589% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.06 +/- 2.94   0.327% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  22.41 +/- 1.55   0.196% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  28.04 +/- 4.25   0.154% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  22.06 +/- 2.19   0.236% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  26.32 +/- 2.93   0.124% *  0.0599% (0.61   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 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 = 0.866, support = 2.96, residual support = 33.8:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  65.276% * 44.7821% (0.87  10.0 10.00   3.00  37.86) =  86.568%  kept
        T QB    ALA   34 - HB    THR   39   4.84 +/- 0.99   8.951% * 43.1219% (0.84   1.0 10.00   2.41   4.63) =  11.430%  kept
          HG3   LYS+  38 - HB    THR   39   7.35 +/- 1.36   6.034% * 11.1136% (1.00   1.0  1.00   4.31  23.85) =   1.986%  kept
          HG    LEU   71 - HB    THR   39   5.09 +/- 2.10  15.780% *  0.0144% (0.28   1.0  1.00   0.02   0.17) =   0.007%
        T HG3   LYS+  99 - HB    THR   39  11.30 +/- 4.22   0.900% *  0.1761% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - HB    THR   39  10.19 +/- 3.94   2.447% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  16.32 +/- 2.01   0.182% *  0.2513% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  22.46 +/- 1.06   0.060% *  0.4478% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  19.55 +/- 2.87   0.123% *  0.0498% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  15.06 +/- 1.99   0.247% *  0.0159% (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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 37.8:
    * O T HA    THR   39 - QG2   THR   39   2.64 +/- 0.44  70.889% * 96.3159% (0.87  10.0 10.00   3.00  37.86) =  99.960%  kept
        T HA    ILE  103 - QG2   THR   39  12.37 +/- 3.05   1.585% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.016%
        T HB    THR   77 - QG2   THR   23  14.59 +/- 2.95   0.582% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  17.55 +/- 1.44   0.301% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QG2   THR   23  11.27 +/- 5.13   2.976% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    ALA   91   9.37 +/- 3.32   5.124% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  16.10 +/- 1.44   0.404% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QG2   THR   23  18.11 +/- 2.87   0.311% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   85 - QB    ALA   91   8.89 +/- 1.75   3.807% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   57 - QB    ALA   91  14.71 +/- 3.11   2.053% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  22.53 +/- 1.02   0.143% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   23  17.65 +/- 5.87   1.437% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   91  12.95 +/- 1.96   1.314% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA   91  13.23 +/- 3.92   1.270% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   39  15.50 +/- 4.02   1.208% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  13.17 +/- 1.19   0.810% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91  10.22 +/- 0.93   1.617% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   THR   23  20.46 +/- 5.08   0.591% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  18.44 +/- 5.00   1.107% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  18.84 +/- 1.63   0.269% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.53 +/- 2.69   0.326% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.05 +/- 2.04   0.740% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  18.52 +/- 2.18   0.308% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  23.47 +/- 3.36   0.153% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  17.99 +/- 4.29   0.433% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  22.11 +/- 2.32   0.183% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  31.70 +/- 3.84   0.061% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.865, support = 2.97, residual support = 37.3:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  62.484% * 90.9710% (0.87  10.0 10.00   3.00  37.86) =  98.334%  kept
          HB3   SER   37 - QG2   THR   39   3.75 +/- 0.96  21.763% *  3.2923% (0.84   1.0  1.00   0.75   4.17) =   1.240%  kept
          HA    ILE   89 - QB    ALA   91   4.99 +/- 0.63   6.035% *  4.0069% (0.40   1.0  1.00   1.93   7.63) =   0.418%  kept
        T HB    THR   39 - QG2   THR   23  16.32 +/- 2.01   0.177% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   13 - QG2   THR   39  10.62 +/- 2.44   0.850% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - QG2   THR   23  20.30 +/- 4.66   1.216% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  14.18 +/- 6.70   0.891% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QG2   THR   39   8.53 +/- 1.85   1.608% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   23  14.41 +/- 3.41   0.687% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  22.46 +/- 1.06   0.057% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91  11.66 +/- 4.37   1.571% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.40 +/- 1.26   0.923% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  13.47 +/- 3.31   0.395% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.49 +/- 1.12   0.277% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  18.06 +/- 3.30   0.161% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.24 +/- 2.02   0.174% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  17.67 +/- 3.09   0.162% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  20.13 +/- 2.04   0.085% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.22 +/- 3.38   0.087% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.15 +/- 4.63   0.165% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.07 +/- 3.50   0.082% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  25.31 +/- 2.77   0.044% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.92 +/- 1.07   0.041% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.87 +/- 2.17   0.066% *  0.0107% (0.10   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 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 = 0.993, support = 5.27, residual support = 103.2:
    * O T HB2   LEU   40 - HA    LEU   40   2.74 +/- 0.29  66.281% * 93.7074% (1.00  10.0 10.00   5.30 104.35) =  98.899%  kept
          HB3   GLU-  14 - HA    GLU-  15   5.06 +/- 0.84  14.674% *  4.3841% (0.39   1.0  1.00   2.38   1.56) =   1.024%  kept
        T HB2   LEU   40 - HA    GLU-  15  13.10 +/- 3.51   4.677% *  0.7578% (0.81   1.0 10.00   0.02   0.02) =   0.056%
        T HB2   LEU   40 - HA    ASN   35   9.84 +/- 0.87   1.642% *  0.3513% (0.37   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LEU   67 - HA    LEU   40  11.07 +/- 2.54   1.448% *  0.1446% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   67 - HA    GLU-  15  13.52 +/- 3.60   0.996% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HA    LEU   40  11.79 +/- 1.92   1.111% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.19 +/- 0.47   1.949% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LEU   40  12.51 +/- 3.63   1.363% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HA    ASN   35  16.40 +/- 3.21   0.611% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    LEU   40  16.35 +/- 3.21   0.542% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  15.67 +/- 3.55   1.277% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  19.57 +/- 4.03   0.336% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.02 +/- 1.30   0.589% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  16.11 +/- 2.29   0.890% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  17.42 +/- 2.96   0.357% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.34 +/- 4.72   0.324% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  24.86 +/- 4.01   0.131% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  20.62 +/- 6.07   0.628% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  26.95 +/- 4.14   0.109% *  0.0460% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.15 +/- 4.39   0.066% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.922, support = 5.52, residual support = 104.3:
    * O T HB3   LEU   40 - HA    LEU   40   2.41 +/- 0.26  62.897% * 70.6117% (1.00  10.0 10.00   5.52 104.35) =  87.469%  kept
      O T HG    LEU   40 - HA    LEU   40   3.45 +/- 0.33  23.938% * 26.5014% (0.38  10.0 10.00   5.49 104.35) =  12.494%  kept
        T HB3   LEU   40 - HA    GLU-  15  13.49 +/- 3.47   2.064% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.023%
        T HB3   LEU   40 - HA    ASN   35   9.80 +/- 1.02   1.058% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T HG    LEU  115 - HA    LEU   40  19.61 +/- 2.41   0.161% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HA    ASN   35  11.03 +/- 0.88   0.732% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    LEU   40  19.34 +/- 1.71   0.148% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LEU   40  11.19 +/- 2.31   1.028% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LEU   40  17.44 +/- 4.59   0.316% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.14 +/- 1.86   1.212% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  13.61 +/- 3.30   0.657% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.45 +/- 3.13   0.784% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  24.97 +/- 2.88   0.072% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  13.70 +/- 3.67   0.508% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.75 +/- 1.92   0.061% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  14.11 +/- 1.83   0.374% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  15.31 +/- 5.01   0.819% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  17.20 +/- 8.04   0.777% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.27 +/- 1.71   0.452% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.59 +/- 1.42   0.059% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  22.77 +/- 3.34   0.109% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  24.95 +/- 3.50   0.080% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.25 +/- 1.40   0.239% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.40 +/- 0.60   0.491% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.61 +/- 2.81   0.267% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.13 +/- 4.63   0.128% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.05 +/- 1.71   0.175% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  24.01 +/- 4.34   0.098% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  23.08 +/- 7.60   0.178% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  20.69 +/- 1.96   0.117% *  0.0059% (0.08   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.29, residual support = 104.1:
    * O T HA    LEU   40 - HB2   LEU   40   2.74 +/- 0.29  58.560% * 97.5395% (1.00  10.0 10.00   5.30 104.35) =  99.744%  kept
          HA    LYS+  99 - HB2   LEU   40   7.38 +/- 4.40  18.321% *  0.5296% (0.25   1.0  1.00   0.44   9.48) =   0.169%  kept
        T HA    GLU-  15 - HB2   LEU   40  13.10 +/- 3.51   4.251% *  0.9227% (0.95   1.0 10.00   0.02   0.02) =   0.068%
        T HA    ASN   35 - HB2   LEU   40   9.84 +/- 0.87   1.496% *  0.3661% (0.38   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LEU   40 - HB2   LEU   67  11.07 +/- 2.54   1.288% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   LEU   67  13.52 +/- 3.60   0.894% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   40  11.62 +/- 3.66   1.901% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  16.52 +/- 3.52   0.676% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   LEU   40  10.20 +/- 0.90   1.371% *  0.0366% (0.38   1.0  1.00   0.02   0.49) =   0.001%
          HA    SER   13 - HB2   LEU   40  18.29 +/- 3.32   0.345% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   LEU   40  19.29 +/- 7.31   0.536% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.40 +/- 3.21   0.553% *  0.0337% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   9.62 +/- 4.31   5.321% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  18.75 +/- 1.87   0.229% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.37 +/- 3.50   0.212% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  13.26 +/- 1.82   0.689% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  14.71 +/- 3.38   1.017% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  19.06 +/- 6.04   0.711% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  18.52 +/- 2.59   0.268% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.86 +/- 2.97   0.429% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  14.75 +/- 3.75   0.604% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  16.99 +/- 2.06   0.326% *  0.0037% (0.04   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 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 = 0.924, support = 4.32, residual support = 103.8:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  57.221% * 69.9238% (1.00  10.0 10.00   4.25 104.35) =  88.475%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.66 +/- 0.23  17.533% * 26.2432% (0.38  10.0  1.00   4.85 104.35) =  10.174%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.56 +/- 0.22  19.417% *  3.1374% (0.04  10.0  1.00   5.13  60.40) =   1.347%  kept
        T HB3   LEU   40 - HB2   LEU   67  10.36 +/- 2.62   0.620% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU   40   9.66 +/- 2.42   0.634% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.59 +/- 2.45   0.855% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  18.37 +/- 1.55   0.054% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  16.58 +/- 4.50   0.127% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  16.36 +/- 2.77   0.109% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  14.02 +/- 2.19   0.152% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  16.09 +/- 7.78   0.368% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  18.61 +/- 2.48   0.060% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67   9.54 +/- 2.80   0.963% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.99 +/- 1.90   0.167% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  16.10 +/- 2.56   0.099% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.15 +/- 1.38   0.097% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.92 +/- 0.85   0.695% *  0.0014% (0.02   1.0  1.00   0.02   0.51) =   0.000%
          QB    ALA  120 - HB2   LEU   67  16.61 +/- 3.97   0.136% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  16.44 +/- 5.74   0.528% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.57 +/- 1.86   0.164% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.51, residual support = 104.2:
    * O T HA    LEU   40 - HB3   LEU   40   2.41 +/- 0.26  67.412% * 97.4738% (1.00  10.0 10.00   5.52 104.35) =  99.813%  kept
          HA    LYS+  99 - HB3   LEU   40   6.64 +/- 4.65  18.132% *  0.5293% (0.25   1.0  1.00   0.44   9.48) =   0.146%  kept
        T HA    GLU-  15 - HB3   LEU   40  13.49 +/- 3.47   2.199% *  0.9221% (0.95   1.0 10.00   0.02   0.02) =   0.031%
        T HA    ASN   35 - HB3   LEU   40   9.80 +/- 1.02   1.171% *  0.3658% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLN   17 - HB3   LEU   40  12.08 +/- 3.93   1.780% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU   40  16.82 +/- 4.00   0.509% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LEU   40  19.32 +/- 7.76   0.711% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   LEU   40  10.41 +/- 0.58   0.934% *  0.0366% (0.38   1.0  1.00   0.02   0.49) =   0.001%
          HA    SER   13 - HB3   LEU   40  18.58 +/- 3.64   0.242% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  19.34 +/- 1.71   0.167% *  0.1144% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   8.22 +/- 2.01   2.654% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115  10.49 +/- 1.26   0.984% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  10.99 +/- 3.04   1.778% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  24.97 +/- 2.88   0.081% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.68 +/- 3.81   0.188% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.03 +/- 1.85   0.168% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.59 +/- 1.42   0.066% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.24 +/- 1.18   0.396% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  20.53 +/- 3.50   0.175% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  29.96 +/- 3.53   0.045% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  19.73 +/- 2.32   0.154% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.11 +/- 2.12   0.056% *  0.0043% (0.04   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 104.3:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  96.759% * 99.4293% (1.00  10.0 10.00   4.25 104.35) =  99.997%  kept
        T HB2   LEU   67 - HB3   LEU   40  10.36 +/- 2.62   1.059% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HB3   LEU   40  12.35 +/- 1.86   0.323% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.52 +/- 3.48   0.537% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  18.37 +/- 1.55   0.092% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.88 +/- 3.23   0.189% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.15 +/- 4.38   0.060% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  16.10 +/- 2.56   0.166% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  13.28 +/- 2.56   0.291% *  0.0093% (0.09   1.0  1.00   0.02   0.16) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.82 +/- 4.72   0.086% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.35 +/- 1.49   0.238% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  17.85 +/- 3.47   0.151% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  27.45 +/- 3.85   0.033% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  35.12 +/- 4.72   0.016% *  0.0036% (0.04   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 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 75.9:
    * O T HB    VAL   41 - HA    VAL   41   2.62 +/- 0.24  88.522% * 99.0830% (0.69  10.0 10.00   4.31  75.92) =  99.990%  kept
          HG12  ILE  103 - HA    VAL   41  10.16 +/- 2.51   2.670% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HA    VAL   41  10.09 +/- 1.46   1.922% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    VAL   41  12.63 +/- 2.55   1.186% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  12.47 +/- 1.60   0.964% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.19 +/- 1.44   1.020% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    VAL   41  12.75 +/- 2.52   0.973% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  20.16 +/- 4.78   0.376% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    VAL   41  22.30 +/- 3.54   0.244% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  12.00 +/- 2.01   1.229% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  22.53 +/- 2.16   0.162% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.64 +/- 1.67   0.279% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.40 +/- 1.86   0.260% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  21.06 +/- 1.83   0.195% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.22, residual support = 75.3:
    * O T QG1   VAL   41 - HA    VAL   41   2.75 +/- 0.36  53.156% * 93.8417% (1.00  10.0 10.00   4.25  75.92) =  99.209%  kept
          QG1   VAL   43 - HA    VAL   41   6.24 +/- 1.16   7.095% *  5.0458% (0.95   1.0  1.00   1.14   1.33) =   0.712%  kept
        T QG2   VAL   18 - HA    VAL   41   9.14 +/- 3.69   3.032% *  0.7172% (0.76   1.0 10.00   0.02   0.02) =   0.043%
          QD2   LEU   73 - HA    VAL   41   5.17 +/- 1.43  19.624% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.016%
        T QD2   LEU  104 - HA    VAL   41   8.55 +/- 2.06   2.286% *  0.1857% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE   19 - HA    VAL   41   8.64 +/- 3.15   9.849% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HA    VAL   41   8.69 +/- 2.57   3.832% *  0.0569% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   41  12.40 +/- 1.37   0.749% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  15.69 +/- 2.60   0.379% *  0.0209% (0.22   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 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 75.8:
    * O T QG2   VAL   41 - HA    VAL   41   2.56 +/- 0.47  80.871% * 98.6596% (1.00  10.0 10.00   3.94  75.92) =  99.796%  kept
          QD2   LEU   98 - HA    VAL   41   6.01 +/- 2.26  13.444% *  1.1872% (0.95   1.0  1.00   0.25  22.23) =   0.200%  kept
          QD2   LEU   63 - HA    VAL   41   8.92 +/- 2.51   4.531% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   80 - HA    VAL   41  14.54 +/- 4.00   1.154% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 75.9:
    * O T HA    VAL   41 - HB    VAL   41   2.62 +/- 0.24  97.256% * 99.8595% (0.69  10.0 10.00   4.31  75.92) =  99.998%  kept
          HA    HIS  122 - HB    VAL   41  18.96 +/- 7.18   1.872% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB    VAL   41  12.95 +/- 1.20   0.872% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 4.27, residual support = 75.4:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  63.372% * 93.0934% (0.69  10.0 10.00   4.29  75.92) =  99.266%  kept
          QG1   VAL   43 - HB    VAL   41   5.94 +/- 1.61   6.798% *  5.8031% (0.65   1.0  1.00   1.32   1.33) =   0.664%  kept
        T QG2   VAL   18 - HB    VAL   41  10.05 +/- 4.05   3.772% *  0.7114% (0.52   1.0 10.00   0.02   0.02) =   0.045%
          QD2   LEU   73 - HB    VAL   41   5.17 +/- 1.80  14.816% *  0.0417% (0.31   1.0  1.00   0.02   0.02) =   0.010%
        T QD2   LEU  104 - HB    VAL   41   8.23 +/- 2.32   2.297% *  0.1842% (0.14   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HB    VAL   41   7.42 +/- 3.67   6.067% *  0.0565% (0.42   1.0  1.00   0.02   0.02) =   0.006%
          QD1   ILE   19 - HB    VAL   41   8.93 +/- 3.25   2.398% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  12.94 +/- 1.54   0.321% *  0.0602% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  16.63 +/- 2.83   0.161% *  0.0207% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 4.18, residual support = 74.9:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  75.547% * 93.8898% (0.69  10.0 10.00   4.24  75.92) =  98.138%  kept
          QD2   LEU   98 - HB    VAL   41   4.95 +/- 2.49  22.545% *  5.9644% (0.65   1.0  1.00   1.34  22.23) =   1.860%  kept
          QD2   LEU   63 - HB    VAL   41  10.46 +/- 2.75   1.251% *  0.0569% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB    VAL   41  14.28 +/- 4.53   0.656% *  0.0888% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 75.9:
    * O T HA    VAL   41 - QG2   VAL   41   2.56 +/- 0.47  97.416% * 99.8595% (1.00  10.0 10.00   3.94  75.92) =  99.998%  kept
          HA    PHE   45 - QG2   VAL   41  10.85 +/- 0.60   1.744% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   41  16.43 +/- 5.57   0.840% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.24, residual support = 75.9:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  86.574% * 99.0830% (0.69  10.0 10.00   4.24  75.92) =  99.987%  kept
          HG12  ILE  103 - QG2   VAL   41   7.41 +/- 2.54   4.949% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  103 - QG2   VAL   41   9.49 +/- 2.65   1.781% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QG2   VAL   41   7.94 +/- 2.20   2.503% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   VAL   41  10.93 +/- 1.97   0.812% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.88 +/- 1.21   0.548% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.30 +/- 1.24   0.502% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.67 +/- 2.90   0.245% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  18.29 +/- 3.68   0.198% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.95 +/- 1.87   1.120% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  16.22 +/- 1.31   0.210% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.62 +/- 1.96   0.256% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  20.12 +/- 1.81   0.112% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  17.18 +/- 2.12   0.188% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.91, residual support = 74.2:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.05  46.969% * 89.5304% (1.00  10.0 10.00   3.97  75.92) =  97.697%  kept
          QG1   VAL   43 - QG2   VAL   41   4.80 +/- 1.44   9.307% *  7.6452% (0.95   1.0  1.00   1.81   1.33) =   1.653%  kept
          QD2   LEU   73 - QG2   VAL   41   4.41 +/- 1.73  18.493% *  0.7691% (0.45   1.0  1.00   0.38   0.02) =   0.330%  kept
          HG    LEU   31 - QG2   VAL   41   6.16 +/- 3.41  10.555% *  1.0884% (0.61   1.0  1.00   0.40   0.02) =   0.267%  kept
        T QG2   VAL   18 - QG2   VAL   41   8.54 +/- 3.54   1.999% *  0.6842% (0.76   1.0 10.00   0.02   0.02) =   0.032%
        T QD2   LEU  104 - QG2   VAL   41   6.89 +/- 1.91   3.591% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.015%
          QD1   ILE   19 - QG2   VAL   41   7.39 +/- 3.22   8.590% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - QG2   VAL   41  10.93 +/- 1.01   0.335% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  14.33 +/- 2.09   0.160% *  0.0199% (0.22   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 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 = 4.44, residual support = 86.1:
    * O T HB    VAL   42 - HA    VAL   42   2.86 +/- 0.17  55.138% * 87.2654% (0.87  10.0 10.00   4.52  88.48) =  97.293%  kept
          QB    LEU   98 - HA    VAL   42   5.22 +/- 1.72  14.782% *  6.7466% (0.76   1.0  1.00   1.76   0.43) =   2.017%  kept
          HB3   LEU   73 - HA    VAL   42   7.68 +/- 2.58  11.613% *  2.1741% (0.80   1.0  1.00   0.54   1.52) =   0.511%  kept
        T HB2   LYS+ 112 - HA    PHE   55   9.15 +/- 3.78   3.538% *  2.2181% (0.16   1.0 10.00   0.27   1.59) =   0.159%  kept
        T HB2   LYS+ 112 - HA    VAL   42  17.60 +/- 3.02   0.420% *  0.6910% (0.69   1.0 10.00   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HA    VAL   42  14.70 +/- 7.82   4.382% *  0.0451% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HA    VAL   42   9.23 +/- 2.80   3.274% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HA    VAL   42  10.47 +/- 1.86   1.765% *  0.0490% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    VAL   42  13.07 +/- 2.15   0.711% *  0.0929% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  13.27 +/- 2.37   0.703% *  0.0769% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    VAL   42  13.89 +/- 1.85   0.560% *  0.0873% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  19.50 +/- 2.42   0.220% *  0.2054% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  19.60 +/- 3.54   0.313% *  0.0971% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    VAL   42  15.13 +/- 2.72   0.513% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  17.06 +/- 2.12   0.330% *  0.0205% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  17.41 +/- 3.19   0.519% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  21.21 +/- 2.62   0.173% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  28.46 +/- 5.01   0.134% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  19.84 +/- 3.52   0.257% *  0.0115% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  22.29 +/- 2.38   0.153% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  21.90 +/- 3.88   0.169% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.96 +/- 4.03   0.213% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.60 +/- 2.55   0.064% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  30.70 +/- 3.26   0.055% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.4:
    * O T QG1   VAL   42 - HA    VAL   42   2.64 +/- 0.32  81.097% * 98.1799% (0.97  10.0 10.00   4.00  88.48) =  99.964%  kept
        T QB    ALA   64 - HA    VAL   42   6.78 +/- 1.15   7.406% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.019%
        T QB    ALA   47 - HA    VAL   42  13.94 +/- 1.71   0.733% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QB    ALA   47 - HA    PHE   55  10.98 +/- 1.40   1.424% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   42 - HA    PHE   55  14.89 +/- 2.24   0.596% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HA    PHE   55   9.06 +/- 3.48   7.624% *  0.0164% (0.16   1.0  1.00   0.02   1.59) =   0.002%
          HG2   LYS+ 112 - HA    VAL   42  17.28 +/- 3.06   0.550% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  14.34 +/- 0.95   0.570% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.98, residual support = 88.0:
    * O T QG2   VAL   42 - HA    VAL   42   2.35 +/- 0.40  85.098% * 96.8205% (0.80  10.0 10.00   4.00  88.48) =  99.503%  kept
          QG2   VAL   75 - HA    VAL   42   6.61 +/- 2.02  13.991% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.496%  kept
        T QG2   VAL   42 - HA    PHE   55  16.34 +/- 2.39   0.418% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   75 - HA    PHE   55  16.02 +/- 1.87   0.493% *  0.0184% (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 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.52, residual support = 88.4:
    * O T HA    VAL   42 - HB    VAL   42   2.86 +/- 0.17  81.167% * 97.9628% (0.87  10.0 10.00   4.52  88.48) =  99.961%  kept
        T HA    PHE   55 - HB2   LYS+ 112   9.15 +/- 3.78   5.229% *  0.3914% (0.35   1.0 10.00   0.02   1.59) =   0.026%
        T HA    VAL   42 - HB2   LYS+ 112  17.60 +/- 3.02   0.609% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HA    PHE   55 - HB    VAL   42  19.50 +/- 2.42   0.320% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB    VAL   42  11.64 +/- 4.46   2.307% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - HB2   LYS+ 112  12.66 +/- 2.85   2.589% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   8.44 +/- 1.08   3.849% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.20 +/- 0.87   0.920% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  14.63 +/- 0.71   0.636% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  17.21 +/- 3.59   0.981% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.60 +/- 2.74   0.597% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  17.69 +/- 1.80   0.406% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.30 +/- 4.44   0.304% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  29.94 +/- 3.43   0.085% *  0.0419% (0.37   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 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 = 0.743, support = 5.01, residual support = 121.8:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  55.763% * 64.9663% (0.84  10.0 10.00   4.52  88.48) =  77.554%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.60 +/- 0.26  32.003% * 32.6334% (0.42  10.0 10.00   6.74 238.04) =  22.358%  kept
          QB    ALA   64 - HB    VAL   42   5.27 +/- 1.24  10.034% *  0.3243% (0.17   1.0  1.00   0.49   0.02) =   0.070%
        T QG1   VAL   42 - HB2   LYS+ 112  12.58 +/- 2.43   0.842% *  0.4585% (0.59   1.0 10.00   0.02   0.02) =   0.008%
        T QB    ALA   47 - HB2   LYS+ 112  11.84 +/- 2.44   0.549% *  0.4740% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T QB    ALA   47 - HB    VAL   42  14.03 +/- 1.51   0.228% *  0.6717% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB    VAL   42  16.57 +/- 3.10   0.192% *  0.4624% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB2   LYS+ 112  13.97 +/- 2.50   0.389% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 4.35, residual support = 88.3:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  92.453% * 96.8359% (0.69  10.0 10.00   4.36  88.48) =  99.845%  kept
          QG2   VAL   75 - HB    VAL   42   7.15 +/- 1.71   5.482% *  2.4255% (0.56   1.0  1.00   0.62   0.02) =   0.148%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  13.73 +/- 2.50   0.759% *  0.6834% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - HB2   LYS+ 112  14.22 +/- 3.25   1.306% *  0.0552% (0.40   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 86.3:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.01  55.979% * 88.8280% (0.84  10.0 10.00   4.52  88.48) =  97.518%  kept
          HB3   LEU   73 - QG1   VAL   42   6.58 +/- 2.53  20.416% *  5.7106% (0.77   1.0  1.00   1.39   1.52) =   2.286%  kept
          QB    LEU   98 - QG1   VAL   42   6.31 +/- 1.41   3.458% *  2.2279% (0.74   1.0  1.00   0.57   0.43) =   0.151%  kept
        T HB2   LYS+ 112 - QG1   VAL   42  12.58 +/- 2.43   0.912% *  0.7034% (0.66   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   LYS+ 112 - QB    ALA   47  11.84 +/- 2.44   0.554% *  0.6075% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QB    LEU   98 - QB    ALA   47  14.83 +/- 2.98   3.864% *  0.0676% (0.64   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  65 - QB    ALA   47  12.03 +/- 4.59   2.955% *  0.0767% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HB    VAL   42 - QB    ALA   47  14.03 +/- 1.51   0.235% *  0.7671% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - QG1   VAL   42   7.96 +/- 2.40   2.547% *  0.0580% (0.55   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QG1   VAL   42  11.14 +/- 5.84   2.715% *  0.0459% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QG1   VAL   42   8.32 +/- 1.79   1.430% *  0.0498% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   42  10.07 +/- 1.93   0.790% *  0.0888% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    ALA   47  11.52 +/- 2.11   0.924% *  0.0430% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    ALA   47  13.09 +/- 2.01   0.492% *  0.0708% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  12.17 +/- 1.48   0.328% *  0.0945% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QB    ALA   47  11.54 +/- 2.96   0.896% *  0.0273% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.97 +/- 2.00   0.284% *  0.0783% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.72 +/- 2.83   0.181% *  0.0988% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.03 +/- 2.19   0.252% *  0.0501% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.95 +/- 2.29   0.332% *  0.0316% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  21.85 +/- 4.10   0.099% *  0.0853% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  21.76 +/- 3.24   0.115% *  0.0676% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  20.82 +/- 2.57   0.080% *  0.0816% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  17.36 +/- 2.89   0.161% *  0.0396% (0.37   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 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 = 0.771, support = 3.97, residual support = 87.7:
    * O T QG2   VAL   42 - QG1   VAL   42   2.06 +/- 0.06  75.509% * 96.1881% (0.77  10.0 10.00   4.00  88.48) =  99.097%  kept
          QG2   VAL   75 - QG1   VAL   42   5.33 +/- 1.75  22.533% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.896%  kept
        T QG2   VAL   42 - QB    ALA   47  11.92 +/- 1.50   0.536% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - QB    ALA   47   8.82 +/- 1.49   1.422% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.5:
    * O T HA    VAL   42 - QG2   VAL   42   2.35 +/- 0.40  91.642% * 99.2010% (0.80  10.0 10.00   4.00  88.48) =  99.993%  kept
          HA    GLN   17 - QG2   VAL   42  10.42 +/- 3.49   4.270% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T HA    PHE   55 - QG2   VAL   42  16.34 +/- 2.39   0.446% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR   46 - QG2   VAL   42  11.22 +/- 0.95   1.338% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.71 +/- 1.15   0.999% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG2   VAL   42  13.25 +/- 2.20   0.785% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  14.61 +/- 1.16   0.520% *  0.0372% (0.30   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.34, residual support = 88.0:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  63.708% * 92.6551% (0.69  10.0 10.00   4.36  88.48) =  99.428%  kept
          HB3   LEU   73 - QG2   VAL   42   7.42 +/- 2.39   4.458% *  3.7179% (0.64   1.0  1.00   0.87   1.52) =   0.279%  kept
          QB    LEU   98 - QG2   VAL   42   5.47 +/- 1.44   6.731% *  2.3239% (0.61   1.0  1.00   0.57   0.43) =   0.263%  kept
          HD3   LYS+ 121 - QG2   VAL   42  10.89 +/- 6.86  15.565% *  0.0479% (0.36   1.0  1.00   0.02   0.02) =   0.013%
        T HB2   LYS+ 112 - QG2   VAL   42  13.73 +/- 2.50   0.542% *  0.7337% (0.55   1.0 10.00   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - QG2   VAL   42   7.87 +/- 2.42   5.191% *  0.0605% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LYS+  74 - QG2   VAL   42   9.38 +/- 1.97   1.797% *  0.0520% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG2   VAL   42  11.00 +/- 1.53   0.587% *  0.0927% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG2   VAL   42  11.49 +/- 1.23   0.448% *  0.0986% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  11.86 +/- 2.14   0.455% *  0.0816% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  16.36 +/- 2.84   0.240% *  0.1031% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.87 +/- 1.98   0.277% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 4.0, residual support = 88.4:
    * O T QG1   VAL   42 - QG2   VAL   42   2.06 +/- 0.06  84.288% * 98.4186% (0.77  10.0 10.00   4.00  88.48) =  99.906%  kept
          QB    ALA   64 - QG2   VAL   42   5.18 +/- 1.33  14.662% *  0.4938% (0.16   1.0  1.00   0.49   0.02) =   0.087%
        T QB    ALA   47 - QG2   VAL   42  11.92 +/- 1.50   0.553% *  1.0175% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - QG2   VAL   42  13.45 +/- 2.62   0.496% *  0.0701% (0.55   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 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.7:
    * O T HB    VAL   43 - HA    VAL   43   2.81 +/- 0.21  96.762% * 99.7401% (0.97  10.0 10.00   3.30  60.75) =  99.997%  kept
          HB2   LYS+  99 - HA    VAL   43  12.30 +/- 1.60   1.477% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HA    VAL   43  16.11 +/- 1.92   0.627% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    VAL   43  13.99 +/- 3.72   1.134% *  0.0544% (0.53   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 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.889, support = 4.45, residual support = 59.6:
    * O T QG1   VAL   43 - HA    VAL   43   2.77 +/- 0.34  50.757% * 95.4174% (0.90  10.0 10.00   4.51  60.75) =  97.893%  kept
          QD2   LEU   73 - HA    VAL   43   4.31 +/- 1.21  24.415% *  4.1982% (0.53   1.0  1.00   1.50   7.51) =   2.072%  kept
          QG2   VAL   18 - HA    VAL   43   8.57 +/- 3.96  11.981% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.018%
          QG1   VAL   41 - HA    VAL   43   7.03 +/- 0.69   4.334% *  0.1055% (0.99   1.0  1.00   0.02   1.33) =   0.009%
          QG2   THR   46 - HA    VAL   43   7.88 +/- 1.02   2.914% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HA    VAL   43   9.83 +/- 2.85   2.063% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   43  10.30 +/- 2.45   1.470% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    VAL   43  10.17 +/- 1.41   1.367% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  12.87 +/- 2.18   0.698% *  0.0296% (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 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.97, residual support = 60.1:
    * O T QG2   VAL   43 - HA    VAL   43   2.26 +/- 0.30  88.639% * 81.8649% (0.69  10.0 10.00   3.00  60.75) =  99.002%  kept
        T QD2   LEU   31 - HA    VAL   43   8.15 +/- 2.68   4.028% * 18.1020% (0.73   1.0 10.00   0.42   0.02) =   0.995%  kept
          QG2   VAL   83 - HA    VAL   43   8.28 +/- 2.85   7.333% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.7:
    * O T HA    VAL   43 - HB    VAL   43   2.81 +/- 0.21  95.790% * 99.8083% (0.97  10.0 10.00   3.30  60.75) =  99.998%  kept
          HA    HIS   22 - HB    VAL   43  13.88 +/- 2.78   1.337% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB    VAL   43  15.40 +/- 1.58   0.679% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  11.14 +/- 1.58   2.195% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.87, residual support = 60.5:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.01  76.198% * 90.0180% (0.87  10.0 10.00   3.89  60.75) =  99.601%  kept
        T QG1   VAL   41 - HB    VAL   43   7.43 +/- 1.26   2.747% *  8.9061% (0.96   1.0 10.00   0.18   1.33) =   0.355%  kept
        T QG2   VAL   18 - HB    VAL   43  10.43 +/- 4.01   2.857% *  0.6895% (0.66   1.0 10.00   0.02   0.02) =   0.029%
          QD2   LEU   73 - HB    VAL   43   5.70 +/- 1.51  13.263% *  0.0528% (0.51   1.0  1.00   0.02   7.51) =   0.010%
        T QD2   LEU  104 - HB    VAL   43   9.35 +/- 1.47   1.134% *  0.1549% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HB    VAL   43  10.22 +/- 3.67   1.328% *  0.0689% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   43   8.77 +/- 1.16   1.307% *  0.0568% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    VAL   43  11.77 +/- 2.71   0.807% *  0.0250% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  13.69 +/- 2.27   0.360% *  0.0279% (0.27   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.84, residual support = 60.0:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.01  88.959% * 76.1567% (0.66  10.0 10.00   2.87  60.75) =  98.694%  kept
        T QD2   LEU   31 - HB    VAL   43   8.40 +/- 3.54   3.754% * 23.8125% (0.70   1.0 10.00   0.59   0.02) =   1.302%  kept
          QG2   VAL   83 - HB    VAL   43   7.44 +/- 2.63   7.287% *  0.0308% (0.27   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.51, residual support = 60.7:
    * O T HA    VAL   43 - QG1   VAL   43   2.77 +/- 0.34  93.321% * 99.8083% (0.90  10.0 10.00   4.51  60.75) =  99.996%  kept
          HA    HIS   22 - QG1   VAL   43  11.57 +/- 2.45   2.366% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  12.67 +/- 1.40   1.149% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - QG1   VAL   43   9.17 +/- 1.44   3.164% *  0.0222% (0.20   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 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.89, residual support = 60.7:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.01  96.981% * 99.7401% (0.87  10.0 10.00   3.89  60.75) =  99.997%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.66 +/- 1.49   1.669% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QG1   VAL   43  13.12 +/- 2.22   0.546% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  13.32 +/- 3.59   0.805% *  0.0544% (0.47   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 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 = 3.92, residual support = 59.1:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.04  77.813% * 75.7316% (0.62  10.0 10.00   4.01  60.75) =  97.276%  kept
        T QD2   LEU   31 - QG1   VAL   43   6.71 +/- 3.14   6.473% * 23.4085% (0.65   1.0 10.00   0.58   0.02) =   2.501%  kept
          QG2   VAL   83 - QG1   VAL   43   6.36 +/- 2.79  15.713% *  0.8599% (0.25   1.0  1.00   0.56   0.02) =   0.223%  kept
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.661, support = 2.86, residual support = 60.5:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.01  91.214% * 91.8933% (0.66  10.0 10.00   2.87  60.75) =  99.640%  kept
        T HB    VAL   43 - QD2   LEU   31   8.40 +/- 3.54   3.853% *  7.7985% (0.19   1.0 10.00   0.59   0.02) =   0.357%  kept
          HB2   LYS+  99 - QG2   VAL   43  10.61 +/- 1.24   0.868% *  0.0950% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  12.43 +/- 1.96   0.564% *  0.0944% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  11.53 +/- 3.04   1.720% *  0.0273% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   43  13.07 +/- 3.31   0.616% *  0.0501% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  11.69 +/- 2.13   0.810% *  0.0144% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  16.52 +/- 4.39   0.355% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.533, support = 4.3, residual support = 88.9:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.04  30.654% * 79.1618% (0.62  10.0 10.00   4.01  60.75) =  82.402%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.10 +/- 0.01  28.410% * 17.3965% (0.14  10.0 10.00   5.89 231.33) =  16.783%  kept
          QD2   LEU   73 - QG2   VAL   43   4.32 +/- 1.37  10.436% *  1.7415% (0.36   1.0  1.00   0.75   7.51) =   0.617%  kept
          QG1   VAL   41 - QD2   LEU   31   5.58 +/- 2.86   7.193% *  0.4785% (0.20   1.0  1.00   0.38   0.02) =   0.117%  kept
        T HG    LEU   31 - QG2   VAL   43   8.01 +/- 3.23   1.173% *  0.6063% (0.47   1.0 10.00   0.02   0.02) =   0.024%
          QD2   LEU   73 - QD2   LEU   31   4.72 +/- 1.77   8.211% *  0.0809% (0.10   1.0  1.00   0.12   2.12) =   0.023%
        T QG1   VAL   43 - QD2   LEU   31   6.71 +/- 3.14   2.655% *  0.2271% (0.18   1.0 10.00   0.02   0.02) =   0.020%
          QG1   VAL   41 - QG2   VAL   43   6.25 +/- 0.82   1.248% *  0.0875% (0.68   1.0  1.00   0.02   1.33) =   0.004%
          QG2   VAL   18 - QG2   VAL   43   8.38 +/- 3.50   1.727% *  0.0606% (0.47   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QG2   VAL   43   7.05 +/- 1.30   1.463% *  0.0500% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - QD2   LEU   31   8.78 +/- 1.69   3.184% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QG2   VAL   43   9.34 +/- 2.33   0.506% *  0.0220% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.77 +/- 1.14   1.384% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   8.63 +/- 1.38   0.516% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.80 +/- 1.94   0.203% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.64 +/- 1.91   0.237% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.08 +/- 2.69   0.715% *  0.0039% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.26 +/- 1.90   0.086% *  0.0070% (0.05   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 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 = 40.0:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.79 +/- 0.27  88.617% * 97.1917% (1.00  10.0 10.00   2.64  40.03) =  99.981%  kept
          HB3   PHE   72 - HA    ASP-  44   8.52 +/- 1.48   4.591% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T QG    GLU-  15 - HA    ASP-  44  17.33 +/- 2.97   0.455% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T QG    GLU-  14 - HA    ASP-  44  19.14 +/- 3.68   0.370% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HG12  ILE  119 - HA    ASP-  44  11.55 +/- 2.86   2.807% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - HA    ASP-  44  11.69 +/- 1.30   1.465% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    ASP-  44  24.68 +/- 4.00   0.165% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  12.03 +/- 0.82   1.186% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.31 +/- 1.93   0.345% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 4.15, residual support = 39.8:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.59 +/- 0.24  81.271% * 77.3286% (1.00  10.0 10.00   4.17  40.03) =  99.421%  kept
        T QB    ALA   84 - HA    ASP-  44  10.06 +/- 1.29   1.610% * 22.1129% (0.80   1.0 10.00   0.71   0.02) =   0.563%  kept
          HB2   LEU   63 - HA    ASP-  44   8.89 +/- 2.62   4.620% *  0.0758% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HA    ASP-  44   7.57 +/- 1.61   4.773% *  0.0591% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - HA    ASP-  44  10.88 +/- 1.96   1.786% *  0.0694% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ASP-  44  11.74 +/- 2.66   1.261% *  0.0714% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  14.77 +/- 2.15   0.564% *  0.0562% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44  10.00 +/- 1.84   1.789% *  0.0172% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  15.46 +/- 2.10   0.452% *  0.0619% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.88 +/- 2.85   0.259% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.94 +/- 1.09   0.392% *  0.0347% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  13.63 +/- 2.58   1.031% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.94 +/- 0.72   0.194% *  0.0264% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 40.0:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.79 +/- 0.27  89.275% * 98.1053% (1.00  10.0 10.00   2.64  40.03) =  99.990%  kept
          HB    THR   77 - HB2   ASP-  44  10.13 +/- 1.46   2.610% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HA    MET   11 - HB2   ASP-  44  26.81 +/- 4.35   0.130% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HB2   ASP-  44  19.74 +/- 2.89   0.305% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  12.96 +/- 1.83   1.452% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  13.67 +/- 1.07   0.918% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44  10.74 +/- 2.42   2.971% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  16.30 +/- 1.52   0.480% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   ASP-  44  15.34 +/- 1.64   0.687% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.81 +/- 1.57   0.571% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.85 +/- 2.08   0.441% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  24.54 +/- 3.52   0.160% *  0.0478% (0.49   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 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 = 2.77, residual support = 40.0:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  90.661% * 99.2040% (1.00  10.0 10.00   2.77  40.03) =  99.992%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.17 +/- 2.26   4.489% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HB2   ASP-  44   8.31 +/- 1.90   1.886% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HB2   ASP-  44  12.30 +/- 3.13   0.454% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.10 +/- 1.51   0.456% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  12.11 +/- 1.98   0.380% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.96 +/- 2.55   0.235% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.46 +/- 1.39   0.145% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  13.89 +/- 3.10   0.667% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.34 +/- 3.12   0.103% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.04 +/- 1.62   0.338% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.53 +/- 1.38   0.116% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.61 +/- 1.53   0.070% *  0.0338% (0.34   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 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 40.0:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.59 +/- 0.24  88.809% * 99.3093% (1.00  10.0 10.00   4.17  40.03) =  99.993%  kept
          HB    THR   77 - HB3   ASP-  44  10.14 +/- 1.84   2.301% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - HB3   ASP-  44  13.07 +/- 2.53   2.445% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - HB3   ASP-  44  13.57 +/- 1.26   0.699% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   ASP-  44  10.32 +/- 2.59   3.367% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  15.92 +/- 1.65   0.485% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   ASP-  44  15.96 +/- 1.51   0.452% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.52 +/- 2.09   0.465% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.43 +/- 1.39   0.472% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  27.74 +/- 4.54   0.134% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  20.67 +/- 3.04   0.240% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  25.49 +/- 3.71   0.130% *  0.0483% (0.49   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.77, residual support = 40.0:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  96.246% * 99.4398% (1.00  10.0 10.00   2.77  40.03) =  99.997%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.40 +/- 1.70   1.809% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB3   ASP-  44  10.88 +/- 3.00   0.979% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HB3   ASP-  44  12.70 +/- 1.43   0.296% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  17.15 +/- 2.79   0.123% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  18.69 +/- 3.72   0.117% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.62 +/- 1.09   0.280% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  24.29 +/- 3.99   0.052% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.42 +/- 2.17   0.099% *  0.0276% (0.28   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 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HB2   PHE   45 - HA    PHE   45   2.83 +/- 0.23  96.798% * 99.8680% (1.00  10.0 10.00   3.31  80.13) =  99.998%  kept
          QE    LYS+ 111 - HA    PHE   45  14.58 +/- 2.12   1.053% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HA    PHE   45  12.61 +/- 2.61   2.149% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 80.1:
    * O T HB3   PHE   45 - HA    PHE   45   2.74 +/- 0.27  85.221% * 99.6736% (1.00  10.0 10.00   3.99  80.13) =  99.990%  kept
          QE    LYS+ 112 - HA    PHE   45  12.91 +/- 3.12   4.843% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL  107 - HA    PHE   45  10.35 +/- 1.04   1.736% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HA    PHE   45  12.50 +/- 2.62   1.890% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  11.03 +/- 4.41   5.742% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    PHE   45  19.95 +/- 2.67   0.298% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.96 +/- 2.17   0.270% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HA    PHE   45 - HB2   PHE   45   2.83 +/- 0.23  98.658% * 99.9145% (1.00  10.0 10.00   3.31  80.13) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.79 +/- 0.97   0.999% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  19.82 +/- 2.87   0.343% *  0.0249% (0.25   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 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  95.250% * 99.6736% (1.00  10.0 10.00   3.31  80.13) =  99.997%  kept
          QE    LYS+ 112 - HB2   PHE   45  12.88 +/- 2.96   1.464% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - HB2   PHE   45   9.34 +/- 1.24   0.822% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB2   PHE   45  12.34 +/- 4.68   1.893% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.70 +/- 1.87   0.449% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  21.29 +/- 2.70   0.061% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  20.98 +/- 2.21   0.061% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 80.1:
    * O T HA    PHE   45 - HB3   PHE   45   2.74 +/- 0.27  98.879% * 99.9145% (1.00  10.0 10.00   3.99  80.13) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  14.12 +/- 0.48   0.781% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  19.86 +/- 2.87   0.340% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.402% * 99.8680% (1.00  10.0 10.00   3.31  80.13) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.42 +/- 2.37   0.333% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  14.36 +/- 2.67   0.265% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 34.1:
    * O T HB    THR   46 - HA    THR   46   2.56 +/- 0.14  96.900% * 98.0423% (1.00  10.0 10.00   2.92  34.15) =  99.996%  kept
        T HB    THR   46 - HA    SER   37  24.71 +/- 1.97   0.125% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HA    THR   46  11.72 +/- 2.74   1.770% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  25.90 +/- 3.44   0.118% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    THR   46  17.56 +/- 3.01   0.486% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  23.36 +/- 7.59   0.312% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  26.82 +/- 4.98   0.131% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  28.81 +/- 2.65   0.079% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  31.59 +/- 4.55   0.080% *  0.0384% (0.39   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 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HA    THR   46   3.08 +/- 0.28  67.738% * 97.3989% (1.00  10.0 10.00   3.00  34.15) =  99.964%  kept
          QD1   ILE   19 - HA    SER   37  10.11 +/- 2.89   4.385% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HA    SER   13   9.55 +/- 2.61   7.077% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HA    THR   46   9.12 +/- 1.57   3.488% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   THR   46 - HA    SER   37  20.53 +/- 1.60   0.262% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   41 - HA    SER   37   8.49 +/- 1.02   3.855% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   18 - HA    THR   46  12.02 +/- 3.43   1.879% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  21.20 +/- 2.85   0.266% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   13  11.81 +/- 1.45   1.577% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    SER   37  13.95 +/- 1.67   0.914% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   37  14.11 +/- 2.80   1.234% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  15.02 +/- 1.25   0.656% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  15.90 +/- 2.65   0.777% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  14.96 +/- 3.55   1.327% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  15.79 +/- 1.74   0.565% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  14.88 +/- 1.13   0.625% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   13  20.64 +/- 4.75   0.806% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.58 +/- 3.81   0.538% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.88 +/- 0.92   1.058% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.91 +/- 2.68   0.398% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  17.46 +/- 3.11   0.574% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 34.1:
    * O T HA    THR   46 - HB    THR   46   2.56 +/- 0.14  94.657% * 98.0777% (1.00  10.0 10.00   2.92  34.15) =  99.995%  kept
          HA    PRO   58 - HB    THR   46  10.86 +/- 3.09   3.142% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   37 - HB    THR   46  24.71 +/- 1.97   0.123% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  25.90 +/- 3.44   0.115% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.26 +/- 1.03   1.028% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    THR   46  17.57 +/- 3.69   0.408% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.01 +/- 1.66   0.319% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  21.22 +/- 3.05   0.208% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.02  91.952% * 99.5878% (1.00  10.0 10.00   3.00  34.15) =  99.993%  kept
          QG1   VAL   43 - HB    THR   46   8.79 +/- 1.63   5.442% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QG2   VAL   18 - HB    THR   46  11.12 +/- 3.15   1.104% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HB    THR   46  15.52 +/- 2.48   0.495% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  14.72 +/- 1.84   0.341% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.14 +/- 1.31   0.377% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.89 +/- 2.66   0.289% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HA    THR   46 - QG2   THR   46   3.08 +/- 0.28  88.011% * 98.0777% (1.00  10.0 10.00   3.00  34.15) =  99.986%  kept
          HA    PRO   58 - QG2   THR   46   9.21 +/- 2.27   5.901% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HA    SER   37 - QG2   THR   46  20.53 +/- 1.60   0.340% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HA    SER   13 - QG2   THR   46  21.20 +/- 2.85   0.350% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   42 - QG2   THR   46  10.52 +/- 1.29   2.636% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   THR   46  14.35 +/- 3.10   1.170% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG2   THR   46  15.16 +/- 1.72   1.032% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QG2   THR   46  17.39 +/- 2.50   0.560% *  0.0634% (0.65   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 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.02  95.921% * 99.8459% (1.00  10.0 10.00   3.00  34.15) =  99.997%  kept
          HA    LYS+ 112 - QG2   THR   46  10.32 +/- 2.65   3.437% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - QG2   THR   46  13.97 +/- 2.78   0.642% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.7:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.01  97.427% * 99.0048% (0.95  10.0 10.00   2.00  10.73) =  99.992%  kept
        T QG1   VAL   42 - HA    ALA   47  11.55 +/- 1.53   0.798% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HA    ALA   47  14.62 +/- 3.77   0.669% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  11.22 +/- 2.31   1.105% *  0.0323% (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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.93, support = 2.02, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.01  61.640% * 89.7919% (0.95  10.0 10.00   2.00  10.73) =  97.023%  kept
          HA    CYS   50 - QB    ALA   47   3.60 +/- 1.26  27.105% *  5.4488% (0.42   1.0  1.00   2.71   7.13) =   2.589%  kept
          HA    TRP   49 - QB    ALA   47   4.76 +/- 0.30   5.732% *  3.7765% (0.26   1.0  1.00   3.03  16.12) =   0.379%  kept
        T HA    ALA   47 - QG1   VAL   42  11.55 +/- 1.53   0.485% *  0.6877% (0.72   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL  108 - QG1   VAL   42   9.54 +/- 1.47   0.842% *  0.0674% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    ALA   47  11.49 +/- 2.26   0.539% *  0.0880% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    ALA   47  15.20 +/- 3.20   1.548% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  12.43 +/- 2.55   0.441% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.53 +/- 2.00   0.563% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.49 +/- 2.22   0.324% *  0.0308% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.64 +/- 1.94   0.568% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.35 +/- 2.19   0.212% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.69, residual support = 9.15:
    * O T QB    SER   48 - HA    SER   48   2.27 +/- 0.10  77.216% * 96.0221% (1.00  10.0 10.00   1.69   9.15) =  99.954%  kept
        T QB    SER   85 - HB2   SER   82   5.51 +/- 0.54   5.966% *  0.2561% (0.27   1.0 10.00   0.02   2.90) =   0.021%
        T QB    SER  117 - HA    SER   48  17.93 +/- 3.76   1.148% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.010%
        T QB    SER   85 - HA    SER   48  16.47 +/- 3.75   0.464% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER   48 - HB2   SER   82  16.36 +/- 4.91   0.491% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HA    SER   48   8.42 +/- 1.10   2.048% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HA    SER   48  14.52 +/- 4.79   1.530% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  17.87 +/- 4.18   0.341% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  23.49 +/- 4.78   0.107% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HB2   SER   82  23.03 +/- 3.60   0.189% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.41 +/- 1.18   0.523% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  18.42 +/- 3.15   0.212% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  20.95 +/- 5.14   0.312% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.53 +/- 4.78   1.883% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  12.16 +/- 3.52   1.397% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  22.55 +/- 4.79   0.171% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.63 +/- 1.99   0.357% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.62 +/- 1.09   1.252% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.88 +/- 2.46   0.084% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.12 +/- 2.58   2.795% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  19.09 +/- 6.05   0.347% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  19.63 +/- 5.01   0.270% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.83 +/- 2.24   0.247% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.81 +/- 4.41   0.116% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  21.31 +/- 3.48   0.127% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  28.73 +/- 4.26   0.067% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  28.67 +/- 4.25   0.065% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  23.15 +/- 4.20   0.106% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.28 +/- 6.59   0.073% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.33 +/- 2.95   0.098% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.15, residual support = 77.5:
    * O T HB2   TRP   49 - HA    TRP   49   2.40 +/- 0.14  85.492% * 50.9151% (1.00  10.0 10.00   4.23  85.26) =  90.312%  kept
        T HB2   TRP   49 - HA    CYS   50   5.30 +/- 0.52   9.721% * 47.9899% (0.94   1.0 10.00   3.42   5.41) =   9.679%  kept
        T HA2   GLY  109 - HA    CYS   50  15.99 +/- 3.92   0.585% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.005%
        T HA2   GLY  109 - HA    TRP   49  19.39 +/- 3.12   0.233% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR  118 - HA    TRP   49  21.33 +/- 4.28   0.638% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HA    CYS   50  16.37 +/- 3.78   0.618% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HA    TRP   49  19.45 +/- 4.44   0.420% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  17.39 +/- 3.79   0.439% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  15.99 +/- 2.97   0.454% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  18.11 +/- 3.14   0.327% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  14.45 +/- 2.23   0.674% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.64 +/- 1.85   0.399% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.83, support = 4.13, residual support = 76.0:
    * O T HB3   TRP   49 - HA    TRP   49   2.51 +/- 0.21  85.644% * 51.4295% (0.84  10.0 10.00   4.23  85.26) =  88.390%  kept
        T HB3   TRP   49 - HA    CYS   50   5.51 +/- 0.68  11.932% * 48.4748% (0.79   1.0 10.00   3.37   5.41) =  11.608%  kept
          HB3   PHE   59 - HA    CYS   50  11.99 +/- 2.76   1.573% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  14.90 +/- 2.89   0.851% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.15, residual support = 77.5:
    * O T HA    TRP   49 - HB2   TRP   49   2.40 +/- 0.14  85.691% * 51.0809% (1.00  10.0 10.00   4.23  85.26) =  90.285%  kept
        T HA    CYS   50 - HB2   TRP   49   5.30 +/- 0.52   9.743% * 48.3205% (0.95   1.0 10.00   3.42   5.41) =   9.710%  kept
        T HA1   GLY  109 - HB2   TRP   49  19.12 +/- 3.75   0.301% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   47 - HB2   TRP   49   6.98 +/- 0.34   3.580% *  0.0142% (0.28   1.0  1.00   0.02  16.12) =   0.001%
          HA    CYS   21 - HB2   TRP   49  21.24 +/- 4.42   0.366% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  18.67 +/- 2.81   0.245% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  29.30 +/- 3.86   0.074% *  0.0330% (0.65   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 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 = 85.3:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.717% * 99.9042% (0.84  10.0 10.00   3.13  85.26) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  15.52 +/- 2.85   0.283% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.83, support = 4.12, residual support = 75.9:
    * O T HA    TRP   49 - HB3   TRP   49   2.51 +/- 0.21  81.211% * 51.0678% (0.84  10.0 10.00   4.23  85.26) =  88.329%  kept
        T HA    CYS   50 - HB3   TRP   49   5.51 +/- 0.68  11.285% * 48.3081% (0.79   1.0 10.00   3.37   5.41) =  11.611%  kept
          HA    ALA   47 - HB3   TRP   49   6.41 +/- 0.41   5.692% *  0.4834% (0.23   1.0  1.00   0.68  16.12) =   0.059%
          HA    CYS   21 - HB3   TRP   49  21.03 +/- 4.56   1.229% *  0.0483% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - HB3   TRP   49  18.98 +/- 3.34   0.247% *  0.0493% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  29.00 +/- 3.81   0.099% *  0.0330% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  18.45 +/- 2.53   0.236% *  0.0101% (0.17   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.13, residual support = 85.3:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.098% * 99.6151% (0.84  10.0 10.00   3.13  85.26) =  99.999%  kept
          HA    ALA   84 - HB3   TRP   49  16.98 +/- 3.94   0.273% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  21.82 +/- 4.34   0.202% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  20.24 +/- 4.56   0.147% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  18.97 +/- 3.17   0.106% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.06 +/- 2.12   0.174% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.51:
    * O T QB    CYS   50 - HA    CYS   50   2.34 +/- 0.14  81.997% * 51.3514% (1.00  10.0 10.00   1.82   7.78) =  88.590%  kept
        T QB    CYS   50 - HA    TRP   49   4.76 +/- 0.38  11.201% * 48.4012% (0.94   1.0 10.00   3.04   5.41) =  11.407%  kept
          HB3   ASP-  78 - HA    TRP   49  13.94 +/- 5.62   3.063% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    CYS   50  13.15 +/- 3.08   0.672% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    TRP   49  13.89 +/- 2.48   0.661% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    CYS   50  22.10 +/- 5.66   0.589% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50  14.35 +/- 5.03   1.192% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  23.31 +/- 6.32   0.228% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.08 +/- 2.67   0.222% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  19.64 +/- 2.55   0.175% *  0.0165% (0.32   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 1.96, residual support = 7.51:
    * O T HA    CYS   50 - QB    CYS   50   2.34 +/- 0.14  77.661% * 50.1207% (1.00  10.0 10.00   1.82   7.78) =  88.129%  kept
        T HA    TRP   49 - QB    CYS   50   4.76 +/- 0.38  10.619% * 47.4122% (0.95   1.0 10.00   3.04   5.41) =  11.399%  kept
          HA    ALA   47 - QB    CYS   50   5.46 +/- 0.76   8.886% *  2.3374% (0.45   1.0  1.00   2.08   7.13) =   0.470%  kept
          HA1   GLY  109 - QB    CYS   50  14.46 +/- 3.57   1.430% *  0.0500% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - QB    CYS   50  16.85 +/- 3.93   0.563% *  0.0401% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYS   50  13.71 +/- 2.91   0.617% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.12 +/- 3.60   0.224% *  0.0225% (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 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 = 222.5:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  83.082% * 99.8323% (1.00  10.0 10.00   7.06 222.54) =  99.992%  kept
          HA    ALA   91 - HD2   PRO   52  12.76 +/- 4.88  10.386% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HD2   PRO   52  13.29 +/- 4.25   4.552% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - HD2   PRO   52  22.47 +/- 3.39   0.652% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  16.90 +/- 2.79   1.328% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 222.5:
    * O T HB2   PRO   52 - HD2   PRO   52   3.95 +/- 0.09  81.749% * 99.5699% (1.00  10.0 10.00   6.60 222.54) =  99.984%  kept
          HB2   ASP-  62 - HD2   PRO   52  13.76 +/- 4.67  17.406% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.012%
        T HG2   MET   96 - HD2   PRO   52  19.42 +/- 2.44   0.845% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 6.63, residual support = 221.4:
    * O T HB3   PRO   52 - HD2   PRO   52   3.94 +/- 0.09  54.441% * 96.3058% (1.00  10.0 10.00   6.66 222.54) =  99.504%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.99 +/- 0.79  10.575% *  1.9487% (0.38   1.0  1.00   1.08   1.85) =   0.391%  kept
        T HG    LEU  123 - HD2   PRO   52  18.01 +/- 5.50   4.149% *  0.9631% (1.00   1.0 10.00   0.02   0.02) =   0.076%
          QB    LYS+  66 - HD2   PRO   52  15.26 +/- 5.18  13.049% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.014%
          HG2   PRO   93 - HD2   PRO   52  10.02 +/- 4.30  11.178% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.006%
        T QB    LYS+  81 - HD2   PRO   52  16.66 +/- 3.97   1.437% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+  33 - HD2   PRO   52  25.41 +/- 3.09   0.277% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  21.62 +/- 7.05   1.057% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  22.21 +/- 3.18   0.565% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  22.94 +/- 3.39   0.434% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   52  15.92 +/- 4.42   1.751% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   52  20.88 +/- 2.83   0.480% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.21 +/- 3.00   0.314% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.45 +/- 3.19   0.292% *  0.0149% (0.15   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 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 222.5:
    * O T HG2   PRO   52 - HD2   PRO   52   2.36 +/- 0.17  93.426% * 99.6094% (1.00  10.0 10.00   6.46 222.54) =  99.996%  kept
          HG2   MET   92 - HD2   PRO   52  11.42 +/- 5.32   4.224% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HD2   PRO   52  13.34 +/- 2.48   0.792% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD2   PRO   52  16.90 +/- 3.78   0.475% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.87 +/- 2.51   0.930% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.25 +/- 4.82   0.103% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  32.77 +/- 3.99   0.050% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 222.5:
    * O T HG3   PRO   52 - HD2   PRO   52   2.81 +/- 0.17  89.514% * 98.5427% (1.00  10.0 10.00   6.46 222.54) =  99.970%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.70 +/- 2.39   2.385% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.027%
          HB2   PRO   93 - HD2   PRO   52   9.71 +/- 3.79   6.017% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - HD2   PRO   52  22.65 +/- 7.05   1.192% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.18 +/- 3.59   0.200% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  35.27 +/- 7.79   0.206% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.68 +/- 5.53   0.150% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.55 +/- 4.56   0.336% *  0.0152% (0.15   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 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 222.5:
    * O T HB2   PRO   52 - HA    PRO   52   2.50 +/- 0.21  97.008% * 99.5699% (1.00  10.0 10.00   5.22 222.54) =  99.998%  kept
          HB2   ASP-  62 - HA    PRO   52  13.90 +/- 3.83   2.793% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   MET   96 - HA    PRO   52  20.79 +/- 2.40   0.199% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.17, residual support = 222.3:
    * O T HB3   PRO   52 - HA    PRO   52   2.54 +/- 0.21  69.124% * 98.8795% (1.00  10.0 10.00   6.17 222.54) =  99.881%  kept
          HG2   ARG+  54 - HA    PRO   52   5.40 +/- 1.45  17.064% *  0.4401% (0.38   1.0  1.00   0.24   1.85) =   0.110%  kept
          HG2   PRO   93 - HA    PRO   52  11.07 +/- 5.15   8.356% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HA    PRO   52  16.45 +/- 4.73   1.344% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    PRO   52  16.25 +/- 3.99   2.268% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HA    PRO   52  19.40 +/- 3.69   0.237% *  0.1526% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    PRO   52  22.53 +/- 6.17   0.282% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  18.41 +/- 4.83   0.618% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.65 +/- 3.01   0.159% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  24.20 +/- 3.14   0.113% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  21.18 +/- 3.19   0.170% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  25.30 +/- 2.96   0.093% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  26.63 +/- 3.02   0.083% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  26.37 +/- 3.04   0.089% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.5:
    * O T HG2   PRO   52 - HA    PRO   52   3.96 +/- 0.03  78.141% * 99.6094% (1.00  10.0 10.00   5.98 222.54) =  99.984%  kept
          HG2   MET   92 - HA    PRO   52  13.34 +/- 5.77  11.076% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU- 114 - HA    PRO   52  12.62 +/- 3.01   5.202% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HA    PRO   52  19.66 +/- 3.73   1.015% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PRO   52  12.82 +/- 1.93   4.105% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    PRO   52  29.23 +/- 5.11   0.295% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  33.90 +/- 3.99   0.165% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.25 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 222.3:
    * O T HG3   PRO   52 - HA    PRO   52   3.89 +/- 0.03  75.824% * 98.7160% (1.00  10.0 10.00   5.95 222.54) =  99.881%  kept
        T HG2   PRO   58 - HA    PRO   52  11.19 +/- 2.02   8.467% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.112%  kept
          HB2   PRO   93 - HA    PRO   52  11.15 +/- 4.30  12.629% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HG2   MET   11 - HA    PRO   52  36.55 +/- 8.11   0.779% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   52  23.55 +/- 6.18   1.124% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  29.93 +/- 5.47   0.281% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.74 +/- 4.50   0.581% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.47 +/- 3.29   0.315% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.64 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 222.5:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  86.289% * 99.4673% (1.00  10.0 10.00   7.06 222.54) =  99.991%  kept
          HA    SER   48 - HA    PRO   52  10.75 +/- 1.39   5.448% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+  65 - HA    PRO   52  18.54 +/- 3.53   1.693% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HA    PRO   52  21.42 +/- 4.10   0.890% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    PRO   52  17.04 +/- 3.81   2.508% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  20.91 +/- 3.11   0.774% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.42 +/- 4.00   0.357% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  26.99 +/- 3.82   0.382% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  21.99 +/- 2.62   0.621% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  24.30 +/- 3.52   0.496% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.57 +/- 3.73   0.292% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.08 +/- 3.56   0.250% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.64 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 222.5:
    * O T HA    PRO   52 - HB2   PRO   52   2.50 +/- 0.21  88.004% * 99.4915% (1.00  10.0 10.00   5.22 222.54) =  99.994%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.47 +/- 6.12   4.635% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB2   PRO   52  13.87 +/- 5.74   2.494% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - HG2   MET   96  20.79 +/- 2.40   0.180% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   MET   96   8.56 +/- 0.64   2.347% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.96 +/- 4.65   0.670% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  15.17 +/- 3.40   0.586% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  23.84 +/- 3.53   0.148% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.90 +/- 1.83   0.403% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.62 +/- 1.70   0.534% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 0.998, support = 6.39, residual support = 221.9:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  75.545% * 96.4915% (1.00  10.0 10.00   6.40 222.54) =  99.721%  kept
          HG12  ILE  103 - HG2   MET   96   4.23 +/- 1.02   8.499% *  2.3447% (0.26   1.0  1.00   1.84   7.10) =   0.273%  kept
          HG2   PRO   93 - HB2   PRO   52   9.83 +/- 5.92   6.144% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HB2   PRO   52  16.37 +/- 4.08   1.072% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PRO   52   7.51 +/- 1.32   1.379% *  0.0362% (0.38   1.0  1.00   0.02   1.85) =   0.001%
          HG    LEU  123 - HB2   PRO   52  16.41 +/- 4.65   0.438% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   MET   96   5.66 +/- 0.69   2.568% *  0.0117% (0.12   1.0  1.00   0.02   7.10) =   0.000%
          HB    VAL   41 - HG2   MET   96   9.74 +/- 2.93   0.924% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.68 +/- 3.06   0.070% *  0.2835% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  18.61 +/- 3.70   0.094% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   7.65 +/- 0.95   1.102% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.93 +/- 2.51   0.132% *  0.0437% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  17.03 +/- 5.44   0.283% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  22.95 +/- 3.62   0.072% *  0.0737% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  22.57 +/- 6.31   0.107% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  23.20 +/- 3.90   0.041% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.10 +/- 0.59   0.563% *  0.0044% (0.05   1.0  1.00   0.02   0.13) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.12 +/- 2.68   0.147% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  20.37 +/- 3.58   0.061% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  19.62 +/- 4.05   0.070% *  0.0283% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.91 +/- 0.93   0.159% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  24.24 +/- 3.64   0.035% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.34 +/- 3.24   0.100% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.27 +/- 2.40   0.182% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  16.78 +/- 2.51   0.111% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.26 +/- 3.47   0.031% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.96 +/- 1.91   0.042% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  25.52 +/- 3.47   0.030% *  0.0149% (0.15   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 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.17, residual support = 222.4:
    * O T HG2   PRO   52 - HB2   PRO   52   2.66 +/- 0.32  75.741% * 98.9941% (1.00  10.0 10.00   6.17 222.54) =  99.941%  kept
          HG2   MET   92 - HB2   PRO   52  11.95 +/- 6.44  14.532% *  0.2770% (0.65   1.0  1.00   0.09   0.02) =   0.054%
          QG    GLU- 114 - HB2   PRO   52  11.67 +/- 3.81   2.622% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   52 - HG2   MET   96  18.69 +/- 3.01   0.318% *  0.2908% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HB2   PRO   52  13.37 +/- 2.44   2.089% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.98 +/- 3.61   0.271% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.40 +/- 2.83   0.909% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.68 +/- 2.10   0.976% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.39 +/- 1.47   0.552% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.83 +/- 4.98   0.092% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  21.31 +/- 4.00   0.229% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  17.85 +/- 4.16   1.390% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  33.50 +/- 4.43   0.071% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  21.98 +/- 3.34   0.209% *  0.0188% (0.19   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 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 222.5:
    * O T HG3   PRO   52 - HB2   PRO   52   2.54 +/- 0.26  85.599% * 98.0617% (1.00  10.0 10.00   6.15 222.54) =  99.970%  kept
        T HG2   PRO   58 - HB2   PRO   52  11.79 +/- 2.37   2.069% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.024%
          HB2   PRO   93 - HB2   PRO   52  10.10 +/- 5.10   7.820% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   58 - HG2   MET   96  18.26 +/- 3.82   0.421% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  19.74 +/- 3.21   0.240% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB2   PRO   52  23.62 +/- 6.30   0.618% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  36.52 +/- 7.91   0.109% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.79 +/- 5.50   0.089% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.78 +/- 0.87   0.712% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.26 +/- 4.42   0.194% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  16.09 +/- 4.75   1.036% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.19 +/- 2.56   0.282% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.24 +/- 4.51   0.184% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  30.61 +/- 5.53   0.092% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  16.57 +/- 3.51   0.429% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.02 +/- 3.72   0.106% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 222.5:
    * O T HD2   PRO   52 - HB2   PRO   52   3.95 +/- 0.09  69.427% * 99.0230% (1.00  10.0 10.00   6.60 222.54) =  99.983%  kept
          HA    SER   48 - HB2   PRO   52  11.08 +/- 1.16   3.626% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - HG2   MET   96  19.42 +/- 2.44   0.721% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - HB2   PRO   52  18.48 +/- 4.12   2.347% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PRO   52  19.97 +/- 4.89   1.114% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   MET   96  12.89 +/- 3.37   2.897% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PRO   52  16.78 +/- 3.81   2.481% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  19.77 +/- 3.59   0.815% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  17.47 +/- 4.25   1.317% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HB2   PRO   52  29.89 +/- 4.52   0.378% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   MET   96  14.05 +/- 2.89   2.114% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  15.92 +/- 2.98   1.755% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.23 +/- 6.04   1.853% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  18.02 +/- 2.34   1.099% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  26.86 +/- 4.31   0.384% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  21.78 +/- 3.12   0.595% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  16.84 +/- 3.52   1.543% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.73 +/- 4.47   1.815% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  23.29 +/- 3.53   0.426% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  18.26 +/- 3.74   1.037% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.09 +/- 4.06   0.266% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.65 +/- 4.45   0.955% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  30.64 +/- 4.10   0.247% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  19.29 +/- 3.01   0.786% *  0.0045% (0.05   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 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 222.5:
    * O T HA    PRO   52 - HB3   PRO   52   2.54 +/- 0.21  90.673% * 99.6990% (1.00  10.0 10.00   6.17 222.54) =  99.997%  kept
          HA    LYS+ 111 - HB3   PRO   52  11.36 +/- 5.18   2.761% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52  13.55 +/- 5.22   2.005% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  19.40 +/- 3.69   0.305% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  15.87 +/- 4.14   0.770% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.85 +/- 2.97   0.148% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.13 +/- 2.69   1.816% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  17.33 +/- 5.59   0.653% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  19.06 +/- 3.15   0.334% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.13 +/- 2.85   0.536% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.4, residual support = 222.5:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  93.747% * 99.4073% (1.00  10.0 10.00   6.40 222.54) =  99.996%  kept
          HB2   ASP-  62 - HB3   PRO   52  13.90 +/- 4.69   5.796% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   MET   96 - HB3   PRO   52  19.68 +/- 3.06   0.088% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  18.61 +/- 3.70   0.117% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.93 +/- 2.51   0.164% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  19.57 +/- 3.01   0.087% *  0.0065% (0.06   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 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 222.4:
    * O T HG2   PRO   52 - HB3   PRO   52   2.59 +/- 0.32  73.101% * 99.1983% (1.00  10.0 10.00   6.20 222.54) =  99.946%  kept
          HG2   MET   92 - HB3   PRO   52  11.61 +/- 5.75  11.931% *  0.3027% (0.65   1.0  1.00   0.09   0.02) =   0.050%
          QG    GLU- 114 - HB3   PRO   52  11.62 +/- 3.06   1.635% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - QB    LYS+  81   6.82 +/- 1.07   7.030% *  0.0091% (0.09   1.0  1.00   0.02   1.24) =   0.001%
        T HG2   PRO   52 - QB    LYS+  81  16.70 +/- 3.69   0.513% *  0.1138% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HB3   PRO   52  13.25 +/- 2.85   2.289% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.82 +/- 3.19   0.313% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  12.76 +/- 3.29   1.742% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  28.74 +/- 4.42   0.081% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  18.59 +/- 7.11   0.608% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  21.74 +/- 3.42   0.228% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  17.55 +/- 2.53   0.410% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  33.70 +/- 4.21   0.042% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  28.01 +/- 3.89   0.076% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.99, support = 6.09, residual support = 219.1:
    * O T HG3   PRO   52 - HB3   PRO   52   2.59 +/- 0.26  69.434% * 92.5664% (1.00  10.0 10.00   6.17 222.54) =  98.453%  kept
        T HB2   PRO   93 - HB3   PRO   52   9.90 +/- 4.39  15.642% *  6.0138% (0.31   1.0 10.00   0.42   0.02) =   1.441%  kept
        T HG2   PRO   58 - HB3   PRO   52  11.67 +/- 2.68   7.367% *  0.9257% (1.00   1.0 10.00   0.02   0.02) =   0.104%  kept
        T HG3   PRO   52 - QB    LYS+  81  17.41 +/- 3.82   0.370% *  0.1062% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - QB    LYS+  81  21.85 +/- 3.01   0.167% *  0.1062% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  36.72 +/- 7.80   0.151% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  23.76 +/- 6.26   0.275% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.98 +/- 5.39   0.102% *  0.0917% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  13.42 +/- 7.10   4.966% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.11 +/- 4.10   0.169% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.40 +/- 2.11   0.710% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.12 +/- 3.29   0.109% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  26.28 +/- 5.03   0.102% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  31.34 +/- 6.21   0.077% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  20.83 +/- 5.18   0.240% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.10 +/- 3.63   0.118% *  0.0040% (0.04   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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 6.65, residual support = 221.8:
    * O T HD2   PRO   52 - HB3   PRO   52   3.94 +/- 0.09  42.180% * 97.2472% (1.00  10.0 10.00   6.66 222.54) =  99.631%  kept
          HB2   SER   82 - QB    LYS+  81   5.39 +/- 0.69  18.993% *  0.7478% (0.04   1.0  1.00   3.93  13.18) =   0.345%  kept
          HA    SER   48 - HB3   PRO   52  10.86 +/- 1.55   2.474% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - HB3   PRO   52  30.02 +/- 4.13   0.171% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - QB    LYS+  81  16.66 +/- 3.97   1.024% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   85 - QB    LYS+  81   5.41 +/- 0.65  17.967% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HB3   PRO   52  18.47 +/- 4.22   1.474% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   PRO   52  19.87 +/- 4.60   0.677% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   PRO   52  16.72 +/- 4.49   2.249% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   9.12 +/- 1.19   3.800% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QB    LYS+  81  13.54 +/- 4.91   4.802% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  29.15 +/- 3.52   0.140% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  23.65 +/- 5.36   0.319% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  19.67 +/- 3.28   0.501% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB3   PRO   52  30.80 +/- 3.74   0.124% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  21.53 +/- 6.08   0.516% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  27.08 +/- 4.27   0.203% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  21.87 +/- 3.20   0.354% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  23.20 +/- 3.19   0.252% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  18.36 +/- 3.90   0.680% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  24.90 +/- 4.60   0.233% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  20.09 +/- 4.97   0.422% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.66 +/- 4.93   0.209% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  24.93 +/- 3.50   0.237% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.48 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.5:
    * O T HA    PRO   52 - HG2   PRO   52   3.96 +/- 0.03  74.292% * 99.8323% (1.00  10.0 10.00   5.98 222.54) =  99.985%  kept
          HA    LYS+ 111 - HG2   PRO   52  11.82 +/- 4.98   8.754% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   91 - HG2   PRO   52  11.92 +/- 5.31  14.646% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HA    VAL  107 - HG2   PRO   52  15.69 +/- 3.66   1.750% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.62 +/- 3.26   0.558% *  0.0525% (0.53   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 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 222.5:
    * O T HB2   PRO   52 - HG2   PRO   52   2.66 +/- 0.32  81.463% * 99.5699% (1.00  10.0 10.00   6.17 222.54) =  99.986%  kept
          HB2   ASP-  62 - HG2   PRO   52  13.66 +/- 4.73  18.192% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.013%
        T HG2   MET   96 - HG2   PRO   52  18.69 +/- 3.01   0.346% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 222.5:
    * O T HB3   PRO   52 - HG2   PRO   52   2.59 +/- 0.32  64.845% * 99.2796% (1.00  10.0 10.00   6.20 222.54) =  99.974%  kept
          QB    LYS+  66 - HG2   PRO   52  15.66 +/- 4.73  12.443% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          HG2   PRO   93 - HG2   PRO   52   8.81 +/- 4.97  15.427% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU  123 - HG2   PRO   52  17.18 +/- 5.47   2.471% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HG2   PRO   52   8.20 +/- 0.98   2.328% *  0.0373% (0.38   1.0  1.00   0.02   1.85) =   0.001%
        T QB    LYS+  81 - HG2   PRO   52  16.70 +/- 3.69   0.480% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG2   PRO   52  15.18 +/- 4.89   0.872% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.98 +/- 3.55   0.210% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  21.97 +/- 6.62   0.322% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.29 +/- 3.75   0.139% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.10 +/- 3.00   0.169% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.45 +/- 3.36   0.111% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  25.49 +/- 3.17   0.090% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.87 +/- 3.31   0.092% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 222.5:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  94.965% * 98.7160% (1.00  10.0 10.00   5.97 222.54) =  99.989%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.48 +/- 2.54   0.960% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.010%
          HB2   PRO   93 - HG2   PRO   52   8.80 +/- 4.38   3.582% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HG2   PRO   52  23.02 +/- 6.60   0.283% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  29.03 +/- 5.40   0.042% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  35.72 +/- 7.50   0.040% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.72 +/- 4.21   0.078% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.20 +/- 3.53   0.049% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 222.5:
    * O T HD2   PRO   52 - HG2   PRO   52   2.36 +/- 0.17  93.912% * 99.4673% (1.00  10.0 10.00   6.46 222.54) =  99.996%  kept
          HA    SER   48 - HG2   PRO   52   9.10 +/- 1.19   2.132% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HG2   PRO   52  17.49 +/- 4.55   1.271% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   PRO   52  18.27 +/- 4.45   0.387% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  17.48 +/- 4.59   1.200% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  18.08 +/- 3.38   0.314% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.03 +/- 4.35   0.112% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  20.89 +/- 3.66   0.225% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  26.29 +/- 4.66   0.121% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  21.37 +/- 3.39   0.161% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.03 +/- 3.86   0.090% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  29.84 +/- 3.84   0.075% *  0.0153% (0.15   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 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.94, residual support = 222.3:
    * O T HA    PRO   52 - HG3   PRO   52   3.89 +/- 0.03  68.229% * 98.8988% (1.00  10.0 10.00   5.95 222.54) =  99.896%  kept
        T HA    PRO   52 - HG2   PRO   58  11.19 +/- 2.02   7.638% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.091%
          HA    LYS+ 111 - HG3   PRO   52  12.57 +/- 5.46   6.065% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - HG3   PRO   52  12.63 +/- 5.71  10.239% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+ 111 - HG2   PRO   58  13.64 +/- 2.06   1.963% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  107 - HG2   PRO   58  14.68 +/- 4.40   2.757% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG3   PRO   52  16.63 +/- 4.03   1.361% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  23.64 +/- 3.67   0.465% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  21.15 +/- 2.97   0.561% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  19.44 +/- 3.25   0.724% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.16 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 222.5:
    * O T HB2   PRO   52 - HG3   PRO   52   2.54 +/- 0.26  84.656% * 98.4337% (1.00  10.0 10.00   6.15 222.54) =  99.971%  kept
        T HB2   PRO   52 - HG2   PRO   58  11.79 +/- 2.37   1.965% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.019%
          HB2   ASP-  62 - HG2   PRO   58   7.26 +/- 1.58   7.344% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  62 - HG3   PRO   52  14.91 +/- 5.12   5.380% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   MET   96 - HG2   PRO   58  18.26 +/- 3.82   0.417% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG3   PRO   52  19.74 +/- 3.21   0.238% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 6.17, residual support = 222.3:
    * O T HB3   PRO   52 - HG3   PRO   52   2.59 +/- 0.26  62.353% * 97.4419% (1.00  10.0 10.00   6.17 222.54) =  99.891%  kept
        T HB3   PRO   52 - HG2   PRO   58  11.67 +/- 2.68   4.008% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.052%
        T HG2   PRO   93 - HG3   PRO   52   9.89 +/- 5.24   5.891% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.029%
          QB    LYS+  66 - HG3   PRO   52  16.66 +/- 5.13  11.483% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          HG    LEU  123 - HG2   PRO   58  10.28 +/- 3.23   4.099% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU  123 - HG3   PRO   52  18.06 +/- 5.48   1.719% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   93 - HG2   PRO   58  14.04 +/- 3.40   0.658% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HG3   PRO   52   8.55 +/- 1.08   2.217% *  0.0366% (0.38   1.0  1.00   0.02   1.85) =   0.001%
        T QB    LYS+  81 - HG3   PRO   52  17.41 +/- 3.82   0.340% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  12.34 +/- 2.88   0.945% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.09 +/- 1.44   1.343% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG2   PRO   58  20.82 +/- 4.40   0.430% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.55 +/- 5.71   1.074% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.03 +/- 3.93   0.361% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  21.85 +/- 3.01   0.149% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  15.90 +/- 5.25   0.856% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  23.02 +/- 7.11   0.278% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  19.51 +/- 2.67   0.198% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.32 +/- 3.90   0.127% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.06 +/- 4.59   0.284% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.87 +/- 2.92   0.227% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.06 +/- 3.31   0.168% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.42 +/- 3.56   0.102% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.34 +/- 3.72   0.120% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.64 +/- 2.55   0.130% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.74 +/- 4.28   0.205% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.74 +/- 3.28   0.144% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.73 +/- 3.51   0.090% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.959, support = 5.89, residual support = 219.0:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  67.582% * 86.8129% (1.00  10.0 10.00   5.97 222.54) =  95.349%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  26.313% * 10.8440% (0.12  10.0 10.00   4.28 147.72) =   4.637%  kept
        T HG2   PRO   52 - HG2   PRO   58  12.48 +/- 2.54   0.713% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.008%
          HG2   MET   92 - HG3   PRO   52  10.94 +/- 6.28   4.092% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   PRO   58 - HG3   PRO   52  14.81 +/- 2.92   0.333% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG3   PRO   52  12.77 +/- 3.33   0.313% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.47 +/- 1.55   0.298% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  33.74 +/- 4.87   0.016% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  28.85 +/- 3.13   0.017% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  18.09 +/- 3.39   0.091% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  20.23 +/- 3.67   0.098% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  18.04 +/- 3.41   0.081% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.33 +/- 4.83   0.023% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  27.44 +/- 5.09   0.029% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 222.5:
    * O T HD2   PRO   52 - HG3   PRO   52   2.81 +/- 0.17  83.448% * 96.1754% (1.00  10.0 10.00   6.46 222.54) =  99.966%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.70 +/- 2.39   2.213% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.021%
        T HA    GLN   32 - HG3   PRO   52  29.97 +/- 4.99   0.232% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   48 - HG3   PRO   52   9.93 +/- 1.33   2.121% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HG3   PRO   52  18.69 +/- 5.03   2.037% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   PRO   58  26.04 +/- 3.03   0.122% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   PRO   52  18.98 +/- 4.77   0.612% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  14.85 +/- 2.64   0.955% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.52 +/- 2.26   1.091% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   PRO   58  10.91 +/- 3.04   2.991% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HG3   PRO   52  28.96 +/- 4.39   0.151% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  25.99 +/- 3.04   0.122% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  18.41 +/- 4.64   1.168% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  18.71 +/- 3.61   0.457% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  30.78 +/- 4.52   0.134% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  26.40 +/- 2.76   0.110% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.72 +/- 3.02   0.162% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  27.21 +/- 5.05   0.217% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  17.74 +/- 2.79   0.467% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  21.94 +/- 3.64   0.261% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  21.95 +/- 3.77   0.334% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  22.22 +/- 3.47   0.223% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.13 +/- 2.43   0.181% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.72 +/- 3.68   0.190% *  0.0266% (0.28   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 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 = 0.997, support = 2.96, residual support = 44.2:
    * O T HB2   CYS   53 - HA    CYS   53   2.80 +/- 0.22  74.758% * 89.5569% (1.00  10.0 10.00   2.96  44.07) =  98.929%  kept
          HD3   PRO   52 - HA    CYS   53   6.20 +/- 0.08   7.105% * 10.0733% (0.69   1.0  1.00   3.27  54.77) =   1.058%  kept
          HD2   PRO   58 - HA    CYS   53   6.66 +/- 1.98  17.388% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.012%
        T HB3   SER   82 - HA    CYS   53  21.69 +/- 3.42   0.215% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    CYS   53  23.85 +/- 2.43   0.153% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  19.85 +/- 2.72   0.255% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.53 +/- 3.92   0.126% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.33, residual support = 43.3:
    * O T HB3   CYS   53 - HA    CYS   53   2.61 +/- 0.26  54.275% * 78.9933% (1.00  10.0 10.00   3.36  44.07) =  97.359%  kept
          QB    PHE   55 - HA    CYS   53   4.38 +/- 0.54  14.329% *  4.0673% (0.87   1.0  1.00   1.19   0.02) =   1.323%  kept
          HD2   ARG+  54 - HA    CYS   53   7.47 +/- 0.89   2.979% * 16.1429% (0.99   1.0  1.00   4.12  31.64) =   1.092%  kept
          HD3   PRO   93 - HA    CYS   53   9.62 +/- 4.63  13.635% *  0.6757% (0.95   1.0  1.00   0.18   0.02) =   0.209%  kept
          HB2   PHE   59 - HA    CYS   53   6.99 +/- 2.24  14.394% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.016%
          HD3   PRO   68 - HA    CYS   53  17.70 +/- 4.49   0.388% *  0.0729% (0.92   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HA    CYS   53 - HB2   CYS   53   2.80 +/- 0.22  97.903% * 98.9901% (1.00  10.0 10.00   2.96  44.07) =  99.997%  kept
        T HA    GLU-  25 - HB2   CYS   53  23.74 +/- 3.77   0.295% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   82 - HB2   CYS   53  20.50 +/- 3.86   0.367% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  18.92 +/- 2.96   0.518% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  15.61 +/- 1.50   0.657% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  23.69 +/- 3.57   0.260% *  0.0482% (0.49   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 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 43.9:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  91.054% * 79.2958% (1.00  10.0 10.00   3.43  44.07) =  99.168%  kept
          HD2   ARG+  54 - HB2   CYS   53   7.24 +/- 1.39   3.096% * 17.3492% (0.99   1.0  1.00   4.41  31.64) =   0.738%  kept
          QB    PHE   55 - HB2   CYS   53   6.21 +/- 0.30   2.097% *  3.1587% (0.87   1.0  1.00   0.92   0.02) =   0.091%
          HD3   PRO   93 - HB2   CYS   53  10.14 +/- 4.31   1.818% *  0.0750% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53   8.61 +/- 2.15   1.637% *  0.0481% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB2   CYS   53  17.28 +/- 5.26   0.299% *  0.0732% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.36, residual support = 44.1:
    * O T HA    CYS   53 - HB3   CYS   53   2.61 +/- 0.26  98.215% * 99.7562% (1.00  10.0 10.00   3.36  44.07) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  18.93 +/- 2.88   0.396% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.67 +/- 3.71   0.188% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.10 +/- 1.48   0.589% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  23.64 +/- 3.43   0.192% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  20.24 +/- 3.93   0.420% *  0.0175% (0.18   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 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 44.1:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  94.794% * 86.8305% (1.00  10.0 10.00   3.43  44.07) =  99.618%  kept
          HD3   PRO   52 - HB3   CYS   53   6.21 +/- 0.72   2.427% * 12.9657% (0.69   1.0  1.00   4.35  54.77) =   0.381%  kept
          HD2   PRO   58 - HB3   CYS   53   8.00 +/- 1.95   2.461% *  0.0457% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB3   CYS   53  18.93 +/- 3.26   0.109% *  0.0389% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.23 +/- 2.49   0.049% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.18 +/- 4.11   0.060% *  0.0357% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.58 +/- 4.13   0.101% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.73, residual support = 169.5:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.79 +/- 0.18  74.655% * 98.6035% (1.00  10.0 10.00   5.73 169.52) =  99.984%  kept
          HB    ILE  119 - HA    LEU  115   6.24 +/- 1.05   8.811% *  0.0263% (0.27   1.0  1.00   0.02   9.47) =   0.003%
          HB    ILE  119 - HA    ARG+  54  12.57 +/- 2.78   2.427% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   ARG+  54 - HA    LEU  115  14.88 +/- 1.23   0.544% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HA    LEU  115   9.07 +/- 2.65   6.163% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HA    ARG+  54  11.91 +/- 3.20   1.737% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HA    ARG+  54  33.93 +/- 7.97   0.576% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115  10.08 +/- 3.22   2.575% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  19.22 +/- 2.62   0.258% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  27.26 +/- 5.84   0.161% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.30 +/- 3.08   0.194% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.06 +/- 3.26   0.222% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  20.10 +/- 5.33   0.559% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  29.50 +/- 4.43   0.117% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  22.14 +/- 2.67   0.200% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  27.99 +/- 3.46   0.090% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.70 +/- 2.87   0.191% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  23.95 +/- 2.99   0.134% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  35.27 +/- 5.11   0.053% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.76 +/- 3.65   0.333% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.11 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.994, support = 5.64, residual support = 168.0:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.84 +/- 0.64  60.741% * 86.9686% (1.00  10.0 10.00   5.69 169.52) =  99.067%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.59 +/- 0.39   4.464% *  8.8188% (0.38   1.0 10.00   0.54   1.85) =   0.738%  kept
          HB    ILE   56 - HA    ARG+  54   6.45 +/- 0.64   7.474% *  1.0713% (0.41   1.0  1.00   0.60   0.02) =   0.150%  kept
        T HG3   PRO   68 - HA    ARG+  54  19.59 +/- 5.38   1.138% *  0.8620% (0.99   1.0 10.00   0.02   0.02) =   0.018%
          HG    LEU  123 - HA    ARG+  54  15.06 +/- 4.66   7.802% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HA    ARG+  54  19.90 +/- 4.29   0.288% *  0.7544% (0.87   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   ARG+  54 - HA    LEU  115  14.73 +/- 1.82   0.779% *  0.2676% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   52 - HA    LEU  115  12.32 +/- 2.72   1.984% *  0.1004% (0.12   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HA    LEU  115  18.76 +/- 3.83   0.416% *  0.2652% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    LEU  115  10.08 +/- 3.50   2.983% *  0.0224% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  115  11.78 +/- 4.60   2.283% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    LEU  115  19.81 +/- 2.45   0.218% *  0.2321% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   8.70 +/- 1.47   3.860% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  18.02 +/- 2.47   0.442% *  0.0726% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  20.46 +/- 3.38   0.288% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  20.18 +/- 3.76   0.304% *  0.0803% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.84 +/- 1.20   1.653% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  17.21 +/- 4.06   0.507% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.62 +/- 2.84   0.148% *  0.0839% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.98 +/- 2.78   0.135% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.17 +/- 3.30   0.422% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  23.40 +/- 2.74   0.211% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  27.99 +/- 4.51   0.141% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  16.65 +/- 3.76   0.581% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.96 +/- 3.12   0.197% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.62 +/- 2.70   0.164% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.92 +/- 2.75   0.150% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.86 +/- 2.59   0.230% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.17 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 5.38, residual support = 142.2:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.16 +/- 0.50  33.209% * 72.3864% (1.00 10.00   5.65 169.52) =  81.682%  kept
          HB3   CYS   53 - HA    ARG+  54   4.96 +/- 0.54  21.174% * 14.8598% (0.99  1.00   4.14  31.64) =  10.691%  kept
          QB    PHE   55 - HA    ARG+  54   5.07 +/- 0.12  18.213% * 12.2743% (0.80  1.00   4.24   4.32) =   7.596%  kept
          HB2   PHE   59 - HA    ARG+  54   8.38 +/- 1.74   6.495% *  0.0381% (0.53  1.00   0.02   0.02) =   0.008%
          HD3   PRO   93 - HA    ARG+  54  13.29 +/- 4.22   3.071% *  0.0649% (0.90  1.00   0.02   0.02) =   0.007%
        T HD2   ARG+  54 - HA    LEU  115  15.92 +/- 1.54   0.658% *  0.2227% (0.31 10.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    LEU  115   7.52 +/- 0.98   6.736% *  0.0117% (0.16  1.00   0.02  29.78) =   0.003%
          QB    PHE   55 - HA    LEU  115   9.98 +/- 1.99   3.901% *  0.0178% (0.25  1.00   0.02   5.13) =   0.002%
          HD3   PRO   93 - HA    LEU  115  11.08 +/- 2.57   3.023% *  0.0200% (0.28  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    ARG+  54  18.36 +/- 4.35   0.864% *  0.0628% (0.87  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HA    LEU  115  11.86 +/- 1.63   2.005% *  0.0221% (0.30  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    LEU  115  17.57 +/- 3.34   0.651% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 5.73, residual support = 169.5:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.79 +/- 0.18  81.203% * 98.5625% (1.00  10.0 10.00   5.73 169.52) =  99.992%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.88 +/- 1.23   0.593% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ARG+  54 - HG2   MET   11  33.93 +/- 7.97   0.622% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ARG+  54  22.47 +/- 5.22   0.525% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HB2   GLU-  14  17.05 +/- 3.45   2.946% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  27.26 +/- 5.84   0.175% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.65 +/- 6.80   5.916% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  21.36 +/- 4.29   0.368% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.22 +/- 4.01   0.154% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  15.03 +/- 3.31   1.249% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  27.99 +/- 3.46   0.097% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  12.91 +/- 2.49   1.314% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  18.75 +/- 6.33   1.651% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.53 +/- 1.26   0.361% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  27.21 +/- 3.48   0.113% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  22.30 +/- 5.60   0.795% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  18.74 +/- 4.83   0.775% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  32.86 +/- 4.16   0.064% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  35.27 +/- 5.11   0.057% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  29.23 +/- 6.23   0.167% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  31.26 +/- 3.40   0.078% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.13 +/- 7.68   0.427% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  28.39 +/- 5.25   0.100% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  35.41 +/- 8.02   0.074% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  34.47 +/- 6.47   0.061% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.47 +/- 4.09   0.069% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.56 +/- 5.82   0.044% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.97, residual support = 159.5:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.80 +/- 0.60  62.167% * 74.0479% (1.00  10.0 10.00   5.06 169.52) =  93.328%  kept
          HB3   CYS   53 - HB2   ARG+  54   5.90 +/- 0.83  13.418% * 13.6578% (0.99   1.0  1.00   3.72  31.64) =   3.715%  kept
          QB    PHE   55 - HB2   ARG+  54   4.85 +/- 0.59  13.816% * 10.4082% (0.80   1.0  1.00   3.51   4.32) =   2.915%  kept
        T HD3   PRO   93 - HB2   ARG+  54  13.76 +/- 4.62   1.683% *  0.6641% (0.90   1.0 10.00   0.02   0.02) =   0.023%
        T HD3   PRO   68 - HB2   ARG+  54  19.93 +/- 5.16   0.810% *  0.6423% (0.87   1.0 10.00   0.02   0.02) =   0.011%
        T HD2   ARG+  54 - HG2   MET   11  35.75 +/- 9.69   3.145% *  0.0716% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HB2   ARG+  54  10.45 +/- 1.73   2.039% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB2   GLU-  14  17.57 +/- 3.98   0.510% *  0.0945% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   GLU-  14  29.34 +/- 7.15   0.268% *  0.1089% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HG2   MET   11  23.93 +/- 3.85   0.150% *  0.0621% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  29.13 +/- 3.38   0.078% *  0.0977% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.31 +/- 6.75   0.562% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  36.09 +/- 4.49   0.046% *  0.0642% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  33.11 +/- 7.07   0.408% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  26.21 +/- 4.92   0.164% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  26.33 +/- 4.62   0.190% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  24.19 +/- 4.10   0.271% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  31.29 +/- 5.55   0.274% *  0.0038% (0.05   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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 169.5:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.16 +/- 0.50  89.970% * 99.0328% (1.00 10.00   5.65 169.52) =  99.981%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.92 +/- 1.54   1.913% *  0.6007% (0.61 10.00   0.02   0.02) =   0.013%
          HA    ALA  124 - HD2   ARG+  54  23.17 +/- 5.39   4.322% *  0.0971% (0.98  1.00   0.02   0.02) =   0.005%
          HA    LYS+  81 - HD2   ARG+  54  22.89 +/- 5.03   1.177% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HD2   ARG+  54  27.50 +/- 4.50   0.463% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.43 +/- 1.68   1.263% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  28.17 +/- 3.64   0.370% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  33.69 +/- 4.27   0.225% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.21 +/- 3.43   0.297% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 169.5:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.80 +/- 0.60  90.434% * 97.9068% (1.00  10.0 10.00   5.06 169.52) =  99.974%  kept
        T HB2   PRO   93 - HD2   ARG+  54  14.54 +/- 3.51   1.281% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   MET   11 - HD2   ARG+  54  35.75 +/- 9.69   4.915% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   GLN   30 - HD2   ARG+  54  25.66 +/- 4.18   0.261% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD2   ARG+  54  15.40 +/- 2.48   1.198% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD2   ARG+  54  29.34 +/- 7.15   0.418% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD2   ARG+  54  21.49 +/- 2.95   0.326% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  26.03 +/- 3.91   0.201% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  22.34 +/- 6.22   0.770% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  32.02 +/- 4.82   0.195% *  0.0784% (0.80   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 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 4.87, residual support = 168.6:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.80 +/- 0.26  86.219% * 88.8020% (1.00  10.0 10.00   4.90 169.52) =  99.440%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.20 +/- 1.13   4.598% *  9.0047% (0.38   1.0 10.00   0.54   1.85) =   0.538%  kept
        T HG3   PRO   68 - HD2   ARG+  54  21.91 +/- 6.12   0.919% *  0.8802% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T QB    LYS+  81 - HD2   ARG+  54  21.57 +/- 4.96   0.811% *  0.7703% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU  123 - HD2   ARG+  54  17.65 +/- 4.62   3.424% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD2   ARG+  54   9.31 +/- 0.84   2.662% *  0.0365% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   ARG+  54  22.16 +/- 4.46   0.327% *  0.0820% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  20.30 +/- 2.11   0.270% *  0.0742% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.13 +/- 3.00   0.184% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.86 +/- 3.54   0.120% *  0.0857% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  27.52 +/- 2.58   0.099% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.64 +/- 4.08   0.172% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  30.54 +/- 4.86   0.079% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  26.25 +/- 2.50   0.116% *  0.0156% (0.18   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 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 3.76, residual support = 20.6:
    * O T QB    PHE   55 - HA    PHE   55   2.42 +/- 0.12  79.026% * 87.4590% (1.00  10.0 10.00   3.76  21.00) =  97.900%  kept
          HD2   ARG+  54 - HA    PHE   55   5.44 +/- 1.14  12.391% * 11.9151% (0.80   1.0  1.00   3.40   4.32) =   2.091%  kept
          HB3   CYS   53 - HA    PHE   55   7.92 +/- 0.34   2.375% *  0.0759% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HA    PHE   55   8.47 +/- 0.94   2.173% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   55  14.16 +/- 4.63   1.268% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QB    PHE   55 - HA    VAL   42  17.65 +/- 2.52   0.369% *  0.2058% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   55  20.44 +/- 3.61   0.199% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.38 +/- 2.19   0.828% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  14.06 +/- 3.16   0.613% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.95 +/- 1.26   0.298% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.37 +/- 2.30   0.335% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.81 +/- 2.02   0.126% *  0.0165% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 21.0:
    * O T HA    PHE   55 - QB    PHE   55   2.42 +/- 0.12  91.275% * 98.8866% (1.00  10.0 10.00   3.76  21.00) =  99.958%  kept
          HA    ALA  110 - QB    PHE   55  11.43 +/- 5.35   7.506% *  0.4600% (0.87   1.0  1.00   0.11   0.02) =   0.038%
        T HA    VAL   42 - QB    PHE   55  17.65 +/- 2.52   0.423% *  0.5599% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   90 - QB    PHE   55  16.73 +/- 3.64   0.796% *  0.0935% (0.95   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 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 = 0.994, support = 4.38, residual support = 123.8:
    * O T HB    ILE   56 - HA    ILE   56   2.56 +/- 0.16  86.279% * 84.9649% (1.00  10.0 10.00   4.43 125.29) =  98.796%  kept
        T HB3   PRO   58 - HA    ILE   56   6.61 +/- 0.98   6.158% * 14.4602% (0.49   1.0 10.00   0.70   0.02) =   1.200%  kept
          HG2   ARG+  54 - HA    ILE   56   7.42 +/- 0.80   4.112% *  0.0349% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    ILE   56  15.57 +/- 4.16   0.736% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ILE   56  20.41 +/- 4.15   0.667% *  0.0550% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  16.20 +/- 3.53   0.488% *  0.0649% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  21.02 +/- 3.46   0.253% *  0.0617% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  17.99 +/- 4.40   0.400% *  0.0381% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.54 +/- 2.42   0.151% *  0.0710% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.06 +/- 4.01   0.365% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.61 +/- 3.98   0.114% *  0.0820% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.06 +/- 2.50   0.121% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  23.19 +/- 3.38   0.154% *  0.0319% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 125.3:
    * O   QG2   ILE   56 - HA    ILE   56   2.67 +/- 0.43  81.564% * 98.4757% (1.00  10.0  1.00   4.74 125.29) =  99.983%  kept
          QB    ALA   91 - HA    ILE   56  14.76 +/- 4.00  15.632% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.014%
        T HG3   LYS+  38 - HA    ILE   56  27.76 +/- 3.96   0.109% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  24.61 +/- 3.80   0.227% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ILE   56  19.88 +/- 5.20   0.478% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.61 +/- 2.04   0.322% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.85 +/- 2.37   0.320% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  16.37 +/- 3.59   0.657% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  21.00 +/- 2.75   0.238% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  21.15 +/- 2.85   0.453% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 125.3:
    * O T QG1   ILE   56 - HA    ILE   56   3.00 +/- 0.53  95.216% * 97.9351% (1.00  10.0 10.00   3.86 125.29) =  99.989%  kept
        T QD    LYS+ 106 - HA    ILE   56  17.58 +/- 4.09   0.994% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+  99 - HA    ILE   56  23.40 +/- 4.15   0.301% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HA    ILE   56  21.41 +/- 3.53   0.387% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   89 - HA    ILE   56  18.97 +/- 3.42   0.936% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    ILE   56  14.60 +/- 3.86   1.420% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  18.75 +/- 2.92   0.747% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.14 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 125.1:
    * O T HA    ILE   56 - HB    ILE   56   2.56 +/- 0.16  89.468% * 96.4453% (1.00  10.0 10.00   4.43 125.29) =  99.813%  kept
        T HA    PRO   58 - HB    ILE   56   6.85 +/- 1.32   6.535% *  2.2718% (0.28   1.0 10.00   0.17   0.02) =   0.172%  kept
        T HA    LEU  123 - HB    ILE   56  13.26 +/- 3.06   1.257% *  0.9454% (0.98   1.0 10.00   0.02   0.02) =   0.014%
          HA    ASP- 113 - HB    ILE   56  10.33 +/- 1.47   1.855% *  0.0624% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB    ILE   56  22.47 +/- 3.91   0.177% *  0.0912% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.56 +/- 4.17   0.325% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.32 +/- 3.92   0.118% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.84 +/- 4.24   0.134% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  24.35 +/- 3.08   0.131% *  0.0240% (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 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 = 5.59, residual support = 125.3:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.01  95.465% * 98.4757% (1.00  10.0 10.00   5.59 125.29) =  99.996%  kept
          QB    ALA   91 - HB    ILE   56  14.21 +/- 3.93   3.077% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - HB    ILE   56  26.92 +/- 4.43   0.066% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   56  23.77 +/- 3.96   0.088% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.47 +/- 4.68   0.281% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.89 +/- 2.53   0.164% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.18 +/- 2.77   0.159% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  15.73 +/- 3.34   0.398% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.40 +/- 2.67   0.129% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.49 +/- 2.91   0.174% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 125.3:
    * O T QG1   ILE   56 - HB    ILE   56   2.26 +/- 0.13  97.434% * 98.7886% (1.00  10.0 10.00   4.61 125.29) =  99.996%  kept
        T QD    LYS+ 106 - HB    ILE   56  16.61 +/- 4.57   0.514% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HB    ILE   56  20.69 +/- 3.71   0.171% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  13.83 +/- 4.12   1.089% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  18.20 +/- 3.35   0.329% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  22.53 +/- 4.47   0.146% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  18.03 +/- 3.24   0.317% *  0.0305% (0.31   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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 125.3:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.01  88.736% * 98.4311% (1.00  10.0 10.00   5.59 125.29) =  99.992%  kept
          HB3   PRO   58 - QG2   ILE   56   6.73 +/- 0.68   3.022% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG2   ILE   56   6.97 +/- 1.20   3.461% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   ILE   56  11.82 +/- 3.71   1.920% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QG2   ILE   56  21.91 +/- 3.76   0.128% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  12.69 +/- 3.45   0.634% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG2   ILE   56  15.98 +/- 3.35   0.363% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.76 +/- 3.69   0.651% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  14.51 +/- 3.85   0.396% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  16.69 +/- 2.54   0.239% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.20 +/- 2.10   0.162% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.67 +/- 2.18   0.126% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  18.62 +/- 3.39   0.164% *  0.0369% (0.38   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 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 125.3:
    * O T QG1   ILE   56 - QG2   ILE   56   2.27 +/- 0.20  95.139% * 98.7886% (1.00  10.0 10.00   4.84 125.29) =  99.993%  kept
        T QD    LYS+ 106 - QG2   ILE   56  13.84 +/- 3.88   0.834% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QG2   ILE   56  17.59 +/- 2.97   0.265% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QG2   ILE   56  10.97 +/- 3.53   2.496% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  14.89 +/- 3.03   0.472% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  19.14 +/- 3.64   0.221% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  15.04 +/- 2.38   0.573% *  0.0305% (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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.85, residual support = 124.6:
    * O T HA    ILE   56 - QG1   ILE   56   3.00 +/- 0.53  74.820% * 95.8719% (1.00  10.0 10.00   3.86 125.29) =  99.459%  kept
          HA    PRO   58 - QG1   ILE   56   5.87 +/- 0.77  15.018% *  2.3242% (0.28   1.0  1.00   1.74   0.02) =   0.484%  kept
        T HA    ASP- 113 - QG1   ILE   56   9.12 +/- 1.59   5.491% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.047%
        T HA    LYS+  99 - QG1   ILE   56  19.10 +/- 3.43   0.442% *  0.9069% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HA    LEU  123 - QG1   ILE   56  11.59 +/- 2.19   2.629% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - QG1   ILE   56  17.41 +/- 3.57   0.650% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.62 +/- 3.11   0.249% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.90 +/- 3.37   0.359% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.89 +/- 2.40   0.343% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.6, residual support = 124.9:
    * O T HB    ILE   56 - QG1   ILE   56   2.26 +/- 0.13  88.009% * 93.5583% (1.00  10.0 10.00   4.61 125.29) =  99.708%  kept
          HB3   PRO   58 - QG1   ILE   56   6.48 +/- 0.77   4.505% *  5.1651% (0.49   1.0  1.00   2.27   0.02) =   0.282%  kept
        T QB    LYS+ 106 - QG1   ILE   56  12.82 +/- 3.49   0.767% *  0.7150% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - QG1   ILE   56   7.44 +/- 1.54   3.258% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG1   ILE   56  12.52 +/- 3.62   0.972% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG1   ILE   56  16.97 +/- 2.78   0.365% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  14.45 +/- 4.12   0.524% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.39 +/- 3.71   0.682% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.50 +/- 2.29   0.260% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.51 +/- 2.19   0.188% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.15 +/- 3.66   0.131% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.11 +/- 2.36   0.143% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  18.88 +/- 3.45   0.197% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 125.3:
    * O T QG2   ILE   56 - QG1   ILE   56   2.27 +/- 0.20  94.429% * 98.4757% (1.00  10.0 10.00   4.84 125.29) =  99.995%  kept
          QB    ALA   91 - QG1   ILE   56  12.20 +/- 3.11   2.213% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - QG1   ILE   56  23.15 +/- 3.67   0.131% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QG1   ILE   56  16.73 +/- 4.02   0.665% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  20.35 +/- 3.42   0.170% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.06 +/- 2.10   0.339% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.30 +/- 2.48   0.328% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  12.91 +/- 2.82   1.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  17.33 +/- 2.13   0.271% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.22 +/- 2.84   0.455% *  0.0172% (0.18   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 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 = 0.925, support = 6.53, residual support = 143.1:
    * O T HA    PRO   58 - HD2   PRO   58   3.89 +/- 0.09  35.895% * 97.5456% (0.95  10.0 10.00   6.69 147.72) =  96.900%  kept
          HA    ILE   56 - HD2   PRO   58   3.34 +/- 0.96  57.945% *  1.9278% (0.26   1.0  1.00   1.42   0.02) =   3.091%  kept
          HA    THR   46 - HD2   PRO   58  11.98 +/- 2.76   2.006% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HD2   PRO   58  13.20 +/- 3.08   1.938% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HD2   PRO   58  20.13 +/- 3.48   0.433% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  27.60 +/- 5.11   0.333% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   58  18.85 +/- 3.59   0.454% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  23.23 +/- 3.54   0.229% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HD2   PRO   58  26.36 +/- 3.34   0.164% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  21.92 +/- 3.92   0.425% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  25.64 +/- 3.59   0.177% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 147.7:
    * O T HB2   PRO   58 - HD2   PRO   58   3.87 +/- 0.20  82.054% * 99.3830% (0.95  10.0 10.00   6.92 147.72) =  99.989%  kept
          HB2   GLN  116 - HD2   PRO   58  10.34 +/- 1.89   5.757% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   97 - HD2   PRO   58  17.16 +/- 4.55   4.361% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU- 100 - HD2   PRO   58  26.52 +/- 3.76   0.358% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   52 - HD2   PRO   58  10.90 +/- 2.12   7.083% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  27.00 +/- 5.23   0.387% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.7, residual support = 139.5:
    * O T HB3   PRO   58 - HD2   PRO   58   3.92 +/- 0.23  43.184% * 92.3072% (0.79  10.0 10.00   7.03 147.72) =  94.419%  kept
          HB    ILE   56 - HD2   PRO   58   3.93 +/- 1.80  44.878% *  5.2313% (0.79   1.0  1.00   1.13   0.02) =   5.561%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.08 +/- 2.82   0.306% *  1.1051% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   LYS+  38 - HD2   PRO   58  25.06 +/- 4.23   0.182% *  1.0454% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HD2   PRO   58  16.50 +/- 3.50   1.013% *  0.1067% (0.91   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HD2   PRO   58   8.35 +/- 1.20   6.252% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   PRO   58  15.94 +/- 3.57   1.101% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   58  17.28 +/- 4.75   1.235% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD2   PRO   58  21.00 +/- 3.37   0.560% *  0.0415% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   58  20.80 +/- 3.53   0.451% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  32.76 +/- 6.92   0.598% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  22.62 +/- 2.80   0.241% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.09 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 147.7:
    * O T HG2   PRO   58 - HD2   PRO   58   2.57 +/- 0.30  94.113% * 98.7160% (0.95  10.0 10.00   6.60 147.72) =  99.983%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.86 +/- 2.15   1.380% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HG2   MET   11 - HD2   PRO   58  32.54 +/- 7.08   0.901% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HD2   PRO   58  11.96 +/- 3.12   2.191% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   58  25.26 +/- 5.47   0.541% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD2   PRO   58  19.06 +/- 2.94   0.463% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  21.90 +/- 4.55   0.272% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  23.82 +/- 2.55   0.139% *  0.0195% (0.19   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 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 = 6.28, residual support = 147.7:
    * O T HB2   PRO   58 - HA    PRO   58   2.63 +/- 0.19  94.681% * 99.2784% (1.00  10.0 10.00   6.28 147.72) =  99.992%  kept
        T HB2   GLN  116 - HA    PRO   58  12.19 +/- 1.55   1.029% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PHE   97 - HA    PRO   58  16.07 +/- 4.33   2.239% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   52 - HA    PRO   58  13.28 +/- 2.55   1.670% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  24.51 +/- 3.60   0.182% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  25.39 +/- 5.64   0.198% *  0.0276% (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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.21, residual support = 147.6:
    * O T HB3   PRO   58 - HA    PRO   58   2.41 +/- 0.19  90.128% * 98.4544% (0.84  10.0 10.00   6.21 147.72) =  99.938%  kept
        T HB    ILE   56 - HA    PRO   58   6.85 +/- 1.32   5.424% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.060%
          QB    LYS+ 106 - HA    PRO   58  15.75 +/- 3.45   0.904% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  17.71 +/- 3.21   0.356% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  18.80 +/- 3.21   0.284% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  22.35 +/- 4.43   0.205% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    PRO   58  10.88 +/- 0.95   1.195% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.68 +/- 4.52   0.612% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  20.97 +/- 3.51   0.222% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.45 +/- 3.47   0.178% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.30 +/- 3.04   0.218% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  30.31 +/- 6.01   0.276% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.7:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  85.809% * 98.7160% (1.00  10.0 10.00   5.98 147.72) =  99.954%  kept
        T HG3   PRO   52 - HA    PRO   58  14.36 +/- 2.61   3.451% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.040%
          HB2   GLU-  14 - HA    PRO   58  22.53 +/- 5.44   2.123% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HA    PRO   58  13.00 +/- 2.71   3.987% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    PRO   58  30.09 +/- 6.15   1.074% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  16.70 +/- 1.91   1.355% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    PRO   58  20.49 +/- 5.21   1.567% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  21.76 +/- 2.84   0.635% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.7:
    * O T HD2   PRO   58 - HA    PRO   58   3.89 +/- 0.09  89.287% * 98.5403% (0.95  10.0 10.00   6.69 147.72) =  99.985%  kept
        T HA    GLU- 100 - HA    PRO   58  23.60 +/- 3.66   0.683% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.008%
          HB2   CYS   53 - HA    PRO   58   9.92 +/- 1.97   8.148% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HA    PRO   58  21.81 +/- 3.88   0.935% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   83 - HA    PRO   58  22.27 +/- 4.11   0.946% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 147.7:
    * O T HA    PRO   58 - HB2   PRO   58   2.63 +/- 0.19  85.578% * 99.4356% (1.00  10.0 10.00   6.28 147.72) =  99.993%  kept
          HA    ILE   56 - HB2   PRO   58   6.58 +/- 1.03   6.701% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - HB2   PRO   58  13.40 +/- 3.20   2.534% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   PRO   58  12.36 +/- 3.77   2.717% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  18.62 +/- 3.74   0.559% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   PRO   58  17.43 +/- 4.17   0.550% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  26.08 +/- 5.05   0.232% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  21.68 +/- 3.79   0.223% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  24.53 +/- 3.49   0.174% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  20.38 +/- 4.53   0.537% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  23.97 +/- 3.83   0.196% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 147.7:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  95.427% * 98.9371% (0.84  10.0 10.00   4.51 147.72) =  99.996%  kept
          HB    ILE   56 - HB2   PRO   58   6.84 +/- 1.62   2.529% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HB2   PRO   58  21.74 +/- 3.42   0.079% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.74 +/- 4.44   0.571% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  18.34 +/- 3.51   0.120% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  19.97 +/- 2.88   0.083% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.38 +/- 5.84   0.441% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  23.26 +/- 4.44   0.075% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.34 +/- 1.37   0.455% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.01 +/- 3.58   0.061% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  21.30 +/- 2.75   0.067% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.42 +/- 6.18   0.091% *  0.0207% (0.18   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 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 147.7:
    * O T HG2   PRO   58 - HB2   PRO   58   2.47 +/- 0.28  94.808% * 98.7160% (1.00  10.0 10.00   4.28 147.72) =  99.977%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.81 +/- 2.92   2.013% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.021%
          HB2   GLU-  14 - HB2   PRO   58  23.66 +/- 5.59   0.975% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HB2   PRO   58  31.20 +/- 6.32   0.537% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HB2   PRO   58  13.56 +/- 2.87   0.915% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.68 +/- 1.99   0.310% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  21.51 +/- 4.98   0.292% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  22.62 +/- 2.71   0.151% *  0.0195% (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 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 147.7:
    * O T HD2   PRO   58 - HB2   PRO   58   3.87 +/- 0.20  90.680% * 98.5403% (0.95  10.0 10.00   6.92 147.72) =  99.986%  kept
        T HA    GLU- 100 - HB2   PRO   58  24.05 +/- 4.39   0.674% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.008%
          HB2   CYS   53 - HB2   PRO   58  10.75 +/- 2.24   6.975% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HB2   PRO   58  22.77 +/- 3.91   0.752% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  22.93 +/- 3.86   0.918% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.21, residual support = 147.7:
    * O T HA    PRO   58 - HB3   PRO   58   2.41 +/- 0.19  87.529% * 99.1888% (0.84  10.0 10.00   6.21 147.72) =  99.978%  kept
        T HA    ILE   56 - HB3   PRO   58   6.61 +/- 0.98   5.521% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.018%
          HA    THR   46 - HB3   PRO   58  13.76 +/- 3.52   2.677% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB3   PRO   58  12.55 +/- 4.05   2.097% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  17.71 +/- 4.26   0.648% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  18.99 +/- 3.61   0.311% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  26.43 +/- 4.87   0.249% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  22.04 +/- 3.87   0.242% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  20.84 +/- 4.46   0.474% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  24.77 +/- 3.68   0.122% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  24.32 +/- 4.06   0.130% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 147.7:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  95.404% * 99.1367% (0.84  10.0 10.00   4.51 147.72) =  99.982%  kept
        T HB3   PHE   97 - HB3   PRO   58  16.67 +/- 5.14   2.309% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.018%
          HG2   PRO   52 - HB3   PRO   58  13.94 +/- 3.05   1.806% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   PRO   58  11.85 +/- 1.99   0.377% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  25.32 +/- 4.35   0.057% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  26.92 +/- 5.72   0.047% *  0.0276% (0.23   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 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 = 4.22, residual support = 147.7:
    * O T HG2   PRO   58 - HB3   PRO   58   2.79 +/- 0.28  95.306% * 97.0168% (0.84  10.0 10.00   4.22 147.72) =  99.974%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.95 +/- 3.05   1.875% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.020%
        T HB2   GLU-  14 - HB3   PRO   58  24.03 +/- 5.50   0.329% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   MET   11 - HB3   PRO   58  31.54 +/- 6.17   0.182% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HB3   PRO   58  14.12 +/- 2.61   1.077% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.80 +/- 2.12   0.443% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  22.10 +/- 5.24   0.556% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.02 +/- 3.01   0.232% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.35 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.03, residual support = 147.7:
    * O T HD2   PRO   58 - HB3   PRO   58   3.92 +/- 0.23  87.867% * 98.5403% (0.79  10.0 10.00   7.03 147.72) =  99.982%  kept
        T HA    GLU- 100 - HB3   PRO   58  24.51 +/- 4.40   0.885% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.011%
          HB2   CYS   53 - HB3   PRO   58  10.86 +/- 2.51   9.442% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB3   PRO   58  23.06 +/- 4.10   0.836% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   83 - HB3   PRO   58  23.50 +/- 4.35   0.970% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 147.2:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  40.599% * 97.9061% (1.00  10.0 10.00   5.98 147.72) =  99.673%  kept
          HA    ILE   56 - HG2   PRO   58   4.60 +/- 1.26  32.507% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.263%  kept
        T HA    PRO   58 - HG3   PRO   52  14.36 +/- 2.61   1.840% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.037%
          HA    THR   46 - HG3   PRO   52   9.41 +/- 2.58   6.496% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.008%
          HA    LEU  123 - HG2   PRO   58  11.95 +/- 3.29   4.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HA    THR   46 - HG2   PRO   58  13.20 +/- 2.77   2.088% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   PRO   52  19.88 +/- 6.50   3.672% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HG3   PRO   52  24.85 +/- 5.08   0.924% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG3   PRO   52  10.45 +/- 1.19   2.820% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG2   PRO   58  19.86 +/- 3.58   0.585% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  18.91 +/- 3.86   0.595% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG3   PRO   52  23.92 +/- 4.66   0.690% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  27.75 +/- 4.75   0.280% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  23.31 +/- 3.44   0.267% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   52  27.95 +/- 4.63   0.238% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  21.39 +/- 4.50   0.829% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.40 +/- 5.71   0.138% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  26.11 +/- 3.29   0.202% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  30.36 +/- 5.54   0.435% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  31.65 +/- 5.33   0.178% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  25.39 +/- 3.67   0.236% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.17 +/- 4.67   0.380% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 4.69, residual support = 165.9:
    * O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  27.158% * 87.8577% (1.00  10.0 10.00   4.28 147.72) =  75.706%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  69.726% * 10.9746% (0.12  10.0 10.00   5.97 222.54) =  24.279%  kept
        T HB2   PRO   58 - HG3   PRO   52  14.81 +/- 2.92   0.343% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   PRO   52 - HG2   PRO   58  12.48 +/- 2.54   0.735% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   PRO   58  16.57 +/- 5.33   1.139% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - HG2   PRO   58   9.82 +/- 2.13   0.550% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG3   PRO   52  14.74 +/- 2.73   0.169% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.94 +/- 4.19   0.069% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  25.95 +/- 4.32   0.033% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.60 +/- 4.61   0.024% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  27.44 +/- 5.09   0.029% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.33 +/- 4.83   0.024% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 147.2:
    * O T HB3   PRO   58 - HG2   PRO   58   2.79 +/- 0.28  56.434% * 96.3000% (0.84  10.0 10.00   4.22 147.72) =  99.632%  kept
          HB    ILE   56 - HG2   PRO   58   5.03 +/- 1.75  21.610% *  0.8158% (0.84   1.0  1.00   0.17   0.02) =   0.323%  kept
        T HB3   PRO   58 - HG3   PRO   52  14.95 +/- 3.05   1.185% *  0.7796% (0.68   1.0 10.00   0.02   0.02) =   0.017%
          HB2   MET   92 - HG3   PRO   52  10.93 +/- 6.09   9.606% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.016%
        T QB    LYS+  81 - HG3   PRO   52  17.41 +/- 3.82   0.421% *  0.3503% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HG3   PRO   52  10.30 +/- 1.64   1.542% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HG2   PRO   58  21.85 +/- 3.01   0.210% *  0.4327% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HG2   PRO   58  15.75 +/- 4.20   0.887% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  17.63 +/- 3.53   0.321% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.55 +/- 1.08   2.419% *  0.0144% (0.12   1.0  1.00   0.02   1.85) =   0.001%
          HB3   GLN   90 - HG3   PRO   52  15.90 +/- 5.25   0.989% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.09 +/- 1.44   1.404% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.55 +/- 5.71   1.185% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.95 +/- 6.24   0.103% *  0.2019% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  21.30 +/- 2.58   0.155% *  0.1153% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  30.45 +/- 6.02   0.193% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.46 +/- 3.90   0.179% *  0.0933% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  24.68 +/- 4.25   0.140% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  16.97 +/- 3.76   0.365% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  36.83 +/- 7.95   0.054% *  0.1635% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.74 +/- 3.28   0.167% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.64 +/- 2.55   0.123% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.34 +/- 3.72   0.132% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.06 +/- 3.31   0.176% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.24 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.943, support = 6.59, residual support = 147.2:
    * O T HD2   PRO   58 - HG2   PRO   58   2.57 +/- 0.30  87.806% * 92.8809% (0.95  10.0 10.00   6.60 147.72) =  99.491%  kept
          HB2   CYS   53 - HG3   PRO   52   6.41 +/- 0.76   6.837% *  5.9340% (0.28   1.0  1.00   4.38  54.77) =   0.495%  kept
        T HD2   PRO   58 - HG3   PRO   52  11.86 +/- 2.15   1.286% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.012%
          HB2   CYS   53 - HG2   PRO   58   9.85 +/- 2.25   3.102% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG2   PRO   58  23.31 +/- 3.20   0.204% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  20.61 +/- 2.88   0.234% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.18 +/- 4.34   0.137% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.55 +/- 4.76   0.091% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  29.51 +/- 5.53   0.168% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  24.19 +/- 3.72   0.135% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 58.0:
    * O T HB2   PHE   59 - HA    PHE   59   2.88 +/- 0.22  76.294% * 99.6348% (1.00  10.0 10.00   3.26  58.01) =  99.980%  kept
          HB3   CYS   53 - HA    PHE   59   9.81 +/- 2.70  17.359% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.014%
          QB    PHE   55 - HA    PHE   59   9.39 +/- 1.30   2.529% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HA    PHE   59  14.09 +/- 3.45   1.644% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  13.08 +/- 2.42   1.212% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  13.11 +/- 1.84   0.961% *  0.0524% (0.53   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 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 58.0:
    * O T HB3   PHE   59 - HA    PHE   59   2.74 +/- 0.19  99.313% * 99.9552% (1.00  10.0 10.00   3.95  58.01) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  17.34 +/- 3.03   0.687% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 58.0:
    * O T HA    PHE   59 - HB2   PHE   59   2.88 +/- 0.22  96.757% * 99.8386% (1.00  10.0 10.00   3.26  58.01) =  99.998%  kept
          HA    ASP- 113 - HB2   PHE   59  10.53 +/- 0.94   2.255% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - HB2   PHE   59  20.90 +/- 2.71   0.320% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.82 +/- 3.71   0.448% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.75 +/- 3.00   0.221% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 58.0:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.799% * 99.9552% (1.00  10.0 10.00   3.44  58.01) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  16.06 +/- 2.79   0.201% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 58.0:
    * O T HA    PHE   59 - HB3   PHE   59   2.74 +/- 0.19  97.168% * 99.8386% (1.00  10.0 10.00   3.95  58.01) =  99.999%  kept
          HA    ASP- 113 - HB3   PHE   59  10.71 +/- 1.26   1.974% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - HB3   PHE   59  20.47 +/- 2.76   0.287% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.42 +/- 3.78   0.376% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.44 +/- 3.11   0.195% *  0.0154% (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 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.0:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  91.601% * 99.6348% (1.00  10.0 10.00   3.44  58.01) =  99.994%  kept
          HB3   CYS   53 - HB3   PHE   59   8.23 +/- 2.59   5.633% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QB    PHE   55 - HB3   PHE   59   7.78 +/- 1.41   1.521% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  12.47 +/- 3.43   0.542% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.87 +/- 2.12   0.450% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.96 +/- 2.58   0.253% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HA    PHE   60   2.77 +/- 0.25  99.604% * 99.9010% (1.00  10.0 10.00   4.00  72.39) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  18.12 +/- 2.32   0.396% *  0.0990% (0.99   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 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HA    PHE   60   2.67 +/- 0.30  96.469% * 99.7797% (1.00  10.0 10.00   4.00  72.39) =  99.998%  kept
          QE    LYS+ 106 - HA    PHE   60  15.91 +/- 3.21   0.834% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  14.97 +/- 3.80   1.542% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    PHE   60  14.16 +/- 2.99   0.975% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  22.64 +/- 2.62   0.179% *  0.0249% (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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB2   PHE   60   2.77 +/- 0.25  92.895% * 99.8400% (1.00  10.0 10.00   4.00  72.39) =  99.997%  kept
          QB    SER  117 - HB2   PHE   60  12.59 +/- 2.13   1.884% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  13.16 +/- 1.58   1.057% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   PHE   60  12.78 +/- 3.02   1.508% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  11.96 +/- 2.64   1.930% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  14.88 +/- 1.70   0.726% *  0.0278% (0.28   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 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.644% * 99.7797% (1.00  10.0 10.00   4.00  72.39) =  99.999%  kept
          QE    LYS+ 106 - HB2   PHE   60  16.24 +/- 3.46   0.632% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   PHE   60  15.28 +/- 4.08   0.433% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  14.67 +/- 2.98   0.237% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.91 +/- 3.31   0.054% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB3   PHE   60   2.67 +/- 0.30  93.233% * 99.8400% (1.00  10.0 10.00   4.00  72.39) =  99.998%  kept
          QB    SER  117 - HB3   PHE   60  12.81 +/- 2.49   1.688% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  13.16 +/- 1.77   0.970% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   PHE   60  13.08 +/- 3.00   1.446% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  12.06 +/- 2.88   1.986% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.01 +/- 1.96   0.677% *  0.0278% (0.28   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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.902% * 99.9010% (1.00  10.0 10.00   4.00  72.39) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  18.85 +/- 2.58   0.098% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.01  85.367% * 98.4786% (1.00  10.0 10.00   2.21  17.88) =  99.987%  kept
        T QB    ALA  110 - HA    ALA   61  13.78 +/- 2.28   0.424% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - HA    ALA   61   8.57 +/- 1.71   1.723% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ALA   61   8.12 +/- 1.16   1.876% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    ALA   61  10.85 +/- 2.54   2.325% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HA    ALA   61  12.25 +/- 2.75   0.941% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    ALA   61  10.92 +/- 3.35   3.487% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    ALA   61   9.33 +/- 2.83   2.237% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA   61  16.96 +/- 4.10   0.300% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  16.96 +/- 3.49   0.266% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  14.93 +/- 3.08   0.381% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.92 +/- 1.46   0.591% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.76 +/- 2.81   0.085% *  0.0518% (0.53   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 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.01  87.498% * 98.9510% (1.00  10.0 10.00   2.21  17.88) =  99.991%  kept
        T HA    ALA   61 - QB    ALA  110  13.78 +/- 2.28   0.434% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HD3   PRO   58 - QB    ALA   61   6.42 +/- 1.14   4.294% *  0.0444% (0.45   1.0  1.00   0.02   0.91) =   0.002%
          HD2   PRO   68 - QB    ALA   61   9.98 +/- 1.22   1.002% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61   8.97 +/- 2.45   4.052% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110  12.13 +/- 3.40   1.232% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  17.66 +/- 4.35   0.402% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  13.71 +/- 2.77   0.511% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  13.87 +/- 1.59   0.376% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  19.07 +/- 2.98   0.198% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.67 +/- 0.23  98.247% * 99.9434% (1.00  10.0 10.00   3.00  41.00) =  99.999%  kept
          HB2   PRO   52 - HA    ASP-  62  15.66 +/- 3.80   1.753% *  0.0566% (0.57   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 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   2.85 +/- 0.24  97.920% * 99.7306% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HG3   MET   96 - HA    ASP-  62  15.43 +/- 4.20   1.222% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    ASP-  62  21.00 +/- 3.73   0.326% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  23.37 +/- 2.39   0.229% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  21.74 +/- 2.96   0.304% *  0.0495% (0.49   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 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   2.67 +/- 0.23  98.604% * 99.8236% (1.00  10.0 10.00   3.00  41.00) =  99.999%  kept
          HA    SER  117 - HB2   ASP-  62  13.89 +/- 1.17   0.817% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  19.61 +/- 3.53   0.388% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  23.17 +/- 2.97   0.191% *  0.0278% (0.28   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 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  99.570% * 99.7306% (0.98  10.0 10.00   3.00  41.00) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  16.01 +/- 4.02   0.264% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  21.56 +/- 3.07   0.071% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  25.12 +/- 2.63   0.042% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  23.31 +/- 3.13   0.053% *  0.0495% (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 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   2.85 +/- 0.24  97.977% * 99.8236% (0.98  10.0 10.00   3.00  41.00) =  99.999%  kept
          HB    THR   26 - HB3   ASP-  62  18.98 +/- 3.53   0.733% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HB3   ASP-  62  13.89 +/- 1.56   1.077% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  22.69 +/- 2.93   0.214% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00  99.232% * 99.4370% (0.98  10.0 10.00   3.00  41.00) =  99.996%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.07 +/- 3.78   0.768% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 241.2:
    * O T HB2   LEU   63 - HA    LEU   63   2.79 +/- 0.20  83.139% * 99.1997% (1.00  10.0 10.00   6.28 241.19) =  99.983%  kept
          HB3   ASP-  44 - HA    LEU   63   8.42 +/- 2.74   7.786% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.009%
          HB3   PRO   93 - HA    LEU   63  12.00 +/- 3.81   3.523% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    LEU   63  16.03 +/- 3.74   1.005% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  18.02 +/- 3.25   0.742% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  17.98 +/- 3.62   0.681% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  16.47 +/- 2.89   0.606% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   63  17.79 +/- 2.73   0.379% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  15.97 +/- 2.29   0.501% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  18.65 +/- 2.66   0.380% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.93 +/- 2.71   0.319% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  16.60 +/- 3.48   0.597% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  18.50 +/- 2.53   0.341% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.2:
    * O T HB3   LEU   63 - HA    LEU   63   2.42 +/- 0.22  82.033% * 99.7424% (1.00  10.0 10.00   5.98 241.19) =  99.989%  kept
          QG1   VAL   70 - HA    LEU   63   6.61 +/- 1.50   6.701% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HA    LEU   63   8.49 +/- 2.79   3.946% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   63  10.90 +/- 3.36   5.361% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HA    LEU   63  15.04 +/- 3.05   0.808% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    LEU   63  11.78 +/- 1.91   1.150% *  0.0340% (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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.2:
    * O T HG    LEU   63 - HA    LEU   63   3.44 +/- 0.59  81.788% * 99.8120% (1.00  10.0 10.00   5.98 241.19) =  99.984%  kept
          QG2   VAL   24 - HA    LEU   63  15.43 +/- 4.20   9.159% *  0.0963% (0.97   1.0  1.00   0.02   0.80) =   0.011%
          HG3   LYS+ 112 - HA    LEU   63  14.19 +/- 3.95   5.336% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL  107 - HA    LEU   63  10.97 +/- 2.59   3.717% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.17 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.807, support = 5.68, residual support = 241.1:
    *   T QD1   LEU   63 - HA    LEU   63   3.52 +/- 0.80  38.763% * 63.1462% (1.00 10.00   5.59 241.19) =  55.606%  kept
        T QD2   LEU   63 - HA    LEU   63   3.02 +/- 0.40  54.631% * 35.7505% (0.57 10.00   5.80 241.19) =  44.368%  kept
        T QD1   LEU   73 - HA    LEU   63  11.67 +/- 1.09   1.044% *  0.6315% (1.00 10.00   0.02   0.02) =   0.015%
        T QD1   LEU  104 - HA    LEU   63  13.92 +/- 2.37   0.650% *  0.3575% (0.57 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HA    LEU   63   9.02 +/- 2.05   3.838% *  0.0527% (0.84  1.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - HA    LEU   63  15.34 +/- 2.46   0.574% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  15.69 +/- 2.16   0.499% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.11 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.876, support = 5.74, residual support = 241.2:
    *   T QD2   LEU   63 - HA    LEU   63   3.02 +/- 0.40  54.098% * 63.5438% (1.00 10.00   5.80 241.19) =  71.333%  kept
        T QD1   LEU   63 - HA    LEU   63   3.52 +/- 0.80  38.386% * 35.9756% (0.57 10.00   5.59 241.19) =  28.656%  kept
        T QD1   LEU   73 - HA    LEU   63  11.67 +/- 1.09   1.034% *  0.3598% (0.57 10.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HA    LEU   63   9.02 +/- 2.05   3.801% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HA    LEU   63  11.98 +/- 1.65   0.906% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HA    LEU   63  15.51 +/- 3.27   0.614% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  13.95 +/- 1.82   0.593% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  15.34 +/- 2.46   0.569% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.11 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 241.1:
    * O T HA    LEU   63 - HB2   LEU   63   2.79 +/- 0.20  96.213% * 99.2046% (1.00  10.0 10.00   6.28 241.19) =  99.972%  kept
        T HB2   HIS   22 - HB2   LEU   63  17.36 +/- 4.89   3.571% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.028%
          HA2   GLY  101 - HB2   LEU   63  22.46 +/- 2.30   0.216% *  0.0372% (0.38   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 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.2:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  88.341% * 99.7424% (1.00  10.0 10.00   6.31 241.19) =  99.992%  kept
          QG1   VAL   18 - HB2   LEU   63   8.09 +/- 2.84   5.862% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   70 - HB2   LEU   63   6.82 +/- 1.47   3.163% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB2   LEU   63  11.80 +/- 2.24   1.425% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63  10.63 +/- 2.50   1.012% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  14.63 +/- 2.47   0.199% *  0.0645% (0.65   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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.2:
    * O T HG    LEU   63 - HB2   LEU   63   2.54 +/- 0.25  90.357% * 99.8120% (1.00  10.0 10.00   6.31 241.19) =  99.993%  kept
          HG3   LYS+ 112 - HB2   LEU   63  13.31 +/- 4.01   4.705% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   24 - HB2   LEU   63  15.12 +/- 4.02   2.918% *  0.0963% (0.97   1.0  1.00   0.02   0.80) =   0.003%
          QG1   VAL  107 - HB2   LEU   63  10.41 +/- 2.25   2.020% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.888, support = 6.14, residual support = 240.8:
    * O T QD1   LEU   63 - HB2   LEU   63   2.44 +/- 0.34  58.760% * 58.6799% (1.00  10.0 10.00   6.11 241.19) =  74.077%  kept
      O T QD2   LEU   63 - HB2   LEU   63   2.98 +/- 0.32  36.087% * 33.2218% (0.57  10.0 10.00   6.28 241.19) =  25.756%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.08 +/- 1.74   0.972% *  7.6598% (1.00   1.0 10.00   0.26   0.02) =   0.160%  kept
          QD2   LEU  115 - HB2   LEU   63   8.27 +/- 1.96   3.087% *  0.0490% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU  104 - HB2   LEU   63  13.67 +/- 2.34   0.450% *  0.3322% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   LEU   63  15.13 +/- 2.95   0.318% *  0.0470% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  15.37 +/- 2.84   0.326% *  0.0103% (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 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.792, support = 6.19, residual support = 240.9:
    * O T QD2   LEU   63 - HB2   LEU   63   2.98 +/- 0.32  35.811% * 60.9029% (1.00  10.0 10.00   6.28 241.19) =  51.976%  kept
      O T QD1   LEU   63 - HB2   LEU   63   2.44 +/- 0.34  58.314% * 34.4804% (0.57  10.0 10.00   6.11 241.19) =  47.918%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.08 +/- 1.74   0.965% *  4.5009% (0.57   1.0 10.00   0.26   0.02) =   0.104%  kept
          QD2   LEU  115 - HB2   LEU   63   8.27 +/- 1.96   3.063% *  0.0152% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB2   LEU   63  11.68 +/- 1.82   0.697% *  0.0369% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  13.60 +/- 1.99   0.441% *  0.0250% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.27 +/- 3.64   0.392% *  0.0250% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.13 +/- 2.95   0.315% *  0.0136% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.2:
    * O T HA    LEU   63 - HB3   LEU   63   2.42 +/- 0.22  98.198% * 99.8862% (1.00  10.0 10.00   5.98 241.19) =  99.999%  kept
          HB2   HIS   22 - HB3   LEU   63  17.59 +/- 4.63   1.623% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   LEU   63  22.40 +/- 3.10   0.179% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.2:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  85.122% * 99.1997% (1.00  10.0 10.00   6.31 241.19) =  99.984%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.20 +/- 2.88  12.789% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.015%
          HB3   PRO   93 - HB3   LEU   63  12.05 +/- 3.40   0.560% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.43 +/- 4.02   0.242% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.000%
          QB    ALA  124 - HB3   LEU   63  16.25 +/- 3.46   0.187% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  16.11 +/- 3.81   0.207% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.98 +/- 3.92   0.165% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  17.65 +/- 3.58   0.122% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  15.86 +/- 2.11   0.135% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  18.38 +/- 3.41   0.104% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.34 +/- 2.89   0.083% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  16.27 +/- 4.08   0.193% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  18.26 +/- 2.33   0.090% *  0.0174% (0.18   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 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 241.2:
    * O T HG    LEU   63 - HB3   LEU   63   2.86 +/- 0.22  82.603% * 99.8120% (1.00  10.0 10.00   6.00 241.19) =  99.985%  kept
          HG3   LYS+ 112 - HB3   LEU   63  14.21 +/- 4.45   8.822% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          QG2   VAL   24 - HB3   LEU   63  15.14 +/- 4.39   5.552% *  0.0963% (0.97   1.0  1.00   0.02   0.80) =   0.006%
          QG1   VAL  107 - HB3   LEU   63  10.91 +/- 2.93   3.022% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 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 = 0.824, support = 5.87, residual support = 240.7:
    * O T QD1   LEU   63 - HB3   LEU   63   2.59 +/- 0.35  43.486% * 54.3230% (1.00  10.0 10.00   5.82 241.19) =  59.209%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.39 +/- 0.37  52.630% * 30.7552% (0.57  10.0 10.00   5.98 241.19) =  40.570%  kept
        T QD1   LEU   73 - HB3   LEU   63  11.32 +/- 1.66   0.588% * 14.5158% (1.00   1.0 10.00   0.53   0.02) =   0.214%  kept
        T QD1   LEU  104 - HB3   LEU   63  13.70 +/- 2.87   0.406% *  0.3076% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LEU   63   9.11 +/- 2.26   2.320% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB3   LEU   63  15.25 +/- 3.15   0.278% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  15.55 +/- 3.09   0.293% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.861, support = 5.92, residual support = 240.9:
    * O T QD2   LEU   63 - HB3   LEU   63   2.39 +/- 0.37  52.282% * 58.1619% (1.00  10.0 10.00   5.98 241.19) =  68.050%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.59 +/- 0.35  43.199% * 32.9286% (0.57  10.0 10.00   5.82 241.19) =  31.834%  kept
        T QD1   LEU   73 - HB3   LEU   63  11.32 +/- 1.66   0.584% *  8.7990% (0.57   1.0 10.00   0.53   0.02) =   0.115%  kept
          QD2   LEU  115 - HB3   LEU   63   9.11 +/- 2.26   2.304% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   63  11.60 +/- 2.28   0.618% *  0.0353% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  13.64 +/- 2.65   0.378% *  0.0239% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  15.38 +/- 3.85   0.358% *  0.0239% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.25 +/- 3.15   0.276% *  0.0129% (0.22   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 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.2:
    * O T HA    LEU   63 - HG    LEU   63   3.44 +/- 0.59  96.718% * 99.8862% (1.00  10.0 10.00   5.98 241.19) =  99.998%  kept
          HB2   HIS   22 - HG    LEU   63  17.74 +/- 4.31   2.758% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - HG    LEU   63  21.78 +/- 2.98   0.524% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.2:
    * O T HB2   LEU   63 - HG    LEU   63   2.54 +/- 0.25  84.104% * 99.1997% (1.00  10.0 10.00   6.31 241.19) =  99.984%  kept
          HB3   ASP-  44 - HG    LEU   63   7.81 +/- 2.58   8.897% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          HB3   PRO   93 - HG    LEU   63  11.79 +/- 3.24   1.816% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG    LEU   63  16.95 +/- 3.87   1.014% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.001%
          HG    LEU   98 - HG    LEU   63  15.45 +/- 3.36   0.614% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   63  17.78 +/- 3.23   0.489% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG    LEU   63  17.72 +/- 3.85   0.530% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  16.35 +/- 3.18   0.485% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   63  15.81 +/- 1.69   0.493% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  17.81 +/- 3.33   0.317% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  18.74 +/- 2.88   0.323% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  15.74 +/- 4.24   0.628% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  18.08 +/- 1.74   0.290% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 241.1:
    * O T HB3   LEU   63 - HG    LEU   63   2.86 +/- 0.22  59.877% * 99.7424% (1.00  10.0 10.00   6.00 241.19) =  99.961%  kept
          QG1   VAL   18 - HG    LEU   63   8.03 +/- 3.01  15.259% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.017%
          QG1   VAL   70 - HG    LEU   63   5.86 +/- 2.01  18.420% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.017%
          QD1   LEU   71 - HG    LEU   63  11.20 +/- 2.23   2.930% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HG    LEU   63  11.11 +/- 2.98   2.817% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HG    LEU   63  14.74 +/- 2.99   0.697% *  0.0645% (0.65   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 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 = 241.2:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  47.865% * 63.0834% (1.00  10.0 10.00   5.57 241.19) =  63.607%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  48.352% * 35.7149% (0.57  10.0 10.00   5.78 241.19) =  36.378%  kept
        T QD1   LEU   73 - HG    LEU   63  11.09 +/- 2.14   0.704% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU  115 - HG    LEU   63   8.90 +/- 2.36   2.362% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU  104 - HG    LEU   63  13.13 +/- 3.04   0.349% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   83 - HG    LEU   63  15.49 +/- 2.97   0.193% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.37 +/- 2.84   0.174% *  0.0505% (0.80   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 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.7, residual support = 241.2:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  48.165% * 63.5438% (1.00  10.0 10.00   5.78 241.19) =  64.080%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  47.680% * 35.9756% (0.57  10.0 10.00   5.57 241.19) =  35.914%  kept
        T QD1   LEU   73 - HG    LEU   63  11.09 +/- 2.14   0.702% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HG    LEU   63   8.90 +/- 2.36   2.353% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HG    LEU   63  11.10 +/- 2.14   0.472% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  13.11 +/- 2.20   0.258% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  15.52 +/- 3.55   0.196% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.37 +/- 2.84   0.173% *  0.0141% (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 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.56, residual support = 239.6:
    *   T HA    LEU   63 - QD1   LEU   63   3.52 +/- 0.80  66.030% * 93.3047% (1.00 10.00   5.59 241.19) =  99.347%  kept
          HB2   HIS   22 - QD1   LEU   73   8.66 +/- 1.73   7.919% *  3.6840% (0.76  1.00   1.03   0.02) =   0.470%  kept
          HB2   HIS   22 - QD1   LEU   63  14.84 +/- 4.15   4.723% *  1.7538% (0.76  1.00   0.49   0.02) =   0.134%  kept
        T HA    LEU   63 - QD1   LEU   73  11.67 +/- 1.09   2.554% *  0.9330% (1.00 10.00   0.02   0.02) =   0.038%
        T HA    LEU   63 - QD1   LEU  104  13.92 +/- 2.37   1.793% *  0.2284% (0.24 10.00   0.02   0.02) =   0.007%
          HA2   GLY  101 - QD1   LEU  104   7.30 +/- 1.25  13.251% *  0.0086% (0.09  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   73  13.57 +/- 2.51   2.335% *  0.0350% (0.38  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   63  18.50 +/- 2.39   0.668% *  0.0350% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  19.82 +/- 3.50   0.727% *  0.0175% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 6.04, residual support = 237.6:
    * O T HB2   LEU   63 - QD1   LEU   63   2.44 +/- 0.34  44.794% * 75.2889% (1.00  10.0 10.00   6.11 241.19) =  98.496%  kept
          HB2   LEU   31 - QD1   LEU   73   7.36 +/- 2.66   3.355% *  6.5544% (0.90   1.0  1.00   1.94   2.12) =   0.642%  kept
        T HB2   LEU   63 - QD1   LEU   73  11.08 +/- 1.74   0.852% *  9.8279% (1.00   1.0 10.00   0.26   0.02) =   0.245%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.51 +/- 0.49   8.359% *  0.9710% (0.14   1.0  1.00   1.86  18.80) =   0.237%  kept
          HG    LEU   98 - QD1   LEU  104   5.87 +/- 1.05   6.749% *  0.8961% (0.20   1.0  1.00   1.21   9.79) =   0.177%  kept
          HB2   LEU   31 - QD1   LEU   63  14.23 +/- 3.80   1.041% *  3.5833% (0.90   1.0  1.00   1.06   0.27) =   0.109%  kept
        T HB3   LEU   80 - QD1   LEU   73  10.49 +/- 3.77   1.604% *  0.7380% (0.98   1.0 10.00   0.02   0.02) =   0.035%
          HB3   ASP-  44 - QD1   LEU   63   6.93 +/- 2.41  10.184% *  0.0738% (0.98   1.0  1.00   0.02   0.02) =   0.022%
          HB3   ASP-  44 - QD1   LEU   73   7.76 +/- 2.01   4.133% *  0.0738% (0.98   1.0  1.00   0.02   5.03) =   0.009%
        T HB3   LEU   80 - QD1   LEU   63  15.15 +/- 3.70   0.388% *  0.7380% (0.98   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   98 - QD1   LEU   73   8.76 +/- 2.50   3.394% *  0.0603% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   LEU   63 - QD1   LEU  104  13.67 +/- 2.34   0.386% *  0.1843% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   63  10.02 +/- 2.84   1.226% *  0.0487% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD1   LEU   63  13.41 +/- 2.66   0.534% *  0.0675% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.93 +/- 1.72   0.657% *  0.0517% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  12.70 +/- 2.89   0.640% *  0.0487% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  17.70 +/- 3.05   0.169% *  0.1806% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  13.29 +/- 3.01   0.501% *  0.0603% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   73  12.21 +/- 2.43   0.682% *  0.0426% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  14.84 +/- 3.77   0.447% *  0.0629% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU  104  12.54 +/- 3.20   1.181% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  13.48 +/- 2.15   0.376% *  0.0517% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   73  17.98 +/- 3.59   0.247% *  0.0675% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  13.19 +/- 1.12   0.372% *  0.0338% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  15.15 +/- 2.56   0.273% *  0.0426% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.47 +/- 3.51   0.174% *  0.0629% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  11.94 +/- 1.53   0.590% *  0.0181% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  14.65 +/- 6.20   0.635% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.82 +/- 2.76   0.273% *  0.0338% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.26 +/- 1.01   2.466% *  0.0028% (0.04   1.0  1.00   0.02   0.33) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.22 +/- 2.22   0.572% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  13.41 +/- 3.53   0.508% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  12.26 +/- 3.40   0.611% *  0.0083% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  13.14 +/- 1.79   0.372% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.03 +/- 2.08   0.255% *  0.0127% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  15.36 +/- 1.90   0.218% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.50 +/- 2.86   0.186% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.47 +/- 1.31   0.225% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  14.16 +/- 2.89   0.371% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 5.74, residual support = 237.2:
    * O T HB3   LEU   63 - QD1   LEU   63   2.59 +/- 0.35  41.258% * 75.4882% (1.00  10.0 10.00   5.82 241.19) =  98.346%  kept
          QG1   VAL   18 - QD1   LEU   73   6.48 +/- 2.77  10.078% *  3.7699% (0.69   1.0  1.00   1.45   0.62) =   1.200%  kept
        T HB3   LEU   63 - QD1   LEU   73  11.32 +/- 1.66   0.623% * 20.1714% (1.00   1.0 10.00   0.53   0.02) =   0.397%  kept
          QG1   VAL   18 - QD1   LEU   63   6.90 +/- 2.38  13.776% *  0.0519% (0.69   1.0  1.00   0.02   0.02) =   0.023%
          QG1   VAL   70 - QD1   LEU   63   5.29 +/- 1.61  12.892% *  0.0427% (0.57   1.0  1.00   0.02   0.02) =   0.017%
          QD1   LEU  123 - QD1   LEU   63   9.07 +/- 2.66   5.481% *  0.0257% (0.34   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   63 - QD1   LEU  104  13.70 +/- 2.87   0.595% *  0.1848% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   73   8.43 +/- 1.31   3.639% *  0.0257% (0.34   1.0  1.00   0.02   1.17) =   0.003%
          QG1   VAL   70 - QD1   LEU  104   8.83 +/- 3.03   4.117% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   9.24 +/- 0.92   0.958% *  0.0427% (0.57   1.0  1.00   0.02   0.74) =   0.001%
          QG1   VAL  108 - QD1   LEU   63  12.61 +/- 2.79   0.644% *  0.0488% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  12.67 +/- 2.26   0.611% *  0.0488% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.71 +/- 1.54   0.951% *  0.0257% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  14.44 +/- 3.27   0.681% *  0.0257% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  11.98 +/- 2.77   1.159% *  0.0127% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  12.47 +/- 5.03   1.087% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104  10.15 +/- 2.51   0.951% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  11.75 +/- 1.43   0.498% *  0.0120% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.28, residual support = 226.1:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  71.745% * 50.8532% (1.00  10.0 10.00   5.57 241.19) =  93.733%  kept
        T QG2   VAL   24 - QD1   LEU   73   6.38 +/- 2.25   5.322% * 27.1760% (0.97   1.0 10.00   1.11   1.51) =   3.716%  kept
        T QG2   VAL   24 - QD1   LEU   63  12.49 +/- 4.19   4.833% * 19.2831% (0.97   1.0 10.00   0.79   0.80) =   2.394%  kept
        T QG1   VAL  107 - QD1   LEU   63   8.79 +/- 2.84   2.743% *  1.7496% (0.15   1.0 10.00   0.45   0.02) =   0.123%  kept
        T HG    LEU   63 - QD1   LEU   73  11.09 +/- 2.14   1.076% *  0.5085% (1.00   1.0 10.00   0.02   0.02) =   0.014%
          HG3   LYS+ 112 - QD1   LEU   63  11.56 +/- 4.04   8.703% *  0.0389% (0.76   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   VAL   24 - QD1   LEU  104  13.59 +/- 3.78   1.630% *  0.1201% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL  107 - QD1   LEU   73  11.36 +/- 2.84   1.671% *  0.0785% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   63 - QD1   LEU  104  13.13 +/- 3.04   0.524% *  0.1245% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL  107 - QD1   LEU  104   8.73 +/- 1.05   1.194% *  0.0192% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  17.66 +/- 4.63   0.404% *  0.0389% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.59 +/- 2.35   0.154% *  0.0095% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 240.9:
    *   T HA    LEU   63 - QD2   LEU   63   3.02 +/- 0.40  94.055% * 98.0621% (1.00 10.00   5.80 241.19) =  99.891%  kept
          HB2   HIS   22 - QD2   LEU   63  14.73 +/- 3.68   5.272% *  1.9011% (0.76  1.00   0.51   0.02) =   0.109%  kept
          HA2   GLY  101 - QD2   LEU   63  17.69 +/- 2.90   0.673% *  0.0368% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.28 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.28, residual support = 241.1:
    * O T HB2   LEU   63 - QD2   LEU   63   2.98 +/- 0.32  66.176% * 98.3391% (1.00  10.0 10.00   6.28 241.19) =  99.948%  kept
          HB3   ASP-  44 - QD2   LEU   63   6.91 +/- 2.30  18.483% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.027%
        T HB3   LEU   80 - QD2   LEU   63  14.84 +/- 3.10   0.715% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - QD2   LEU   63  15.05 +/- 3.81   1.958% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD2   LEU   63  10.40 +/- 2.79   2.478% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD2   LEU   63  13.86 +/- 3.25   1.776% *  0.0882% (0.90   1.0  1.00   0.02   0.27) =   0.002%
          HG    LEU   98 - QD2   LEU   63  12.59 +/- 3.24   1.787% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   63  13.44 +/- 2.98   1.539% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD2   LEU   63  14.32 +/- 3.15   1.004% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  13.33 +/- 1.77   0.813% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  12.95 +/- 3.91   2.061% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  15.18 +/- 2.30   0.663% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  15.31 +/- 1.81   0.547% *  0.0172% (0.18   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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 241.1:
    * O T HB3   LEU   63 - QD2   LEU   63   2.39 +/- 0.37  59.444% * 99.7424% (1.00  10.0 10.00   5.98 241.19) =  99.962%  kept
          QG1   VAL   70 - QD2   LEU   63   4.53 +/- 1.77  24.283% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.023%
          QG1   VAL   18 - QD2   LEU   63   6.70 +/- 2.12   9.190% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.011%
          QD1   LEU  123 - QD2   LEU   63   9.26 +/- 2.75   3.871% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU   63   9.18 +/- 1.84   2.392% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD2   LEU   63  12.40 +/- 2.80   0.821% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.66, residual support = 235.8:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  73.931% * 83.6386% (1.00  10.0 10.00   5.78 241.19) =  97.768%  kept
        T QG2   VAL   24 - QD2   LEU   63  12.28 +/- 4.01   8.649% * 16.1684% (0.97   1.0 10.00   0.40   0.80) =   2.211%  kept
          HG3   LYS+ 112 - QD2   LEU   63  12.26 +/- 3.92  14.003% *  0.0639% (0.76   1.0  1.00   0.02   0.02) =   0.014%
        T QG1   VAL  107 - QD2   LEU   63   8.79 +/- 2.96   3.416% *  0.1291% (0.15   1.0 10.00   0.02   0.02) =   0.007%
    Distance limit 2.68 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 +/- 0.02  99.172% * 99.9825% (1.00  10.0 10.00   2.00  20.67) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  12.98 +/- 2.85   0.828% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.938, support = 2.12, residual support = 23.3:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.02  76.995% * 72.6945% (1.00  10.0 10.00   2.00  20.67) =  90.019%  kept
        T HB2   PHE   72 - QB    ALA   64   4.11 +/- 0.82  22.745% * 27.2831% (0.38   1.0 10.00   3.24  46.55) =   9.981%  kept
          HB3   ASN   35 - QB    ALA   64  14.59 +/- 1.13   0.259% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.917, support = 6.4, residual support = 155.3:
    * O T QB    LYS+  65 - HA    LYS+  65   2.32 +/- 0.14  80.823% * 85.8467% (0.92  10.0 10.00   6.41 157.13) =  98.579%  kept
          QB    LYS+  66 - HA    LYS+  65   5.26 +/- 0.18   7.277% * 13.6646% (0.52   1.0  1.00   5.62  29.94) =   1.413%  kept
          HB3   GLN   17 - HA    LYS+  65  10.58 +/- 5.17   6.340% *  0.0521% (0.56   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - HA    LYS+  65  10.43 +/- 1.88   1.480% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    LYS+  65  16.37 +/- 3.38   0.430% *  0.0717% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  16.30 +/- 1.81   0.287% *  0.0969% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  12.95 +/- 2.15   0.619% *  0.0322% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.23 +/- 2.02   0.137% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  17.87 +/- 2.70   0.229% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  16.44 +/- 4.36   0.666% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  18.81 +/- 8.16   0.357% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  21.04 +/- 6.30   0.267% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.32 +/- 3.12   0.302% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  19.95 +/- 6.74   0.312% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  18.70 +/- 7.74   0.352% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  23.46 +/- 4.20   0.122% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.847, support = 5.59, residual support = 161.9:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.03 +/- 0.68  29.450% * 53.0514% (0.92  10.0 10.00   5.41 157.13) =  87.445%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.51 +/- 0.60   2.410% * 38.5232% (0.67   1.0 10.00   5.44  29.94) =   5.197%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.95 +/- 0.36  11.520% *  5.9339% (0.10   1.0 10.00   7.80 313.41) =   3.826%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.48 +/- 0.17  41.667% *  1.4928% (0.03  10.0 10.00   8.20 313.41) =   3.481%  kept
        T HD3   LYS+  74 - HA    LYS+  65   7.93 +/- 3.17   5.858% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.027%
          HB2   LYS+  74 - HA    LYS+  65   7.97 +/- 2.64   5.361% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.013%
        T HD2   LYS+ 121 - HA    LYS+  65  16.79 +/- 3.05   0.182% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   26 - HA    LYS+  65  13.01 +/- 2.38   1.005% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 121 - HA    LYS+  65  18.11 +/- 2.46   0.122% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  17.62 +/- 4.39   0.208% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  19.95 +/- 2.08   0.084% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.65 +/- 1.46   0.288% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.82 +/- 1.45   0.097% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  15.84 +/- 9.42   0.759% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.98 +/- 4.70   0.149% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.21 +/- 2.48   0.094% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.57 +/- 3.76   0.083% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  18.03 +/- 7.84   0.422% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.42 +/- 4.00   0.096% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.82 +/- 1.75   0.145% *  0.0010% (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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.914, support = 5.29, residual support = 158.6:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.33 +/- 0.53  45.457% * 94.0974% (0.92  10.0 10.00   5.27 157.13) =  98.943%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.57 +/- 0.32  20.467% *  2.1015% (0.02   1.0 10.00   6.68 313.41) =   0.995%  kept
        T HG3   LYS+  33 - HA    LYS+  65  16.33 +/- 2.74   0.824% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+ 106 - HA    LYS+  65  18.19 +/- 2.75   0.457% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.009%
          HB3   LYS+  74 - HA    LYS+  65   8.47 +/- 2.98  14.547% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    LYS+  65  10.01 +/- 2.01   3.080% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.007%
          HB    VAL   42 - HA    LYS+  65  10.07 +/- 1.35   2.664% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - HA    LYS+  65  23.24 +/- 2.62   0.170% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+ 121  16.14 +/- 6.91   1.156% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.39 +/- 3.36   0.532% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    LYS+  65  14.43 +/- 3.22   1.464% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  22.20 +/- 8.82   0.388% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+  65  15.67 +/- 3.81   1.393% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 121  24.81 +/- 6.86   0.343% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  17.73 +/- 3.46   0.517% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  18.14 +/- 2.61   0.394% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  14.53 +/- 1.99   0.819% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  19.79 +/- 2.11   0.275% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  16.02 +/- 6.20   1.072% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  16.25 +/- 2.02   0.472% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.82 +/- 5.23   0.487% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.86 +/- 1.05   0.468% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  16.69 +/- 6.47   0.932% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.62 +/- 2.65   0.439% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  18.76 +/- 7.67   0.628% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  27.25 +/- 3.92   0.100% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  20.96 +/- 2.29   0.242% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.68 +/- 3.85   0.212% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.818, support = 5.26, residual support = 175.5:
    *   T QD    LYS+  65 - HA    LYS+  65   3.38 +/- 0.63  32.047% * 85.0874% (0.92   1.0 10.00   4.86 157.13) =  87.211%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   3.00 +/- 0.03  40.019% *  9.5809% (0.10  10.0 10.00   8.31 313.41) =  12.263%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.46 +/- 0.65   7.133% *  2.0948% (0.04   1.0 10.00   1.28   2.44) =   0.478%  kept
          HD2   LYS+  74 - HA    LYS+  65   7.34 +/- 3.03  14.617% *  0.0482% (0.52   1.0  1.00   0.02   0.02) =   0.023%
        T HB2   LYS+ 121 - HA    LYS+  65  16.99 +/- 2.48   0.293% *  0.8490% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  38 - HA    LYS+  65  17.76 +/- 2.30   0.261% *  0.7855% (0.85   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+ 102 - HA    LYS+  65  21.58 +/- 2.98   0.215% *  0.4817% (0.52   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  123 - HA    LYS+  65  19.65 +/- 3.23   0.198% *  0.2902% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    LYS+  65  11.82 +/- 2.31   2.079% *  0.0237% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+  65  17.38 +/- 3.54   0.340% *  0.0843% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  22.81 +/- 2.82   0.107% *  0.2122% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 121  17.91 +/- 1.94   0.220% *  0.0960% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 121  21.76 +/- 7.59   0.209% *  0.0886% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  20.26 +/- 8.31   0.310% *  0.0544% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  21.91 +/- 2.76   0.125% *  0.1313% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  16.21 +/- 3.30   0.446% *  0.0319% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  19.22 +/- 1.94   0.178% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  18.55 +/- 1.80   0.197% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  13.85 +/- 2.01   0.499% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.95 +/- 3.67   0.185% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.05 +/- 3.33   0.104% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.58 +/- 3.25   0.217% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 157.0:
    *   T QE    LYS+  65 - HA    LYS+  65   4.42 +/- 0.46  80.659% * 97.2340% (0.92 10.00   4.88 157.13) =  99.923%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.12 +/- 3.02   3.846% *  0.8720% (0.83 10.00   0.02   0.02) =   0.043%
        T HB2   ASN   28 - HA    LYS+  65  18.69 +/- 2.71   1.558% *  0.9384% (0.89 10.00   0.02   0.02) =   0.019%
        T HB2   ASN   35 - HA    LYS+  65  20.64 +/- 2.04   0.993% *  0.5898% (0.56 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  33 - HA    LYS+ 121  23.10 +/- 6.21   1.908% *  0.0984% (0.09 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    LYS+  65  15.34 +/- 3.82   4.258% *  0.0365% (0.35  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HA    LYS+ 121  18.57 +/- 2.14   1.365% *  0.1097% (0.10 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HA    LYS+  65  19.84 +/- 3.72   1.327% *  0.0898% (0.85  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HA    LYS+ 121  26.41 +/- 6.37   0.973% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  26.10 +/- 7.60   1.051% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  25.39 +/- 5.07   1.498% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  25.29 +/- 3.98   0.562% *  0.0101% (0.10  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 = 6.41, residual support = 157.1:
    * O T HA    LYS+  65 - QB    LYS+  65   2.32 +/- 0.14  70.183% * 98.7802% (0.92  10.0 10.00   6.41 157.13) =  99.966%  kept
          QB    SER   48 - QB    LYS+  65  11.43 +/- 4.60  15.165% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.018%
          HB    THR   94 - QB    LYS+  65  12.51 +/- 4.36   9.679% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LYS+ 121 - QB    LYS+  65  16.30 +/- 1.81   0.251% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QB    LYS+  65  13.35 +/- 4.75   1.439% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - QB    LYS+  65  13.93 +/- 4.05   1.645% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  15.57 +/- 2.24   0.308% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  15.18 +/- 3.51   0.492% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  18.27 +/- 3.53   0.198% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.62 +/- 1.08   0.311% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  19.52 +/- 3.91   0.179% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  18.65 +/- 1.68   0.149% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.978, support = 5.78, residual support = 146.9:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.41 +/- 0.13  77.174% * 57.5064% (1.00  10.0 10.00   5.82 157.13) =  91.973%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.48 +/- 0.86   9.259% * 41.7582% (0.73   1.0 10.00   5.34  29.94) =   8.012%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.13 +/- 2.24   0.545% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QB    LYS+  65   7.88 +/- 1.98   4.361% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QB    LYS+  65  12.39 +/- 2.12   1.941% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QB    LYS+  65   7.58 +/- 2.48   5.263% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QB    LYS+  65  13.38 +/- 1.51   0.550% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  15.28 +/- 1.71   0.371% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.39 +/- 1.70   0.238% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.80 +/- 1.98   0.298% *  0.0101% (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 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 157.1:
    * O T QD    LYS+  65 - QB    LYS+  65   2.15 +/- 0.15  89.377% * 97.4795% (1.00  10.0 10.00   5.28 157.13) =  99.987%  kept
          HD2   LYS+  74 - QB    LYS+  65   7.18 +/- 2.25   6.069% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   PRO   93 - QB    LYS+  65  13.31 +/- 3.21   0.731% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QB    LYS+  65  17.12 +/- 2.12   0.278% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - QB    LYS+  65  19.97 +/- 2.99   0.188% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   9.36 +/- 1.95   1.843% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  14.25 +/- 1.78   0.447% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  15.57 +/- 3.09   0.430% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.13 +/- 2.25   0.157% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  18.30 +/- 2.16   0.187% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  16.40 +/- 2.63   0.293% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 157.1:
    *   T QE    LYS+  65 - QB    LYS+  65   3.09 +/- 0.49  94.078% * 98.8300% (1.00 10.00   5.30 157.13) =  99.983%  kept
        T QE    LYS+  33 - QB    LYS+  65  14.85 +/- 2.40   1.466% *  0.8863% (0.90 10.00   0.02   0.02) =   0.014%
          HB2   ASP-  78 - QB    LYS+  65  13.38 +/- 3.39   2.488% *  0.0371% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  65  17.80 +/- 3.25   0.815% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - QB    LYS+  65  17.49 +/- 2.67   0.721% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  19.80 +/- 1.72   0.432% *  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 = 5.4, residual support = 157.1:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.03 +/- 0.68  69.929% * 97.8884% (0.92  10.0 10.00   5.41 157.13) =  99.959%  kept
          QB    SER   48 - HG2   LYS+  65  13.19 +/- 5.50  14.351% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.017%
          HB    THR   94 - HG2   LYS+  65  15.23 +/- 5.19   7.289% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.007%
        T HA    ALA  120 - HG2   LYS+  65  19.15 +/- 2.55   0.430% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HA2   GLY   16 - HG2   LYS+  65  14.65 +/- 6.00   2.888% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - HG2   LYS+  65  19.95 +/- 2.08   0.340% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HG2   LYS+  65  17.73 +/- 4.39   1.354% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG2   LYS+  65  16.56 +/- 4.75   1.683% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  20.84 +/- 4.24   0.472% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HG2   LYS+  65  18.05 +/- 1.17   0.474% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  21.12 +/- 2.21   0.388% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  22.56 +/- 4.80   0.402% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.948, support = 5.66, residual support = 141.9:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.41 +/- 0.13  75.106% * 63.6862% (1.00  10.0 10.00   5.82 157.13) =  88.027%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.03 +/- 1.32  18.035% * 36.0562% (0.57   1.0 10.00   4.45  29.94) =  11.967%  kept
          HB3   GLN   17 - HG2   LYS+  65  11.53 +/- 5.49   4.387% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG2   LYS+  65  12.75 +/- 2.46   0.901% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG2   LYS+  65  16.42 +/- 4.27   0.827% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG2   LYS+  65  15.10 +/- 2.53   0.432% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.95 +/- 2.28   0.116% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  19.67 +/- 3.12   0.195% *  0.0159% (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 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.64, residual support = 157.1:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.39 +/- 0.16  90.944% * 96.4735% (1.00  10.0 10.00   4.64 157.13) =  99.958%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   8.43 +/- 2.37   5.494% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.034%
        T HB2   LYS+ 121 - HG2   LYS+  65  17.70 +/- 1.95   0.247% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  65  19.53 +/- 2.33   0.232% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+  65  23.28 +/- 3.04   0.133% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  65  17.95 +/- 3.57   0.436% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.26 +/- 4.04   0.962% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.99 +/- 2.68   0.133% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65  11.53 +/- 2.12   1.066% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.09 +/- 2.55   0.150% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  19.98 +/- 3.00   0.203% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 157.1:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.58 +/- 0.46  97.266% * 98.8300% (1.00  10.0 10.00   4.56 157.13) =  99.991%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.58 +/- 3.09   0.804% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ASP-  78 - HG2   LYS+  65  15.05 +/- 3.95   1.080% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  19.66 +/- 3.11   0.392% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  20.57 +/- 3.83   0.247% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.44 +/- 2.28   0.211% *  0.0599% (0.61   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.922, support = 4.85, residual support = 157.0:
    *   T HA    LYS+  65 - QD    LYS+  65   3.38 +/- 0.63  41.647% * 96.9449% (0.92 10.00   4.86 157.13) =  99.926%  kept
          HB    THR   94 - QD    LYS+  65  13.68 +/- 5.17  10.063% *  0.0679% (0.65  1.00   0.02   0.02) =   0.017%
          QB    SER   48 - QD    LYS+  65  12.01 +/- 4.79   7.429% *  0.0803% (0.76  1.00   0.02   0.02) =   0.015%
          HA2   GLY   16 - QD    LYS+  65  13.88 +/- 5.40   3.552% *  0.1014% (0.97  1.00   0.02   0.02) =   0.009%
        T HA    LYS+ 121 - QD    LYS+  65  17.91 +/- 1.94   0.383% *  0.5946% (0.57 10.00   0.02   0.02) =   0.006%
          HD2   PRO   52 - QD    LYS+  65  14.80 +/- 4.42   3.546% *  0.0358% (0.34  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - QD    LYS+ 102  21.58 +/- 2.98   0.450% *  0.2450% (0.23 10.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    LYS+  65  15.88 +/- 3.89   2.147% *  0.0511% (0.49  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+ 102  20.26 +/- 8.31   0.520% *  0.1503% (0.14 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+  38  17.76 +/- 2.30   0.433% *  0.1771% (0.17 10.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QD    LYS+  65  17.12 +/- 2.54   0.545% *  0.0993% (0.95  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  19.22 +/- 1.94   0.347% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  18.58 +/- 4.49   0.464% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  22.81 +/- 2.82   0.181% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QD    LYS+  38  21.76 +/- 7.59   0.400% *  0.1086% (0.10 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+ 102  21.51 +/- 6.03   1.449% *  0.0256% (0.24  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  18.55 +/- 1.80   0.385% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  21.91 +/- 2.76   0.214% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  38  13.78 +/- 3.34   1.429% *  0.0185% (0.18  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HD3   LYS+ 111   9.98 +/- 1.54   2.670% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  14.09 +/- 2.36   1.009% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.46 +/- 2.58   1.417% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.08 +/- 1.43   0.551% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.49 +/- 1.36   3.024% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  15.99 +/- 5.39   2.159% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.18 +/- 1.25   0.451% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.38 +/- 3.10   0.525% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  18.38 +/- 4.01   0.392% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  19.88 +/- 3.72   0.343% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  20.16 +/- 5.07   0.458% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  17.65 +/- 3.23   0.665% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.43 +/- 1.34   0.531% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  17.16 +/- 1.44   0.445% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.16 +/- 4.05   0.820% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  22.32 +/- 6.15   0.272% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.35 +/- 1.09   1.773% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  22.98 +/- 6.11   0.358% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.28 +/- 3.93   1.119% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  19.55 +/- 2.12   0.295% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  18.35 +/- 4.16   0.462% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  19.60 +/- 3.82   0.356% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  23.43 +/- 4.32   0.329% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.50 +/- 3.95   0.548% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  23.20 +/- 3.18   0.185% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.60 +/- 4.09   0.066% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  18.08 +/- 4.42   0.492% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  24.39 +/- 3.51   0.142% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.77 +/- 1.14   0.188% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  30.65 +/- 5.00   0.083% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  18.58 +/- 4.36   0.424% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  18.97 +/- 3.78   0.422% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  29.78 +/- 5.11   0.095% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  18.63 +/- 3.89   0.441% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.79 +/- 3.54   0.093% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  28.88 +/- 4.91   0.124% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.61 +/- 3.54   0.241% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.72 +/- 3.27   0.123% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  27.46 +/- 5.04   0.135% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  26.12 +/- 3.49   0.117% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.93 +/- 3.78   0.071% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.13 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.848, support = 5.15, residual support = 155.0:
    * O T QB    LYS+  65 - QD    LYS+  65   2.15 +/- 0.15  37.870% * 69.2164% (1.00  10.0 10.00   5.28 157.13) =  79.164%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.18 +/- 0.22  36.462% * 17.1483% (0.25  10.0 10.00   4.75 159.77) =  18.884%  kept
          QB    LYS+  66 - QD    LYS+  65   5.24 +/- 0.97   6.131% *  8.7566% (0.57   1.0  1.00   4.47  29.94) =   1.621%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.42 +/- 3.83   8.599% *  0.9978% (0.13   1.0 10.00   0.23   0.02) =   0.259%  kept
          HG12  ILE  103 - QD    LYS+ 102   7.12 +/- 1.08   2.145% *  0.8517% (0.06   1.0  1.00   3.90  23.47) =   0.055%
        T HG2   PRO   93 - QD    LYS+  65  14.79 +/- 3.97   0.275% *  0.5781% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HB3   GLN   17 - QD    LYS+  65  11.05 +/- 5.10   1.823% *  0.0420% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  38  12.79 +/- 4.80   0.400% *  0.1239% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QD    LYS+  65  19.92 +/- 2.51   0.063% *  0.6785% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  14.05 +/- 1.95   0.160% *  0.2598% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111  10.12 +/- 3.78   2.462% *  0.0143% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  13.06 +/- 3.41   0.375% *  0.0657% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.10 +/- 1.96   0.266% *  0.0691% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QD    LYS+ 102  19.97 +/- 2.99   0.092% *  0.1749% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.67 +/- 0.97   0.334% *  0.0475% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  17.12 +/- 2.12   0.114% *  0.1264% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.13 +/- 2.25   0.064% *  0.1714% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.30 +/- 2.16   0.076% *  0.1060% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.92 +/- 1.23   0.037% *  0.1461% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.64 +/- 2.90   0.047% *  0.1039% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.55 +/- 1.32   0.367% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  15.51 +/- 3.14   0.353% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.40 +/- 2.05   0.025% *  0.1056% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  17.89 +/- 3.34   0.123% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.87 +/- 2.69   0.227% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  17.39 +/- 3.36   0.091% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.73 +/- 3.49   0.037% *  0.0398% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  20.08 +/- 4.26   0.143% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  19.31 +/- 4.09   0.179% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  22.85 +/- 3.35   0.060% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.26 +/- 5.05   0.068% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  14.76 +/- 3.59   0.173% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.73 +/- 2.49   0.050% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  21.17 +/- 3.39   0.105% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  26.95 +/- 4.40   0.025% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  26.14 +/- 4.43   0.029% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  24.44 +/- 3.67   0.035% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  29.09 +/- 4.14   0.019% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.79 +/- 2.95   0.072% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.19 +/- 4.34   0.023% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.948, support = 4.6, residual support = 147.1:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.39 +/- 0.16  41.829% * 54.0927% (1.00  10.0 10.00   4.64 157.13) =  87.055%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.94 +/- 1.65   7.019% * 39.2794% (0.73   1.0 10.00   4.16  29.94) =  10.608%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.25 +/- 0.62  23.532% *  1.4512% (0.03  10.0  1.00   5.20 315.09) =   1.314%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.79 +/- 0.25  10.610% *  2.3452% (0.04  10.0  1.00   5.20 315.09) =   0.957%  kept
        T HB2   LYS+  74 - QD    LYS+  65   8.67 +/- 2.04   2.206% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.038%
        T HD3   LYS+  74 - QD    LYS+  65   8.09 +/- 2.68   3.268% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.010%
          QG2   THR   26 - QD    LYS+  65  12.75 +/- 2.53   1.935% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 121 - QD    LYS+  65  15.78 +/- 2.33   0.181% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  66 - HD3   LYS+ 111  21.06 +/- 5.10   0.326% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+ 102  19.25 +/- 8.53   0.184% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+  65  16.95 +/- 1.74   0.128% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+  38  17.89 +/- 2.64   0.220% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  20.53 +/- 7.57   0.140% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  19.08 +/- 2.26   0.092% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.53 +/- 2.33   0.109% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.96 +/- 4.35   0.095% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  18.23 +/- 2.10   0.120% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.28 +/- 3.04   0.061% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.99 +/- 2.68   0.056% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.47 +/- 1.25   2.170% *  0.0034% (0.06   1.0  1.00   0.02   0.32) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  19.18 +/- 8.26   0.190% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  21.89 +/- 2.72   0.062% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.09 +/- 2.55   0.064% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  18.01 +/- 2.12   0.112% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  22.70 +/- 4.83   0.168% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.78 +/- 3.43   0.149% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.53 +/- 3.35   0.229% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   7.90 +/- 1.15   1.389% *  0.0022% (0.04   1.0  1.00   0.02   0.76) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  20.31 +/- 5.01   0.500% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  21.22 +/- 7.22   0.105% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.87 +/- 1.36   0.191% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.46 +/- 1.19   0.228% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.54 +/- 3.14   0.143% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.89 +/- 1.90   0.093% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  20.10 +/- 1.98   0.082% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.17 +/- 2.34   0.117% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.83 +/- 4.36   0.080% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  13.21 +/- 3.89   0.410% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  13.69 +/- 3.91   0.313% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.08 +/- 4.63   0.136% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.16 +/- 4.54   0.103% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  18.35 +/- 2.05   0.102% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  21.82 +/- 5.13   0.275% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  22.31 +/- 3.53   0.083% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  17.33 +/- 1.96   0.124% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  22.40 +/- 3.10   0.065% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.91 +/- 3.12   0.071% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.85 +/- 3.85   0.048% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  24.15 +/- 3.66   0.050% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.56 +/- 3.38   0.035% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 157.1:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.03  89.937% * 97.0780% (1.00  10.0 10.00   4.23 157.13) =  99.991%  kept
        T QE    LYS+  33 - QD    LYS+  65  15.50 +/- 2.67   0.336% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+  38   9.75 +/- 1.43   1.115% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+ 102  16.84 +/- 3.72   0.269% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QD    LYS+  65  13.37 +/- 4.37   1.094% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  21.80 +/- 3.27   0.145% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   6.95 +/- 1.07   3.159% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  19.00 +/- 2.04   0.149% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  18.34 +/- 4.15   0.294% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.58 +/- 2.14   0.106% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  18.15 +/- 3.10   0.236% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  19.77 +/- 1.99   0.119% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.75 +/- 3.75   0.044% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  16.82 +/- 4.96   0.388% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  15.86 +/- 5.57   0.530% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.54 +/- 5.24   0.287% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.07 +/- 3.76   0.048% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  20.77 +/- 2.06   0.106% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.21 +/- 4.95   0.222% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  20.81 +/- 4.90   0.238% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.92 +/- 1.44   0.189% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.53 +/- 5.41   0.247% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  21.84 +/- 5.63   0.343% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  23.14 +/- 5.00   0.096% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.79 +/- 4.35   0.045% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  24.26 +/- 3.46   0.093% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  29.11 +/- 4.32   0.047% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  33.08 +/- 4.08   0.033% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  25.98 +/- 2.44   0.052% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.40 +/- 3.76   0.031% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.873, support = 4.8, residual support = 148.5:
    *   T HA    LYS+  65 - QE    LYS+  65   4.42 +/- 0.46  33.643% * 88.0388% (0.92 10.00   4.88 157.13) =  93.943%  kept
        T HA    GLN   32 - QE    LYS+  33   6.31 +/- 1.42  19.256% *  9.7024% (0.10 10.00   3.62  15.28) =   5.926%  kept
          QB    SER   48 - QE    LYS+  65  11.84 +/- 4.52  12.168% *  0.0729% (0.76  1.00   0.02   0.02) =   0.028%
        T HA    LYS+  65 - QE    LYS+  33  15.12 +/- 3.02   1.795% *  0.4526% (0.47 10.00   0.02   0.02) =   0.026%
          HA2   GLY   16 - QE    LYS+  65  14.51 +/- 5.31   7.930% *  0.0920% (0.97  1.00   0.02   0.02) =   0.023%
          HB    THR   94 - QE    LYS+  65  14.07 +/- 4.88   5.998% *  0.0617% (0.65  1.00   0.02   0.02) =   0.012%
        T HA    LYS+ 121 - QE    LYS+  65  18.57 +/- 2.14   0.592% *  0.5399% (0.57 10.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - QE    LYS+  33  10.44 +/- 3.27   5.422% *  0.0473% (0.50  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - QE    LYS+  33  23.10 +/- 6.21   0.632% *  0.2776% (0.29 10.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - QE    LYS+  65  15.45 +/- 3.68   3.276% *  0.0464% (0.49  1.00   0.02   0.02) =   0.005%
          HD2   PRO   52 - QE    LYS+  65  14.57 +/- 4.04   3.339% *  0.0325% (0.34  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QE    LYS+  65  20.43 +/- 1.95   0.398% *  0.1887% (0.20 10.00   0.02   0.02) =   0.002%
          QB    SER   85 - QE    LYS+  65  18.57 +/- 4.64   0.793% *  0.0920% (0.97  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QE    LYS+  65  17.64 +/- 2.63   0.767% *  0.0902% (0.95  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QE    LYS+  33  23.70 +/- 4.97   0.450% *  0.0464% (0.49  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  65  16.56 +/- 1.28   0.714% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  22.62 +/- 4.34   0.354% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QE    LYS+  33  20.56 +/- 3.74   0.445% *  0.0375% (0.39  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QE    LYS+  33  20.34 +/- 2.27   0.393% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  20.26 +/- 5.18   0.676% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.34 +/- 3.56   0.378% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  26.74 +/- 3.24   0.161% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.44 +/- 3.32   0.194% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.99 +/- 3.55   0.227% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.98, support = 5.25, residual support = 151.3:
    *   T QB    LYS+  65 - QE    LYS+  65   3.09 +/- 0.49  51.134% * 88.0433% (1.00 10.00   5.30 157.13) =  95.461%  kept
          QB    LYS+  66 - QE    LYS+  65   5.61 +/- 1.40  19.431% * 10.9393% (0.57  1.00   4.39  29.94) =   4.507%  kept
          HB2   LEU   71 - QE    LYS+  33   9.44 +/- 3.42  10.324% *  0.0452% (0.51  1.00   0.02   0.02) =   0.010%
        T QB    LYS+  65 - QE    LYS+  33  14.85 +/- 2.40   0.747% *  0.4526% (0.51 10.00   0.02   0.02) =   0.007%
          HB3   GLN   17 - QE    LYS+  65  11.51 +/- 4.92   4.699% *  0.0534% (0.61  1.00   0.02   0.02) =   0.005%
          HB3   GLN   17 - QE    LYS+  33  10.56 +/- 2.91   4.095% *  0.0275% (0.31  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QE    LYS+  65  14.85 +/- 3.82   1.397% *  0.0735% (0.84  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  65  13.02 +/- 1.97   0.841% *  0.0878% (1.00  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  33   9.60 +/- 3.05   3.981% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  15.80 +/- 3.24   0.581% *  0.0444% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  65  20.62 +/- 2.52   0.258% *  0.0863% (0.98  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  14.99 +/- 2.00   0.598% *  0.0330% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.38 +/- 2.12   0.601% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  18.62 +/- 3.12   0.454% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.03 +/- 3.38   0.723% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.96 +/- 2.32   0.137% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.989, support = 4.55, residual support = 152.1:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.58 +/- 0.46  59.551% * 85.6041% (1.00  10.0 10.00   4.56 157.13) =  96.078%  kept
          QD    LYS+  66 - QE    LYS+  65   6.10 +/- 2.02  15.406% * 13.4225% (0.73   1.0  1.00   4.32  29.94) =   3.897%  kept
          QG2   THR   26 - QE    LYS+  65  13.04 +/- 2.62   4.697% *  0.0848% (0.99   1.0  1.00   0.02   0.02) =   0.008%
          QG2   THR   26 - QE    LYS+  33   6.97 +/- 1.24   7.732% *  0.0436% (0.51   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   LYS+  65 - QE    LYS+  33  16.58 +/- 3.09   0.472% *  0.4401% (0.51   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - QE    LYS+  65   8.98 +/- 1.64   2.642% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QE    LYS+  65   8.20 +/- 2.28   4.770% *  0.0132% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  65  16.44 +/- 2.46   0.475% *  0.0848% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  33  13.69 +/- 1.94   0.575% *  0.0368% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.40 +/- 2.41   0.463% *  0.0320% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.26 +/- 2.04   0.973% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.69 +/- 5.99   0.209% *  0.0436% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.85 +/- 1.37   0.389% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  17.65 +/- 2.01   0.304% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.76 +/- 1.86   0.179% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.06 +/- 2.85   0.343% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.42 +/- 1.94   0.207% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.77 +/- 2.08   0.361% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  22.49 +/- 5.95   0.178% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  26.38 +/- 3.23   0.074% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 157.1:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.03  91.080% * 96.2302% (1.00  10.0 10.00   4.23 157.13) =  99.985%  kept
        T QD    LYS+  38 - QE    LYS+  33   9.75 +/- 1.43   1.129% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  65 - QE    LYS+  33  15.50 +/- 2.67   0.341% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QE    LYS+  65  19.00 +/- 2.04   0.151% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QE    LYS+  65   8.23 +/- 1.90   2.381% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  21.80 +/- 3.27   0.147% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  33  16.84 +/- 3.72   0.272% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  65  16.15 +/- 3.93   0.557% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65  10.11 +/- 2.86   1.559% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.58 +/- 2.14   0.108% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.60 +/- 2.10   0.231% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  14.64 +/- 3.66   0.586% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  19.77 +/- 1.99   0.121% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.86 +/- 1.95   0.314% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  20.21 +/- 5.45   0.178% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.82 +/- 5.54   0.151% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  18.36 +/- 3.08   0.185% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.75 +/- 3.75   0.044% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.07 +/- 3.76   0.049% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.96 +/- 5.51   0.175% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.50 +/- 2.50   0.174% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.97 +/- 2.34   0.067% *  0.0186% (0.19   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 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.99, support = 5.2, residual support = 115.4:
    * O T QB    LYS+  66 - HA    LYS+  66   2.33 +/- 0.14  83.372% * 86.1890% (1.00  10.0 10.00   5.20 117.31) =  97.775%  kept
          QB    LYS+  65 - HA    LYS+  66   4.47 +/- 0.31  12.572% * 12.9389% (0.57   1.0  1.00   5.30  29.94) =   2.213%  kept
        T HB3   PRO   52 - HA    LYS+  66  19.65 +/- 4.73   1.408% *  0.4880% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HG2   PRO   93 - HA    LYS+  66  17.76 +/- 4.18   0.755% *  0.0773% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.08 +/- 1.87   0.828% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  66  15.44 +/- 1.89   0.332% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  66  18.72 +/- 4.98   0.466% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.25 +/- 2.28   0.151% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  21.97 +/- 2.03   0.116% *  0.0592% (0.69   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 4.37, residual support = 108.7:
    * O T QG    LYS+  66 - HA    LYS+  66   2.68 +/- 0.43  66.150% * 64.6467% (1.00  10.0 10.00   4.36 117.31) =  91.638%  kept
        T HG    LEU   67 - HA    LYS+  66   5.99 +/- 1.22  12.562% * 24.2626% (0.38   1.0 10.00   4.80  14.70) =   6.531%  kept
          HB3   LEU   67 - HA    LYS+  66   5.86 +/- 0.46   7.911% * 10.7301% (0.95   1.0  1.00   3.51  14.70) =   1.819%  kept
          QB    ALA  110 - HA    LYS+  66  16.86 +/- 4.54   7.107% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   61 - HA    LYS+  66   8.70 +/- 1.26   2.274% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  115 - HA    LYS+  66  16.12 +/- 3.37   1.308% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    LYS+  66  14.16 +/- 1.50   0.604% *  0.0612% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+  66  13.98 +/- 2.55   0.673% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.19 +/- 1.11   0.685% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  19.27 +/- 3.54   0.334% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  25.13 +/- 2.57   0.103% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  19.39 +/- 3.34   0.289% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.981, support = 4.42, residual support = 111.4:
    *   T QD    LYS+  66 - HA    LYS+  66   3.08 +/- 0.70  57.632% * 85.1842% (1.00 10.00   4.42 117.31) =  93.230%  kept
          HG2   LYS+  65 - HA    LYS+  66   4.94 +/- 1.15  25.680% * 13.8366% (0.73  1.00   4.47  29.94) =   6.748%  kept
          HD3   LYS+  74 - HA    LYS+  66  10.17 +/- 3.78  10.969% *  0.0448% (0.53  1.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 121 - HA    LYS+  66  17.31 +/- 4.12   0.672% *  0.6821% (0.80 10.00   0.02   0.02) =   0.009%
          HB2   LYS+  74 - HA    LYS+  66  10.62 +/- 3.02   3.266% *  0.0320% (0.38  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  66  15.13 +/- 2.29   0.678% *  0.0551% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+  66  21.26 +/- 4.02   0.503% *  0.0482% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  18.64 +/- 3.93   0.390% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  20.49 +/- 2.41   0.211% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.05 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 117.3:
    *   T QE    LYS+  66 - HA    LYS+  66   4.04 +/- 0.81  88.328% * 99.6609% (1.00 10.00   4.25 117.31) =  99.988%  kept
        T HB2   ASP-  76 - HA    LYS+  66  15.03 +/- 3.24   3.515% *  0.2219% (0.22 10.00   0.02   0.02) =   0.009%
          HB2   ASN   69 - HA    LYS+  66  10.36 +/- 1.07   7.285% *  0.0308% (0.31  1.00   0.02   0.02) =   0.003%
          HB3   ASN   35 - HA    LYS+  66  22.07 +/- 2.70   0.871% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 117.3:
    * O T HA    LYS+  66 - QB    LYS+  66   2.33 +/- 0.14  98.440% * 99.9488% (1.00  10.0 10.00   5.20 117.31) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  13.24 +/- 3.77   1.132% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.63 +/- 2.33   0.190% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  18.99 +/- 3.06   0.238% *  0.0154% (0.15   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 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 = 0.984, support = 4.58, residual support = 113.7:
    * O T QG    LYS+  66 - QB    LYS+  66   2.07 +/- 0.03  80.853% * 64.3740% (1.00  10.0 10.00   4.59 117.31) =  96.517%  kept
        T HG    LEU   67 - QB    LYS+  66   5.51 +/- 0.92   5.578% * 24.1603% (0.38   1.0 10.00   4.76  14.70) =   2.499%  kept
          HB3   LEU   67 - QB    LYS+  66   5.45 +/- 0.54   4.968% * 10.6042% (0.95   1.0  1.00   3.48  14.70) =   0.977%  kept
          QB    ALA  110 - QB    LYS+  66  14.27 +/- 4.05   3.618% *  0.0390% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   61 - QB    LYS+  66   7.54 +/- 1.10   2.141% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 102 - QB    LYS+  66  22.44 +/- 2.57   0.073% *  0.5584% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QB    LYS+  66  13.24 +/- 3.27   1.042% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  12.99 +/- 1.44   0.384% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.98 +/- 2.10   0.492% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  11.65 +/- 1.22   0.501% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  17.39 +/- 3.01   0.177% *  0.0416% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  17.45 +/- 2.68   0.173% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.967, support = 4.61, residual support = 106.9:
    * O T QD    LYS+  66 - QB    LYS+  66   2.22 +/- 0.16  77.711% * 57.5492% (1.00  10.0 10.00   4.63 117.31) =  88.045%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.03 +/- 1.32  14.512% * 41.7893% (0.73   1.0 10.00   4.45  29.94) =  11.939%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  14.50 +/- 4.15   1.318% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.012%
          HD3   LYS+  74 - QB    LYS+  66   9.68 +/- 2.64   2.119% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66   9.96 +/- 2.14   2.434% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  15.63 +/- 3.99   0.606% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  13.83 +/- 2.43   0.542% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  17.76 +/- 3.97   0.541% *  0.0326% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  17.97 +/- 2.69   0.217% *  0.0395% (0.69   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 117.3:
    *   T QE    LYS+  66 - QB    LYS+  66   2.90 +/- 0.54  94.992% * 99.6609% (1.00 10.00   4.45 117.31) =  99.996%  kept
        T HB2   ASP-  76 - QB    LYS+  66  13.59 +/- 2.25   1.222% *  0.2219% (0.22 10.00   0.02   0.02) =   0.003%
          HB2   ASN   69 - QB    LYS+  66   9.62 +/- 0.87   3.350% *  0.0308% (0.31  1.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QB    LYS+  66  19.97 +/- 2.74   0.436% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.987, support = 4.37, residual support = 115.8:
    * O T HA    LYS+  66 - QG    LYS+  66   2.68 +/- 0.43  76.960% * 92.8046% (1.00  10.0 10.00   4.36 117.31) =  98.560%  kept
        T HA    LYS+  66 - HG    LEU   67   5.99 +/- 1.22  14.607% *  7.1442% (0.08   1.0 10.00   4.80  14.70) =   1.440%  kept
          HA1   GLY   16 - QG    LYS+  66  13.44 +/- 4.01   1.426% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  11.86 +/- 4.69   5.897% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  19.29 +/- 3.41   0.333% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  21.09 +/- 1.93   0.214% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  19.08 +/- 2.66   0.299% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  20.61 +/- 3.40   0.264% *  0.0011% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.984, support = 4.62, residual support = 114.5:
    * O T QB    LYS+  66 - QG    LYS+  66   2.07 +/- 0.03  73.228% * 79.5288% (1.00  10.0 10.00   4.59 117.31) =  96.840%  kept
          QB    LYS+  65 - QG    LYS+  66   4.51 +/- 0.98  12.531% * 12.6566% (0.57   1.0  1.00   5.62  29.94) =   2.637%  kept
        T QB    LYS+  66 - HG    LEU   67   5.51 +/- 0.92   5.060% *  6.1222% (0.08   1.0 10.00   4.76  14.70) =   0.515%  kept
        T HB    VAL   41 - QG    LYS+  66  14.42 +/- 2.06   0.276% *  0.7523% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   52 - QG    LYS+  66  16.56 +/- 4.01   1.130% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QG    LYS+  66  19.93 +/- 2.24   0.092% *  0.5463% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG    LYS+  66  15.21 +/- 3.66   0.580% *  0.0713% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.50 +/- 2.64   0.634% *  0.0579% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG    LYS+  66  15.46 +/- 4.89   0.703% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QG    LYS+  66  11.68 +/- 1.53   0.482% *  0.0418% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.04 +/- 1.18   2.629% *  0.0035% (0.04   1.0  1.00   0.02   0.51) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.39 +/- 2.42   0.124% *  0.0664% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  18.39 +/- 2.95   0.137% *  0.0421% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   8.75 +/- 1.98   1.530% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  18.92 +/- 5.24   0.301% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  17.45 +/- 2.91   0.190% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.49 +/- 2.80   0.188% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  20.27 +/- 3.92   0.186% *  0.0035% (0.04   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 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 = 0.985, support = 4.24, residual support = 113.2:
    * O T QD    LYS+  66 - QG    LYS+  66   2.07 +/- 0.03  65.763% * 79.3612% (1.00  10.0 10.00   4.22 117.31) =  95.331%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.14 +/- 1.98  17.489% * 13.5219% (0.73   1.0  1.00   4.69  29.94) =   4.320%  kept
        T QD    LYS+  66 - HG    LEU   67   6.80 +/- 1.27   3.022% *  6.1093% (0.08   1.0 10.00   4.19  14.70) =   0.337%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  14.81 +/- 4.27   0.617% *  0.6355% (0.80   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LYS+  74 - HG    LEU   67   9.55 +/- 3.18   3.318% *  0.0229% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HG    LEU   67  16.61 +/- 6.07   1.324% *  0.0489% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66   9.98 +/- 2.68   1.121% *  0.0418% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QG    LYS+  66  10.31 +/- 2.21   0.871% *  0.0298% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  15.92 +/- 4.16   0.441% *  0.0545% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  17.94 +/- 4.06   0.408% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  14.20 +/- 2.23   0.295% *  0.0513% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  10.20 +/- 3.34   2.219% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.16 +/- 1.36   1.544% *  0.0044% (0.06   1.0  1.00   0.02   0.51) =   0.000%
          HG    LEU  104 - QG    LYS+  66  18.34 +/- 2.70   0.120% *  0.0545% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  17.94 +/- 5.90   0.688% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  13.70 +/- 2.29   0.339% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  16.50 +/- 4.20   0.289% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.83 +/- 4.08   0.134% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 117.1:
    * O T QE    LYS+  66 - QG    LYS+  66   2.13 +/- 0.11  89.060% * 92.5373% (1.00  10.0 10.00   3.75 117.31) =  99.752%  kept
        T QE    LYS+  66 - HG    LEU   67   7.44 +/- 1.12   2.857% *  7.1236% (0.08   1.0 10.00   3.86  14.70) =   0.246%  kept
        T HB2   ASP-  76 - QG    LYS+  66  13.88 +/- 2.81   0.489% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.65 +/- 1.59   1.224% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.71 +/- 2.02   5.530% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  20.50 +/- 2.23   0.133% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  14.72 +/- 3.15   0.512% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.48 +/- 2.84   0.195% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 117.3:
    *   T HA    LYS+  66 - QD    LYS+  66   3.08 +/- 0.70  94.363% * 99.8184% (1.00 10.00   4.42 117.31) =  99.998%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  17.31 +/- 4.12   1.063% *  0.1241% (0.12 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QD    LYS+  66  14.17 +/- 3.97   2.001% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  19.99 +/- 3.61   0.921% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  21.78 +/- 2.49   0.359% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  21.72 +/- 5.18   0.681% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  26.40 +/- 7.42   0.327% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  24.85 +/- 3.07   0.286% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.976, support = 4.67, residual support = 112.5:
    * O T QB    LYS+  66 - QD    LYS+  66   2.22 +/- 0.16  80.668% * 63.5425% (1.00  10.0 10.00   4.63 117.31) =  94.438%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.48 +/- 0.86   8.383% * 35.9749% (0.57   1.0 10.00   5.34  29.94) =   5.556%  kept
        T QB    LYS+  66 - HD2   LYS+ 121  14.50 +/- 4.15   1.329% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QD    LYS+  66  15.88 +/- 4.58   1.381% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QD    LYS+  66  16.40 +/- 4.87   0.653% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  17.41 +/- 4.35   0.624% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.52 +/- 1.81   0.624% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.13 +/- 2.24   0.462% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.43 +/- 1.82   0.320% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  19.43 +/- 2.54   0.148% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.41 +/- 0.93   1.736% *  0.0045% (0.07   1.0  1.00   0.02   2.44) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  20.74 +/- 2.32   0.121% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  17.84 +/- 7.37   0.698% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  17.51 +/- 4.38   1.103% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  16.99 +/- 8.28   0.570% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  17.80 +/- 8.35   0.405% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  18.83 +/- 6.62   0.500% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.01 +/- 3.20   0.274% *  0.0071% (0.11   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 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.989, support = 4.21, residual support = 115.0:
    * O T QG    LYS+  66 - QD    LYS+  66   2.07 +/- 0.03  69.679% * 65.9123% (1.00  10.0 10.00   4.22 117.31) =  97.776%  kept
        T HG    LEU   67 - QD    LYS+  66   6.80 +/- 1.27   3.249% * 24.7376% (0.38   1.0 10.00   4.19  14.70) =   1.711%  kept
          HB3   LEU   67 - QD    LYS+  66   6.75 +/- 0.92   2.658% *  8.7446% (0.95   1.0  1.00   2.80  14.70) =   0.495%  kept
          QB    ALA  110 - QD    LYS+  66  15.10 +/- 4.92  12.891% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.011%
          QB    ALA   61 - QD    LYS+  66   8.59 +/- 1.39   1.463% *  0.0551% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HD2   LYS+ 121  14.81 +/- 4.27   0.643% *  0.0820% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD    LYS+  66  14.41 +/- 3.90   1.327% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HD2   LYS+ 121  16.61 +/- 6.07   1.380% *  0.0308% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HD2   LYS+ 121  15.19 +/- 7.73   1.053% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  11.23 +/- 0.75   0.461% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  14.53 +/- 1.43   0.218% *  0.0624% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.11 +/- 2.15   0.309% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  13.04 +/- 1.44   0.325% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  16.93 +/- 5.97   1.232% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.18 +/- 6.07   1.225% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  11.47 +/- 2.76   0.885% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  18.45 +/- 3.20   0.126% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  23.75 +/- 2.82   0.053% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  18.49 +/- 2.99   0.121% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.43 +/- 2.13   0.273% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  21.03 +/- 9.18   0.160% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  21.47 +/- 4.66   0.116% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  23.57 +/- 4.10   0.085% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  23.25 +/- 3.38   0.070% *  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 = 3.78, residual support = 117.3:
    * O T QE    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  95.986% * 99.4957% (1.00  10.0 10.00   3.78 117.31) =  99.997%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  15.38 +/- 4.47   0.824% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  66  14.68 +/- 2.70   0.406% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.08 +/- 1.45   1.082% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  21.23 +/- 2.87   0.137% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  20.74 +/- 4.04   0.346% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  18.82 +/- 7.15   1.098% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.85 +/- 7.42   0.121% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 117.3:
    *   T HA    LYS+  66 - QE    LYS+  66   4.04 +/- 0.81  76.961% * 99.7309% (1.00 10.00   4.25 117.31) =  99.990%  kept
        T HA    LYS+  66 - HB2   ASP-  76  15.03 +/- 3.24   3.059% *  0.2073% (0.21 10.00   0.02   0.02) =   0.008%
          HA1   GLY   16 - QE    LYS+  66  14.60 +/- 3.87   3.422% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.27 +/- 1.30  13.578% *  0.0032% (0.03  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QE    LYS+  66  20.53 +/- 3.71   1.031% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  22.41 +/- 2.26   0.626% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.66 +/- 4.43   0.927% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.39 +/- 1.90   0.396% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.45, residual support = 114.7:
    *   T QB    LYS+  66 - QE    LYS+  66   2.90 +/- 0.54  68.784% * 87.7185% (1.00 10.00   4.45 117.31) =  97.013%  kept
          QB    LYS+  65 - QE    LYS+  66   6.01 +/- 0.97  16.016% * 11.5565% (0.57  1.00   4.65  29.94) =   2.976%  kept
        T QB    LYS+  66 - HB2   ASP-  76  13.59 +/- 2.25   0.877% *  0.1824% (0.21 10.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - QE    LYS+  66  16.08 +/- 4.41   1.733% *  0.0787% (0.90  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QE    LYS+  66  15.79 +/- 5.33   1.778% *  0.0497% (0.57  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  17.23 +/- 3.97   1.558% *  0.0497% (0.57  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  13.11 +/- 1.76   1.072% *  0.0462% (0.53  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  66  16.12 +/- 1.93   0.498% *  0.0830% (0.95  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB2   ASP-  76  11.15 +/- 2.95   2.537% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  19.89 +/- 2.80   0.325% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  13.85 +/- 2.61   1.034% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  21.14 +/- 2.69   0.263% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  17.27 +/- 2.58   0.854% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  15.20 +/- 1.36   0.635% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  20.31 +/- 3.04   0.601% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.44 +/- 2.22   0.617% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.32 +/- 2.84   0.496% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  22.46 +/- 5.50   0.322% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.39 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 = 0.992, support = 3.75, residual support = 115.6:
    * O T QG    LYS+  66 - QE    LYS+  66   2.13 +/- 0.11  64.995% * 65.5699% (1.00  10.0 10.00   3.75 117.31) =  98.317%  kept
        T HG    LEU   67 - QE    LYS+  66   7.44 +/- 1.12   2.110% * 24.6091% (0.38   1.0 10.00   3.86  14.70) =   1.198%  kept
          HB3   LEU   67 - QE    LYS+  66   7.35 +/- 1.25   2.215% *  9.1789% (0.95   1.0  1.00   2.96  14.70) =   0.469%  kept
          QB    ALA  110 - QE    LYS+  66  15.04 +/- 5.07   8.635% *  0.0398% (0.61   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU  115 - QE    LYS+  66  14.07 +/- 4.28   2.555% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - QE    LYS+  66   8.77 +/- 1.50   1.217% *  0.0548% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - HB2   ASP-  76   6.33 +/- 2.06   7.396% *  0.0088% (0.13   1.0  1.00   0.02   1.35) =   0.002%
        T QG    LYS+  66 - HB2   ASP-  76  13.88 +/- 2.81   0.361% *  0.1363% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  14.72 +/- 3.15   0.377% *  0.0512% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  11.26 +/- 2.93   1.534% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  15.15 +/- 1.77   0.208% *  0.0620% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.27 +/- 1.51   4.721% *  0.0024% (0.04   1.0  1.00   0.02   1.35) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  14.66 +/- 2.42   0.273% *  0.0345% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.52 +/- 1.38   0.288% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  16.85 +/- 4.04   1.309% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.70 +/- 1.41   0.452% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  18.94 +/- 3.34   0.116% *  0.0424% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  15.00 +/- 2.22   0.254% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  24.27 +/- 3.17   0.053% *  0.0569% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  14.77 +/- 2.44   0.300% *  0.0083% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  15.40 +/- 3.91   0.251% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  19.03 +/- 3.20   0.116% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  23.18 +/- 3.60   0.099% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  17.17 +/- 2.11   0.166% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.78, residual support = 116.4:
    * O T QD    LYS+  66 - QE    LYS+  66   2.10 +/- 0.03  82.046% * 85.5624% (1.00  10.0 10.00   3.78 117.31) =  99.008%  kept
          HG2   LYS+  65 - QE    LYS+  66   6.84 +/- 1.88   5.325% * 13.0587% (0.73   1.0  1.00   4.20  29.94) =   0.981%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  15.38 +/- 4.47   0.706% *  0.6851% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HD3   LYS+  74 - QE    LYS+  66  11.39 +/- 3.05   1.386% *  0.0450% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HB2   ASP-  76  14.68 +/- 2.70   0.345% *  0.1779% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HB2   ASP-  76  20.74 +/- 4.04   0.296% *  0.1424% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  66  11.90 +/- 2.56   1.063% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  16.46 +/- 4.50   0.493% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.62 +/- 1.46   2.929% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  18.65 +/- 4.71   0.470% *  0.0484% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  15.35 +/- 2.59   0.311% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.74 +/- 1.17   2.198% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  12.87 +/- 3.11   0.627% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  12.52 +/- 3.51   0.649% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  19.67 +/- 2.81   0.124% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  19.57 +/- 4.50   0.527% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  21.38 +/- 4.37   0.377% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  20.83 +/- 2.73   0.130% *  0.0122% (0.14   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 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 = 36.4:
    * O T HB2   PRO   68 - HA    PRO   68   2.63 +/- 0.19  98.567% * 98.6006% (0.84  10.0 10.00   2.00  36.42) =  99.992%  kept
        T HB    VAL   24 - HA    PRO   68  21.14 +/- 4.32   0.567% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.007%
          QB    GLN   32 - HA    PRO   68  18.64 +/- 3.37   0.519% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    PRO   68  19.85 +/- 4.27   0.347% *  0.1059% (0.90   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 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.4:
    * O T HA    PRO   68 - HB2   PRO   68   2.63 +/- 0.19  99.428% * 99.1920% (0.84  10.0 10.00   2.00  36.42) =  99.995%  kept
        T HA    PRO   68 - HB    VAL   24  21.14 +/- 4.32   0.572% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.9:
    * O T HB2   ASN   69 - HA    ASN   69   2.60 +/- 0.17  95.749% * 99.7955% (1.00  10.0 10.00   3.63  60.88) =  99.999%  kept
          QE    LYS+  66 - HA    ASN   69   9.74 +/- 1.67   2.476% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  19.16 +/- 2.88   0.331% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  13.59 +/- 2.89   1.215% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  21.98 +/- 3.53   0.229% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.9:
    * O T HB3   ASN   69 - HA    ASN   69   2.75 +/- 0.28  94.888% * 99.7714% (1.00  10.0 10.00   3.31  60.88) =  99.996%  kept
          HB2   PHE   72 - HA    ASN   69  10.28 +/- 1.01   2.119% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASN   69  11.93 +/- 2.54   1.947% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    CYS   50 - HA    ASN   69  18.90 +/- 4.36   1.047% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.9:
    * O T HA    ASN   69 - HB2   ASN   69   2.60 +/- 0.17  99.056% * 99.8126% (1.00  10.0 10.00   3.63  60.88) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  14.33 +/- 1.58   0.727% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  21.41 +/- 2.31   0.217% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.9:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  98.768% * 99.7714% (1.00  10.0 10.00   3.97  60.88) =  99.999%  kept
          QE    LYS+  74 - HB2   ASN   69  13.27 +/- 2.55   0.456% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   ASN   69  11.34 +/- 1.07   0.408% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  19.41 +/- 4.82   0.369% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.9:
    * O T HA    ASN   69 - HB3   ASN   69   2.75 +/- 0.28  98.794% * 99.8126% (1.00  10.0 10.00   3.31  60.88) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  14.19 +/- 1.46   0.957% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  21.40 +/- 2.21   0.249% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.9:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.724% * 99.7955% (1.00  10.0 10.00   3.97  60.88) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.05 +/- 2.18   0.843% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  20.29 +/- 2.55   0.080% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.62 +/- 3.25   0.293% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  22.92 +/- 3.30   0.061% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.999, support = 4.3, residual support = 81.6:
    * O T HB    VAL   70 - HA    VAL   70   2.90 +/- 0.22  80.070% * 97.2460% (1.00  10.0 10.00   4.30  81.62) =  99.947%  kept
        T QG    GLN   17 - HA    VAL   70   9.65 +/- 3.04   3.400% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.042%
        T HB    VAL   70 - HA    SER   48  17.30 +/- 4.04   0.715% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HA    SER   48  18.58 +/- 4.62   0.538% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB2   SER   82  23.37 +/- 4.78   0.206% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   SER   82  23.10 +/- 2.99   0.197% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    VAL   70  13.49 +/- 2.46   1.172% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  18.60 +/- 9.00   1.358% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70  11.63 +/- 2.34   2.379% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  13.80 +/- 4.42   1.357% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   SER   82  15.84 +/- 3.19   0.674% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.95 +/- 1.96   0.253% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48  11.55 +/- 3.97   3.425% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.74 +/- 1.50   1.502% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  16.92 +/- 1.66   0.508% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  22.17 +/- 5.27   0.555% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  15.92 +/- 2.07   0.663% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  27.21 +/- 4.77   0.632% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.04 +/- 4.54   0.157% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  29.00 +/- 5.16   0.110% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  28.14 +/- 4.13   0.129% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 4.81, residual support = 78.2:
    * O T QG1   VAL   70 - HA    VAL   70   2.57 +/- 0.35  58.137% * 79.0021% (1.00  10.0 10.00   4.79  81.62) =  92.822%  kept
          QD1   LEU   71 - HA    VAL   70   4.87 +/- 0.94  18.892% * 18.6240% (0.92   1.0  1.00   5.11  34.07) =   7.111%  kept
        T QG1   VAL   18 - HA    VAL   70   8.56 +/- 3.50   3.010% *  0.7744% (0.98   1.0 10.00   0.02   0.02) =   0.047%
        T QG1   VAL   70 - HA    SER   48  15.12 +/- 4.16   1.136% *  0.1800% (0.23   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU  123 - HA    SER   48  16.60 +/- 4.48   1.109% *  0.1661% (0.21   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   18 - HA    SER   48  13.68 +/- 4.10   0.808% *  0.1764% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HA    SER   48  13.28 +/- 5.82  12.535% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   18 - HB2   SER   82  18.06 +/- 5.64   0.311% *  0.3753% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    VAL   70   9.75 +/- 1.72   1.597% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HB2   SER   82  20.30 +/- 2.37   0.150% *  0.3828% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    VAL   70  15.26 +/- 4.41   0.783% *  0.0729% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  14.73 +/- 4.16   0.672% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   SER   82  20.86 +/- 4.54   0.187% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  24.02 +/- 3.44   0.120% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.35 +/- 2.26   0.214% *  0.0166% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  22.48 +/- 3.04   0.119% *  0.0217% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  24.35 +/- 4.43   0.093% *  0.0232% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  23.72 +/- 3.55   0.128% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.6:
    * O T QG2   VAL   70 - HA    VAL   70   2.33 +/- 0.28  98.671% * 99.2926% (0.80  10.0 10.00   4.00  81.62) =  99.996%  kept
        T QG2   VAL   70 - HA    SER   48  14.83 +/- 3.20   1.077% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   70 - HB2   SER   82  18.89 +/- 2.66   0.253% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.3, residual support = 81.3:
    * O T HA    VAL   70 - HB    VAL   70   2.90 +/- 0.22  52.757% * 95.2033% (1.00  10.0 10.00   4.30  81.62) =  99.186%  kept
          HA    VAL   18 - QG    GLN   17   4.93 +/- 0.65  12.752% *  2.7190% (0.13   1.0  1.00   4.48  49.74) =   0.685%  kept
          HA1   GLY   16 - QG    GLN   17   5.25 +/- 0.57  10.305% *  0.5028% (0.04   1.0  1.00   2.87  17.24) =   0.102%  kept
        T HA    VAL   70 - QG    GLN   17   9.65 +/- 3.04   2.212% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   18 - HB    VAL   70   8.55 +/- 3.51   5.080% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HB    VAL   70  11.33 +/- 2.31   2.985% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T HA    SER   48 - HB    VAL   70  17.30 +/- 4.04   0.466% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - HB    VAL   70  23.10 +/- 2.99   0.130% *  0.5774% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70  10.55 +/- 4.38   2.732% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  15.51 +/- 2.33   0.559% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG    GLN   17  14.03 +/- 3.97   3.116% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB    VAL   70  16.68 +/- 2.61   0.400% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG    GLN   17  10.88 +/- 2.60   3.697% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG    GLN   17  12.83 +/- 2.75   1.731% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  17.24 +/- 2.26   0.366% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.58 +/- 4.62   0.359% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.37 +/- 4.78   0.135% *  0.1073% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.90 +/- 3.23   0.218% *  0.0177% (0.19   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 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 = 0.995, support = 5.15, residual support = 80.9:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.02  67.400% * 77.1798% (1.00  10.0 10.00   5.15  81.62) =  98.344%  kept
          QD1   LEU   71 - HB    VAL   70   6.71 +/- 0.86   3.016% * 19.2874% (0.92   1.0  1.00   5.41  34.07) =   1.100%  kept
          QG1   VAL   18 - QG    GLN   17   5.03 +/- 0.88   9.169% *  3.1087% (0.18   1.0  1.00   4.42  49.74) =   0.539%  kept
          QG1   VAL   18 - HB    VAL   70   7.56 +/- 3.40   4.704% *  0.0757% (0.98   1.0  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   70 - QG    GLN   17   8.68 +/- 1.94   1.465% *  0.1434% (0.19   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   63 - HB    VAL   70   7.37 +/- 1.79   4.481% *  0.0437% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QG    GLN   17   7.90 +/- 4.03   4.404% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB    VAL   70  14.06 +/- 3.99   0.725% *  0.0712% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG    GLN   17  11.62 +/- 2.66   3.685% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  14.72 +/- 3.78   0.362% *  0.0468% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  16.13 +/- 3.86   0.325% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.83 +/- 4.50   0.263% *  0.0087% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 81.6:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  97.767% * 99.8146% (0.80  10.0 10.00   4.30  81.62) =  99.996%  kept
        T QG2   VAL   70 - QG    GLN   17   8.35 +/- 2.07   2.233% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.05 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 = 4.79, residual support = 81.5:
    * O T HA    VAL   70 - QG1   VAL   70   2.57 +/- 0.35  73.413% * 98.1637% (1.00  10.0 10.00   4.79  81.62) =  99.899%  kept
        T HA    VAL   18 - QG1   VAL   70   8.21 +/- 2.67   8.985% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.084%
          HB2   SER   37 - QG1   VAL   70   9.74 +/- 2.49   9.499% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.006%
        T HA    SER   48 - QG1   VAL   70  15.12 +/- 4.16   1.455% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   SER   82 - QG1   VAL   70  20.30 +/- 2.37   0.197% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG1   VAL   70  13.47 +/- 2.68   1.081% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   70  13.72 +/- 2.82   0.812% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG1   VAL   70   9.18 +/- 3.39   3.985% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  15.19 +/- 2.50   0.574% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 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 = 5.15, residual support = 81.6:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.02  92.817% * 98.7774% (1.00  10.0 10.00   5.15  81.62) =  99.976%  kept
        T QG    GLN   17 - QG1   VAL   70   8.68 +/- 1.94   2.024% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.022%
          HB2   MET   96 - QG1   VAL   70  10.89 +/- 2.39   1.340% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - QG1   VAL   70  11.28 +/- 2.67   2.582% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG1   VAL   70  12.65 +/- 3.06   0.649% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.08 +/- 2.37   0.206% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  13.80 +/- 1.38   0.382% *  0.0246% (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 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 = 4.79, residual support = 81.6:
    * O T QG2   VAL   70 - QG1   VAL   70   2.04 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.79  81.62) = 100.000%  kept
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 3.99, residual support = 81.5:
    * O T HA    VAL   70 - QG2   VAL   70   2.33 +/- 0.28  75.437% * 97.3654% (0.54  10.0 10.00   4.00  81.62) =  99.815%  kept
          HA    VAL   18 - QG2   VAL   70   6.99 +/- 2.79   8.483% *  1.4821% (0.37   1.0  1.00   0.44   0.02) =   0.171%  kept
          HB2   SER   37 - QG2   VAL   70   8.47 +/- 1.98  10.171% *  0.0474% (0.26   1.0  1.00   0.02   0.02) =   0.007%
        T HA    SER   48 - QG2   VAL   70  14.83 +/- 3.20   0.815% *  0.2428% (0.13   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   SER   82 - QG2   VAL   70  18.89 +/- 2.66   0.194% *  0.5906% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   70  11.85 +/- 1.81   0.768% *  0.0845% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70   8.71 +/- 3.19   3.065% *  0.0193% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   70  13.88 +/- 1.98   0.545% *  0.0974% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.36 +/- 1.69   0.523% *  0.0707% (0.39   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 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.3, residual support = 81.6:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  92.258% * 98.7774% (0.54  10.0 10.00   4.30  81.62) =  99.975%  kept
        T QG    GLN   17 - QG2   VAL   70   8.35 +/- 2.07   2.107% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.023%
          HB2   MET   96 - QG2   VAL   70   9.24 +/- 2.19   2.110% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - QG2   VAL   70  10.15 +/- 2.04   1.873% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70  11.10 +/- 2.89   0.955% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.39 +/- 1.70   0.241% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  12.70 +/- 0.92   0.456% *  0.0246% (0.13   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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.8, residual support = 80.5:
    * O T QG1   VAL   70 - QG2   VAL   70   2.04 +/- 0.06  80.136% * 77.5195% (0.54  10.0 10.00   4.79  81.62) =  97.821%  kept
          QD1   LEU   71 - QG2   VAL   70   5.23 +/- 0.69   6.074% * 20.6647% (0.50   1.0  1.00   5.78  34.07) =   1.976%  kept
          QG1   VAL   18 - QG2   VAL   70   6.34 +/- 2.66   7.612% *  1.6533% (0.53   1.0  1.00   0.44   0.02) =   0.198%  kept
          HB3   LEU   63 - QG2   VAL   70   6.86 +/- 1.32   4.032% *  0.0439% (0.30   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QG2   VAL   70  11.69 +/- 3.31   1.098% *  0.0716% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QG2   VAL   70  10.78 +/- 3.16   1.049% *  0.0470% (0.33   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 139.4:
    * O T HB2   LEU   71 - HA    LEU   71   2.72 +/- 0.27  82.047% * 99.5520% (1.00  10.0 10.00   5.31 139.38) =  99.987%  kept
          HB3   GLN   17 - HA    LEU   71   8.48 +/- 4.84   6.634% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HA    LEU   71   9.10 +/- 1.50   3.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - HA    LEU   71   7.70 +/- 1.16   4.848% *  0.0340% (0.34   1.0  1.00   0.02   2.94) =   0.002%
          QB    LYS+  66 - HA    LEU   71   9.74 +/- 1.10   2.102% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LEU   71  16.76 +/- 2.43   0.417% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.79 +/- 2.25   0.286% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.98 +/- 2.35   0.664% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.4:
    * O T HB3   LEU   71 - HA    LEU   71   2.46 +/- 0.25  98.210% * 99.6783% (1.00  10.0 10.00   4.31 139.38) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  14.13 +/- 1.23   0.661% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  21.47 +/- 4.22   0.251% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  21.53 +/- 4.15   0.303% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  19.34 +/- 3.30   0.429% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.37 +/- 3.45   0.146% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 4.2, residual support = 130.3:
    *   T QD1   LEU   71 - HA    LEU   71   3.85 +/- 0.29  46.999% * 81.2298% (1.00 10.00   4.17 139.38) =  91.538%  kept
          QG1   VAL   70 - HA    LEU   71   5.35 +/- 0.50  18.748% * 17.9735% (0.92  1.00   4.79  34.07) =   8.080%  kept
          QG1   VAL   18 - HA    LEU   71   6.96 +/- 4.59  25.156% *  0.6200% (0.84  1.00   0.18   0.02) =   0.374%  kept
          HB3   LEU   63 - HA    LEU   71  10.35 +/- 2.32   6.615% *  0.0277% (0.34  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HA    LEU   71  16.14 +/- 4.10   1.663% *  0.0812% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - HA    LEU   71  16.33 +/- 2.93   0.820% *  0.0678% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.96, residual support = 138.0:
    *   T QD2   LEU   71 - HA    LEU   71   2.77 +/- 0.62  59.762% * 94.7789% (1.00 10.00   5.00 139.38) =  99.027%  kept
          QD1   LEU   67 - HA    LEU   71   5.38 +/- 1.81  26.754% *  1.6846% (0.45  1.00   0.79   0.02) =   0.788%  kept
          HG3   LYS+  74 - HA    LEU   71  10.23 +/- 1.99   2.148% *  2.8456% (0.69  1.00   0.87   0.22) =   0.107%  kept
          QD2   LEU   40 - HA    LEU   71   6.68 +/- 1.48   9.345% *  0.4621% (0.41  1.00   0.24   1.92) =   0.075%
          QG2   ILE  119 - HA    LEU   71  15.17 +/- 3.36   0.813% *  0.0822% (0.87  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    LEU   71  13.69 +/- 2.04   0.603% *  0.0929% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  13.81 +/- 1.86   0.575% *  0.0537% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.4:
    * O T HA    LEU   71 - HB2   LEU   71   2.72 +/- 0.27  94.972% * 99.9402% (1.00  10.0 10.00   5.31 139.38) =  99.999%  kept
          HA    VAL   43 - HB2   LEU   71  10.33 +/- 2.08   3.765% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB2   LEU   71  12.72 +/- 3.03   1.263% *  0.0375% (0.38   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 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.506% * 99.6783% (1.00  10.0 10.00   4.97 139.38) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  15.02 +/- 1.86   0.191% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  22.89 +/- 4.32   0.066% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  22.84 +/- 4.40   0.080% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  20.49 +/- 4.00   0.111% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  25.59 +/- 3.88   0.046% *  0.0447% (0.45   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 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 5.09, residual support = 137.8:
    * O T QD1   LEU   71 - HB2   LEU   71   2.34 +/- 0.18  87.992% * 79.4436% (1.00  10.0 10.00   5.09 139.38) =  98.490%  kept
          QG1   VAL   70 - HB2   LEU   71   6.09 +/- 0.50   5.281% * 19.7772% (0.92   1.0  1.00   5.39  34.07) =   1.472%  kept
          QG1   VAL   18 - HB2   LEU   71   8.62 +/- 4.20   4.213% *  0.6063% (0.84   1.0  1.00   0.18   0.02) =   0.036%
          QD1   LEU  123 - HB2   LEU   71  16.86 +/- 4.62   1.178% *  0.0794% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU   71  15.78 +/- 3.47   0.400% *  0.0664% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  12.35 +/- 2.28   0.936% *  0.0271% (0.34   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 5.4, residual support = 138.4:
    * O T QD2   LEU   71 - HB2   LEU   71   3.10 +/- 0.29  61.913% * 96.7244% (1.00  10.0 10.00   5.43 139.38) =  99.314%  kept
          QD2   LEU   40 - HB2   LEU   71   6.21 +/- 1.99  19.054% *  1.2565% (0.41   1.0  1.00   0.63   1.92) =   0.397%  kept
          QD1   LEU   67 - HB2   LEU   71   7.16 +/- 1.55   9.699% *  1.7192% (0.45   1.0  1.00   0.79   0.02) =   0.277%  kept
          QG2   ILE  119 - HB2   LEU   71  16.07 +/- 3.86   5.755% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          QD1   ILE  103 - HB2   LEU   71  13.48 +/- 2.90   1.149% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB2   LEU   71  12.43 +/- 2.14   1.330% *  0.0664% (0.69   1.0  1.00   0.02   0.22) =   0.001%
          QG2   ILE  103 - HB2   LEU   71  13.65 +/- 2.69   1.102% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.4:
    * O T HA    LEU   71 - HB3   LEU   71   2.46 +/- 0.25  96.431% * 99.9402% (1.00  10.0 10.00   4.31 139.38) =  99.999%  kept
          HA    ALA   20 - HB3   LEU   71  11.95 +/- 3.22   1.401% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB3   LEU   71  10.39 +/- 1.58   2.168% *  0.0223% (0.22   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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  94.911% * 99.3538% (1.00  10.0 10.00   4.97 139.38) =  99.997%  kept
          HB3   GLN   17 - HB3   LEU   71   8.98 +/- 4.85   1.853% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   7.55 +/- 1.26   1.930% *  0.0339% (0.34   1.0  1.00   0.02   2.94) =   0.001%
          QB    LYS+  65 - HB3   LEU   71  10.86 +/- 1.72   0.534% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  15.22 +/- 2.93   0.196% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.55 +/- 1.25   0.381% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  16.48 +/- 2.83   0.136% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.58 +/- 2.27   0.059% *  0.0796% (0.80   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 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.86, residual support = 137.7:
    * O T QD1   LEU   71 - HB3   LEU   71   2.48 +/- 0.35  85.550% * 81.2001% (1.00  10.0 10.00   3.85 139.38) =  98.440%  kept
          QG1   VAL   70 - HB3   LEU   71   6.55 +/- 0.46   5.924% * 18.0034% (0.92   1.0  1.00   4.80  34.07) =   1.511%  kept
          QG1   VAL   18 - HB3   LEU   71   8.35 +/- 4.26   5.277% *  0.6197% (0.84   1.0  1.00   0.18   0.02) =   0.046%
          QD1   LEU  123 - HB3   LEU   71  17.20 +/- 4.39   1.164% *  0.0812% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  12.44 +/- 2.38   1.682% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU   71  16.53 +/- 3.11   0.403% *  0.0678% (0.84   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 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 138.9:
    * O T QD2   LEU   71 - HB3   LEU   71   2.48 +/- 0.27  68.633% * 97.4896% (1.00  10.0 10.00   4.43 139.38) =  99.631%  kept
          QD1   LEU   67 - HB3   LEU   71   7.14 +/- 1.76   9.355% *  1.7328% (0.45   1.0  1.00   0.79   0.02) =   0.241%  kept
          QD2   LEU   40 - HB3   LEU   71   6.85 +/- 2.10  17.338% *  0.4753% (0.41   1.0  1.00   0.24   1.92) =   0.123%  kept
          HG3   LYS+  74 - HB3   LEU   71  11.93 +/- 2.03   2.189% *  0.0670% (0.69   1.0  1.00   0.02   0.22) =   0.002%
          QG2   ILE  119 - HB3   LEU   71  16.38 +/- 3.60   1.439% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB3   LEU   71  13.90 +/- 2.58   0.557% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  14.17 +/- 2.30   0.489% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 139.4:
    *   T HA    LEU   71 - QD1   LEU   71   3.85 +/- 0.29  88.345% * 99.9402% (1.00 10.00   4.17 139.38) =  99.996%  kept
          HA    ALA   20 - QD1   LEU   71  11.81 +/- 2.59   4.342% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD1   LEU   71  10.04 +/- 1.61   7.314% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 139.4:
    * O T HB2   LEU   71 - QD1   LEU   71   2.34 +/- 0.18  84.509% * 99.5520% (1.00  10.0 10.00   5.09 139.38) =  99.991%  kept
          HB    VAL   41 - QD1   LEU   71   6.91 +/- 1.53   7.704% *  0.0340% (0.34   1.0  1.00   0.02   2.94) =   0.003%
          HB3   GLN   17 - QD1   LEU   71   8.65 +/- 4.13   4.045% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - QD1   LEU   71  10.40 +/- 1.62   1.268% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.73 +/- 1.22   0.984% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  13.75 +/- 2.84   0.531% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD1   LEU   71  13.18 +/- 3.00   0.783% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  19.37 +/- 1.95   0.175% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 3.85, residual support = 139.4:
    * O T HB3   LEU   71 - QD1   LEU   71   2.48 +/- 0.35  97.729% * 99.6783% (1.00  10.0 10.00   3.85 139.38) =  99.998%  kept
          QG2   THR   94 - QD1   LEU   71  13.75 +/- 1.44   0.726% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD1   LEU   71  20.42 +/- 3.93   0.558% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  20.46 +/- 3.82   0.372% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  18.38 +/- 3.56   0.372% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  22.79 +/- 3.34   0.242% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.27, residual support = 138.9:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.05  75.841% * 97.7568% (1.00  10.0 10.00   4.29 139.38) =  99.622%  kept
          QD2   LEU   40 - QD1   LEU   71   5.91 +/- 1.52  14.490% *  1.8963% (0.41   1.0  1.00   0.94   1.92) =   0.369%  kept
          QG2   ILE  119 - QD1   LEU   71  14.40 +/- 3.40   4.545% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - QD1   LEU   71   7.02 +/- 1.40   3.211% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QD1   LEU   71  12.00 +/- 2.58   0.701% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - QD1   LEU   71  11.68 +/- 1.62   0.671% *  0.0671% (0.69   1.0  1.00   0.02   0.22) =   0.001%
          QG2   ILE  103 - QD1   LEU   71  12.27 +/- 2.33   0.541% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.4:
    *   T HA    LEU   71 - QD2   LEU   71   2.77 +/- 0.62  91.036% * 99.9402% (1.00 10.00   5.00 139.38) =  99.997%  kept
          HA    ALA   20 - QD2   LEU   71  10.09 +/- 2.70   3.637% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - QD2   LEU   71   8.79 +/- 1.41   5.327% *  0.0223% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.08 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 139.3:
    * O T HB2   LEU   71 - QD2   LEU   71   3.10 +/- 0.29  67.779% * 99.3538% (1.00  10.0 10.00   5.43 139.38) =  99.969%  kept
          HB3   GLN   17 - QD2   LEU   71   7.94 +/- 4.15  13.156% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.013%
          QB    LYS+  65 - QD2   LEU   71   9.23 +/- 1.49   4.370% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL   41 - QD2   LEU   71   6.52 +/- 1.31   9.818% *  0.0339% (0.34   1.0  1.00   0.02   2.94) =   0.005%
        T HG12  ILE  103 - QD2   LEU   71  13.06 +/- 2.28   1.143% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - QD2   LEU   71   9.91 +/- 0.94   2.488% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD2   LEU   71  14.11 +/- 2.40   0.847% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD2   LEU   71  18.12 +/- 1.85   0.399% *  0.0796% (0.80   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 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 139.4:
    * O T HB3   LEU   71 - QD2   LEU   71   2.48 +/- 0.27  97.263% * 99.2790% (1.00  10.0 10.00   4.43 139.38) =  99.997%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  21.88 +/- 2.92   0.196% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  12.95 +/- 1.12   0.893% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  19.47 +/- 3.70   0.368% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  17.28 +/- 3.18   0.905% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  19.44 +/- 3.56   0.374% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.29, residual support = 137.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.05  82.538% * 81.2096% (1.00  10.0 10.00   4.29 139.38) =  98.450%  kept
          QG1   VAL   70 - QD2   LEU   71   5.59 +/- 1.02   5.689% * 17.9938% (0.92   1.0  1.00   4.80  34.07) =   1.504%  kept
          QG1   VAL   18 - QD2   LEU   71   7.10 +/- 3.60   4.639% *  0.6198% (0.84   1.0  1.00   0.18   0.02) =   0.042%
          HB3   LEU   63 - QD2   LEU   71  10.32 +/- 2.18   5.909% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU   71  14.43 +/- 3.43   0.927% *  0.0812% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU   71  14.30 +/- 2.52   0.296% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.01, residual support = 90.1:
    * O T HB2   PHE   72 - HA    PHE   72   2.55 +/- 0.12  92.586% * 93.5065% (0.64  10.0 10.00   4.02  90.32) =  99.537%  kept
          HA    ALA   64 - HA    PHE   72   7.22 +/- 1.02   6.236% *  6.4515% (0.55   1.0  1.00   1.59  46.55) =   0.463%  kept
          HB3   ASN   69 - HA    PHE   72  11.20 +/- 0.71   1.178% *  0.0420% (0.29   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 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.57, residual support = 90.3:
    * O T HB3   PHE   72 - HA    PHE   72   2.53 +/- 0.12  90.610% * 99.4196% (0.66  10.0 10.00   4.57  90.32) =  99.990%  kept
          HB2   ASP-  44 - HA    PHE   72   8.56 +/- 1.62   3.411% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU-  15 - HA    PHE   72  10.18 +/- 3.59   2.488% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HA    PHE   72  12.59 +/- 3.48   1.384% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - HA    PHE   72  18.08 +/- 3.52   0.379% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  16.55 +/- 2.93   0.573% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  18.66 +/- 1.86   0.256% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.64 +/- 2.09   0.899% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.02, residual support = 90.3:
    * O T HA    PHE   72 - HB2   PHE   72   2.55 +/- 0.12 100.000% *100.0000% (0.64  10.0 10.00   4.02  90.32) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.21, residual support = 90.3:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  95.565% * 99.4196% (0.72  10.0 10.00   4.21  90.32) =  99.995%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.96 +/- 1.31   2.954% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HB2   PHE   72  11.44 +/- 2.63   0.466% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HB2   PHE   72  13.74 +/- 2.97   0.335% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  14.99 +/- 2.39   0.212% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  17.41 +/- 1.79   0.110% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  19.32 +/- 3.24   0.100% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.30 +/- 1.54   0.258% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.57, residual support = 90.3:
    * O T HA    PHE   72 - HB3   PHE   72   2.53 +/- 0.12 100.000% *100.0000% (0.66  10.0 10.00   4.57  90.32) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 4.21, residual support = 90.0:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  94.651% * 88.0788% (0.72  10.0 10.00   4.21  90.32) =  99.319%  kept
          HA    ALA   64 - HB3   PHE   72   5.92 +/- 0.90   4.810% * 11.8816% (0.63   1.0  1.00   3.10  46.55) =   0.681%  kept
          HB3   ASN   69 - HB3   PHE   72  10.10 +/- 0.85   0.539% *  0.0396% (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 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 = 170.8:
    * O T HB2   LEU   73 - HA    LEU   73   2.38 +/- 0.18  96.106% * 99.4108% (1.00  10.0 10.00   5.00 170.83) =  99.997%  kept
          QD    LYS+  99 - HA    LEU   73  14.11 +/- 2.35   0.578% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  14.96 +/- 2.00   0.478% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.21 +/- 2.22   0.349% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.99 +/- 3.28   0.639% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.83 +/- 2.37   0.380% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  14.53 +/- 2.25   0.607% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.89 +/- 4.14   0.199% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  21.74 +/- 3.82   0.197% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.25 +/- 2.14   0.467% *  0.0221% (0.22   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.994, support = 5.22, residual support = 168.9:
    * O T HB3   LEU   73 - HA    LEU   73   2.67 +/- 0.24  67.394% * 91.7946% (1.00  10.0 10.00   5.25 170.83) =  98.677%  kept
          HB3   LYS+  74 - HA    LEU   73   4.86 +/- 0.44  12.886% *  3.5072% (0.18   1.0  1.00   4.36  41.39) =   0.721%  kept
          HB    VAL   42 - HA    LEU   73   7.49 +/- 1.85   9.209% *  4.0395% (0.99   1.0  1.00   0.89   1.52) =   0.593%  kept
          HG3   LYS+  65 - HA    LEU   73  10.65 +/- 1.90   1.559% *  0.0910% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    LEU   73  10.90 +/- 2.83   1.441% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HA    LEU   73  10.65 +/- 1.86   1.646% *  0.0345% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  15.87 +/- 4.19   0.787% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  20.12 +/- 4.44   0.509% *  0.0900% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    LEU   73  19.00 +/- 2.73   0.391% *  0.0916% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  15.71 +/- 2.20   0.417% *  0.0847% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   73  11.71 +/- 2.25   1.496% *  0.0229% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   73  14.80 +/- 2.46   0.528% *  0.0345% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.85 +/- 1.75   0.577% *  0.0313% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.68 +/- 5.90   0.964% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  20.80 +/- 3.60   0.197% *  0.0161% (0.18   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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 164.7:
    *   T QD1   LEU   73 - HA    LEU   73   3.78 +/- 0.38  64.046% * 85.0195% (1.00 10.00   5.22 170.83) =  96.422%  kept
        T QD1   LEU   63 - HA    LEU   73   9.40 +/- 2.37  14.246% * 13.6065% (1.00 10.00   0.32   0.02) =   3.433%  kept
          QD2   LEU   63 - HA    LEU   73   9.06 +/- 1.74   8.862% *  0.7387% (0.57  1.00   0.31   0.02) =   0.116%  kept
        T QD1   LEU  104 - HA    LEU   73  12.70 +/- 2.67   2.376% *  0.4813% (0.57 10.00   0.02   0.02) =   0.020%
          QD2   LEU   80 - HA    LEU   73  10.92 +/- 3.24   5.396% *  0.0681% (0.80  1.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HA    LEU   73  14.21 +/- 2.30   1.531% *  0.0710% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU   73  11.76 +/- 2.81   3.543% *  0.0149% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.17, residual support = 170.6:
    *   T QD2   LEU   73 - HA    LEU   73   2.89 +/- 0.52  73.791% * 98.8019% (1.00 10.00   6.18 170.83) =  99.876%  kept
          QG1   VAL   43 - HA    LEU   73   6.66 +/- 1.90  12.405% *  0.6328% (0.28  1.00   0.46   7.51) =   0.108%  kept
        T HG3   LYS+ 121 - HA    LEU   73  19.67 +/- 5.48   1.272% *  0.3370% (0.34 10.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HA    LEU   73   7.37 +/- 1.22   8.065% *  0.0443% (0.45  1.00   0.02   0.02) =   0.005%
          HG    LEU   31 - HA    LEU   73   9.51 +/- 2.07   3.625% *  0.0954% (0.97  1.00   0.02   2.12) =   0.005%
          QD1   ILE   56 - HA    LEU   73  14.47 +/- 2.22   0.841% *  0.0886% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.15 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.8:
    * O T HA    LEU   73 - HB2   LEU   73   2.38 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.83) = 100.000%  kept
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 0.999, support = 5.25, residual support = 170.6:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  90.012% * 92.1923% (1.00  10.0 10.00   5.25 170.83) =  99.836%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.64 +/- 0.72   3.363% *  3.5265% (0.18   1.0  1.00   4.37  41.39) =   0.143%  kept
        T HG3   LYS+  33 - HB2   LEU   73  10.60 +/- 3.34   0.793% *  0.8897% (0.97   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  65 - HB2   LEU   73  11.93 +/- 1.99   0.393% *  0.9138% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HB2   LEU   73   8.29 +/- 1.94   1.922% *  0.0914% (0.99   1.0  1.00   0.02   1.52) =   0.002%
        T HG3   LYS+ 102 - HB2   LEU   73  18.43 +/- 2.93   0.181% *  0.9199% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HB2   LEU   73  15.28 +/- 2.55   0.183% *  0.8510% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   93 - HB2   LEU   73  14.76 +/- 3.22   0.329% *  0.3460% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HB2   LEU   73  10.30 +/- 2.20   0.768% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  11.37 +/- 2.52   0.814% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.31 +/- 4.41   0.299% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  20.33 +/- 4.99   0.146% *  0.0904% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  13.35 +/- 1.85   0.253% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.07 +/- 6.34   0.472% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  21.18 +/- 3.89   0.072% *  0.0161% (0.18   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 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 169.7:
    * O T QD1   LEU   73 - HB2   LEU   73   2.31 +/- 0.26  86.999% * 85.6106% (1.00  10.0 10.00   5.20 170.83) =  99.350%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.38 +/- 2.48   3.488% * 13.7012% (1.00   1.0 10.00   0.32   0.02) =   0.637%  kept
        T QD1   LEU  104 - HB2   LEU   73  12.64 +/- 2.91   1.013% *  0.4847% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB2   LEU   73  10.17 +/- 3.71   2.570% *  0.0686% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   LEU   73  10.03 +/- 1.93   3.424% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   LEU   73  14.49 +/- 2.81   1.122% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU   73  11.04 +/- 2.85   1.384% *  0.0150% (0.18   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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 6.14, residual support = 169.1:
    * O T QD2   LEU   73 - HB2   LEU   73   3.06 +/- 0.22  64.882% * 95.3989% (1.00  10.0 10.00   6.18 170.83) =  98.966%  kept
          QG1   VAL   43 - HB2   LEU   73   6.41 +/- 2.44  19.080% *  3.2853% (0.28   1.0  1.00   2.48   7.51) =   1.002%  kept
        T QD1   ILE   56 - HB2   LEU   73  14.91 +/- 2.84   0.921% *  0.8556% (0.90   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   31 - HB2   LEU   73   8.57 +/- 2.86   5.913% *  0.0921% (0.97   1.0  1.00   0.02   2.12) =   0.009%
          QG1   VAL   41 - HB2   LEU   73   7.61 +/- 1.42   8.314% *  0.0428% (0.45   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - HB2   LEU   73  19.99 +/- 5.96   0.890% *  0.3254% (0.34   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.25, residual support = 170.8:
    * O T HA    LEU   73 - HB3   LEU   73   2.67 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   5.25 170.83) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 170.8:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  98.091% * 98.2609% (1.00  10.0 10.00   5.25 170.83) =  99.997%  kept
        T QD    LYS+ 102 - HB3   LEU   73  17.41 +/- 3.47   0.392% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HB3   LEU   73  22.42 +/- 4.42   0.090% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HB3   LEU   73  14.22 +/- 2.39   0.252% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.03 +/- 2.42   0.245% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.60 +/- 2.47   0.152% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  16.38 +/- 2.65   0.180% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  14.72 +/- 2.65   0.282% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.80 +/- 4.28   0.094% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.97 +/- 2.65   0.222% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.37, residual support = 169.8:
    * O T QD1   LEU   73 - HB3   LEU   73   2.55 +/- 0.36  84.224% * 85.0857% (1.00  10.0 10.00   5.40 170.83) =  99.379%  kept
        T QD1   LEU   63 - HB3   LEU   73   9.95 +/- 2.36   2.950% * 13.6171% (1.00   1.0 10.00   0.32   0.02) =   0.557%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.00 +/- 4.13   4.759% *  0.6813% (0.80   1.0 10.00   0.02   0.02) =   0.045%
        T QD1   LEU  104 - HB3   LEU   73  12.41 +/- 3.17   2.326% *  0.4817% (0.57   1.0 10.00   0.02   0.02) =   0.016%
          QD2   LEU   63 - HB3   LEU   73   9.72 +/- 1.72   2.512% *  0.0482% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   LEU   73  14.21 +/- 2.66   1.115% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73  10.83 +/- 2.96   2.114% *  0.0149% (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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.983, support = 6.52, residual support = 167.0:
    * O T QD2   LEU   73 - HB3   LEU   73   2.76 +/- 0.23  63.297% * 93.8350% (1.00  10.0 10.00   6.67 170.83) =  97.651%  kept
        T QG1   VAL   43 - HB3   LEU   73   5.93 +/- 2.51  25.178% *  5.6281% (0.28   1.0 10.00   0.43   7.51) =   2.330%  kept
        T HG3   LYS+ 121 - HB3   LEU   73  19.70 +/- 6.10   1.708% *  0.3201% (0.34   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   31 - HB3   LEU   73   8.35 +/- 2.43   4.026% *  0.0906% (0.97   1.0  1.00   0.02   2.12) =   0.006%
          QG1   VAL   41 - HB3   LEU   73   7.46 +/- 1.51   4.985% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   73  14.67 +/- 2.60   0.806% *  0.0842% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 164.4:
    *   T HA    LEU   73 - QD1   LEU   73   3.78 +/- 0.38  78.113% * 86.0224% (1.00 10.00   5.22 170.83) =  96.245%  kept
        T HA    LEU   73 - QD1   LEU   63   9.40 +/- 2.37  18.998% * 13.7670% (1.00 10.00   0.32   0.02) =   3.746%  kept
        T HA    LEU   73 - QD1   LEU  104  12.70 +/- 2.67   2.888% *  0.2106% (0.24 10.00   0.02   0.02) =   0.009%
    Distance limit 5.04 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 = 0.957, support = 5.02, residual support = 162.7:
    * O T HB2   LEU   73 - QD1   LEU   73   2.31 +/- 0.26  38.950% * 79.9418% (1.00  10.0 10.00   5.20 170.83) =  94.742%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.78 +/- 0.76  29.195% *  4.3465% (0.05   1.0 10.00   2.00  18.80) =   3.861%  kept
          QD    LYS+  99 - QD1   LEU  104   3.55 +/- 0.81  15.867% *  1.6810% (0.23   1.0  1.00   1.86  18.80) =   0.812%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.38 +/- 2.48   1.458% * 12.7939% (1.00   1.0 10.00   0.32   0.02) =   0.568%  kept
        T HB2   LEU   73 - QD1   LEU  104  12.64 +/- 2.91   0.428% *  0.1957% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QG1   ILE   56 - QD1   LEU   63   7.19 +/- 1.85   2.373% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   LEU   63  12.95 +/- 3.24   0.736% *  0.0771% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU  104   7.68 +/- 1.27   2.314% *  0.0185% (0.23   1.0  1.00   0.02   0.33) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  11.37 +/- 2.36   0.512% *  0.0738% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  15.38 +/- 3.83   0.431% *  0.0717% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU   73  13.72 +/- 3.08   0.923% *  0.0329% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   63  11.57 +/- 2.86   0.574% *  0.0485% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  11.61 +/- 1.93   0.361% *  0.0756% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   63  12.92 +/- 3.07   0.335% *  0.0756% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   63  13.04 +/- 3.21   0.420% *  0.0517% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   63  12.90 +/- 2.73   0.288% *  0.0738% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  14.41 +/- 2.57   0.237% *  0.0771% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   7.14 +/- 1.18   2.137% *  0.0080% (0.10   1.0  1.00   0.02   0.32) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   73  19.07 +/- 4.16   0.192% *  0.0717% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.33 +/- 2.79   0.270% *  0.0485% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.75 +/- 4.08   0.156% *  0.0517% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  12.02 +/- 2.62   0.421% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  13.19 +/- 2.28   0.289% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  15.23 +/- 6.42   0.334% *  0.0127% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  14.43 +/- 2.54   0.198% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  17.49 +/- 2.47   0.099% *  0.0329% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.54 +/- 1.50   0.097% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  18.26 +/- 2.73   0.100% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.00 +/- 1.28   0.103% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  14.63 +/- 3.27   0.201% *  0.0060% (0.08   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 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.992, support = 5.31, residual support = 167.0:
    * O T HB3   LEU   73 - QD1   LEU   73   2.55 +/- 0.36  30.929% * 76.8864% (1.00  10.0 10.00   5.40 170.83) =  97.612%  kept
          HB    VAL   42 - QD1   LEU   73   7.18 +/- 1.99   4.619% *  5.1095% (0.99   1.0  1.00   1.34   1.52) =   0.969%  kept
        T HB3   LEU   73 - QD1   LEU   63   9.95 +/- 2.36   1.045% * 12.3049% (1.00   1.0 10.00   0.32   0.02) =   0.528%  kept
          HB3   LYS+  74 - QD1   LEU   73   5.82 +/- 0.85   4.341% *  2.8427% (0.18   1.0  1.00   4.22  41.39) =   0.507%  kept
          QB    LEU   98 - QD1   LEU  104   5.05 +/- 0.87   6.016% *  1.0451% (0.09   1.0  1.00   2.96   9.79) =   0.258%  kept
          HG    LEU   98 - QD1   LEU  104   5.87 +/- 1.05   4.398% *  0.2850% (0.06   1.0  1.00   1.21   9.79) =   0.051%
          HB2   LYS+ 112 - QD1   LEU   63  11.42 +/- 3.70   6.046% *  0.0754% (0.98   1.0  1.00   0.02   0.02) =   0.019%
          HB    VAL   42 - QD1   LEU   63   7.51 +/- 2.46   3.197% *  0.0762% (0.99   1.0  1.00   0.02   0.02) =   0.010%
        T HB3   LEU   73 - QD1   LEU  104  12.41 +/- 3.17   0.780% *  0.1882% (0.24   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+  65 - QD1   LEU   63   7.88 +/- 1.17   1.702% *  0.0762% (0.99   1.0  1.00   0.02   3.70) =   0.005%
          HG3   LYS+  33 - QD1   LEU   73   8.25 +/- 2.44   1.697% *  0.0742% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QB    LEU   98 - QD1   LEU   73   7.86 +/- 2.11   2.988% *  0.0289% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QD1   LEU   73   8.76 +/- 2.50   3.182% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QD1   LEU  104   7.84 +/- 2.47   2.701% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QD1   LEU   73  16.07 +/- 5.95   3.833% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QD1   LEU   73  14.36 +/- 2.69   0.555% *  0.0767% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QD1   LEU  104   7.56 +/- 1.34   2.252% *  0.0188% (0.24   1.0  1.00   0.02   0.32) =   0.002%
          HG3   LYS+  65 - QD1   LEU   73  11.53 +/- 1.55   0.500% *  0.0762% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   73  12.22 +/- 2.22   0.483% *  0.0710% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   63  10.02 +/- 2.84   1.094% *  0.0289% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.26 +/- 1.01   1.788% *  0.0174% (0.23   1.0  1.00   0.02   0.33) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   63  13.41 +/- 3.53   0.434% *  0.0710% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  12.70 +/- 2.89   0.945% *  0.0289% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  14.22 +/- 2.97   0.365% *  0.0742% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   73  14.07 +/- 3.34   0.530% *  0.0497% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   63   9.35 +/- 2.49   1.507% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU  104  11.33 +/- 8.75   6.831% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD1   LEU   73  17.36 +/- 4.18   0.256% *  0.0754% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.93 +/- 1.72   0.617% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  11.88 +/- 1.95   0.379% *  0.0289% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.45 +/- 2.90   0.210% *  0.0497% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63  12.14 +/- 3.67   0.744% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  18.80 +/- 2.85   0.099% *  0.0767% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.48 +/- 2.15   0.287% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  13.29 +/- 3.01   0.335% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.80 +/- 2.90   0.294% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  13.41 +/- 2.66   0.312% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.21 +/- 2.33   0.182% *  0.0184% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.94 +/- 3.80   0.238% *  0.0122% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.70 +/- 1.28   0.128% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.98 +/- 3.59   0.140% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.03 +/- 2.08   0.202% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  14.65 +/- 6.20   0.382% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.47 +/- 1.31   0.162% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  15.16 +/- 2.56   0.278% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.06 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 = 0.995, support = 6.24, residual support = 165.0:
    * O T QD2   LEU   73 - QD1   LEU   73   2.05 +/- 0.06  49.150% * 66.8347% (1.00  10.0 10.00   6.41 170.83) =  96.524%  kept
          HG    LEU   31 - QD1   LEU   73   5.44 +/- 2.74   8.345% *  7.4848% (0.97   1.0  1.00   2.32   2.12) =   1.835%  kept
        T QD2   LEU   73 - QD1   LEU   63   8.06 +/- 1.91   1.594% * 19.1986% (1.00   1.0 10.00   0.57   0.02) =   0.899%  kept
          QG1   VAL   43 - QD1   LEU   73   5.03 +/- 2.16  14.966% *  1.1527% (0.28   1.0  1.00   1.24   7.51) =   0.507%  kept
          HG    LEU   31 - QD1   LEU   63  12.58 +/- 3.80   1.299% *  3.8078% (0.97   1.0  1.00   1.18   0.27) =   0.145%  kept
        T QG1   VAL   41 - QD1   LEU   73   5.90 +/- 1.37   5.324% *  0.2996% (0.45   1.0 10.00   0.02   0.02) =   0.047%
        T HG3   LYS+ 121 - QD1   LEU   73  16.72 +/- 5.68   1.476% *  0.2280% (0.34   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+ 121 - QD1   LEU  104  11.09 +/- 8.60   4.977% *  0.0558% (0.08   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   41 - QD1   LEU  104   6.97 +/- 2.18   3.080% *  0.0733% (0.11   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - QD1   LEU   63   9.88 +/- 1.78   0.613% *  0.2996% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - QD1   LEU   63   7.48 +/- 2.05   2.151% *  0.0599% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - QD1   LEU  104   9.66 +/- 1.95   0.720% *  0.1636% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - QD1   LEU   63  12.81 +/- 3.47   0.494% *  0.2280% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - QD1   LEU   63   8.60 +/- 2.25   1.419% *  0.0186% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   73  13.07 +/- 2.19   0.300% *  0.0599% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  11.91 +/- 3.09   0.877% *  0.0158% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.04 +/- 1.67   2.997% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  14.22 +/- 3.07   0.216% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 170.8:
    *   T HA    LEU   73 - QD2   LEU   73   2.89 +/- 0.52  98.207% * 99.6602% (1.00 10.00   6.18 170.83) =  99.994%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.67 +/- 5.48   1.793% *  0.3398% (0.34 10.00   0.02   0.02) =   0.006%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 170.5:
    * O T HB2   LEU   73 - QD2   LEU   73   3.06 +/- 0.22  69.684% * 95.2118% (1.00  10.0 10.00   6.18 170.83) =  99.785%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.47 +/- 0.69   3.688% *  3.3731% (0.22   1.0 10.00   0.32   2.44) =   0.187%  kept
        T QG1   ILE   56 - QD2   LEU   73  12.22 +/- 2.06   1.579% *  0.2939% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LEU   73 - HG3   LYS+ 121  19.99 +/- 5.96   0.934% *  0.3247% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  99 - QD2   LEU   73  10.87 +/- 1.91   2.194% *  0.0879% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - QD2   LEU   73  11.49 +/- 1.74   1.756% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  12.38 +/- 1.44   1.320% *  0.1002% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HG3   LYS+ 121  14.24 +/- 8.79   4.065% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD2   LEU   73  14.20 +/- 2.17   1.171% *  0.0919% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD2   LEU   73  13.94 +/- 2.50   1.385% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG3   LYS+ 121  14.28 +/- 6.97   2.101% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  13.87 +/- 2.43   1.431% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  18.63 +/- 3.47   0.606% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  17.86 +/- 3.34   0.554% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD2   LEU   73  11.58 +/- 1.60   1.574% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG3   LYS+ 121  15.58 +/-10.23   3.912% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  18.51 +/- 9.31   0.909% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.57 +/- 3.33   0.349% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  19.12 +/- 2.19   0.346% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.58 +/- 2.97   0.443% *  0.0197% (0.21   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.929, support = 6.54, residual support = 176.3:
    * O T HB3   LEU   73 - QD2   LEU   73   2.76 +/- 0.23  29.317% * 84.4060% (1.00  10.0 10.00   6.67 170.83) =  90.978%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.47 +/- 0.26  39.847% *  4.4410% (0.05  10.0 10.00   5.98 313.41) =   6.506%  kept
          HB    VAL   42 - QD2   LEU   73   5.71 +/- 1.23   6.491% *  5.7989% (0.99   1.0  1.00   1.39   1.52) =   1.384%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.30 +/- 0.86   7.267% *  4.1079% (0.18   1.0  1.00   5.56  41.39) =   1.098%  kept
        T HD3   LYS+ 121 - QD2   LEU   73  15.21 +/- 5.24   1.856% *  0.1302% (0.15   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   LEU   73 - HG3   LYS+ 121  19.70 +/- 6.10   0.476% *  0.2878% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QD2   LEU   73   8.17 +/- 1.85   1.577% *  0.0815% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QD2   LEU   73  13.67 +/- 3.07   1.193% *  0.0546% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   73   7.73 +/- 1.36   1.856% *  0.0317% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD2   LEU   73  10.19 +/- 1.39   0.676% *  0.0837% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HG3   LYS+ 121  14.72 +/- 6.96   1.214% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   73  12.03 +/- 1.87   0.436% *  0.0779% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73   8.61 +/- 1.89   1.536% *  0.0210% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  14.51 +/- 2.01   0.278% *  0.0842% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   73  12.23 +/- 2.52   0.666% *  0.0317% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD2   LEU   73  16.59 +/- 3.59   0.232% *  0.0827% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  11.25 +/- 2.00   0.599% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  14.61 +/- 7.87   0.595% *  0.0266% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG3   LYS+ 121  14.92 +/- 7.50   1.153% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  16.86 +/- 8.81   0.847% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  20.24 +/- 9.89   0.192% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.55 +/- 0.96   0.784% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.77 +/- 1.00   0.133% *  0.0282% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.73 +/- 7.17   0.125% *  0.0278% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  19.23 +/- 2.25   0.102% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  17.25 +/- 3.09   0.155% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.46 +/- 2.69   0.147% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  20.22 +/- 2.87   0.088% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  26.63 +/- 3.93   0.041% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  20.70 +/- 4.50   0.120% *  0.0050% (0.06   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.36, residual support = 169.2:
    * O T QD1   LEU   73 - QD2   LEU   73   2.05 +/- 0.06  73.512% * 76.6369% (1.00  10.0 10.00   6.41 170.83) =  99.050%  kept
        T QD1   LEU   63 - QD2   LEU   73   8.06 +/- 1.91   2.325% * 22.0143% (1.00   1.0 10.00   0.57   0.02) =   0.900%  kept
        T QD1   LEU  104 - HG3   LYS+ 121  11.09 +/- 8.60   8.278% *  0.1480% (0.19   1.0 10.00   0.02   0.02) =   0.022%
        T QD1   LEU   73 - HG3   LYS+ 121  16.72 +/- 5.68   2.078% *  0.2613% (0.34   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU  104 - QD2   LEU   73   9.66 +/- 1.95   1.073% *  0.4339% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - QD2   LEU   73   9.00 +/- 3.95   3.879% *  0.0614% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   63 - HG3   LYS+ 121  12.81 +/- 3.47   0.707% *  0.2613% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - QD2   LEU   73   7.74 +/- 1.50   2.256% *  0.0434% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD2   LEU   73   9.26 +/- 3.34   3.083% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU   73  11.74 +/- 1.70   0.541% *  0.0640% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   LYS+ 121  12.26 +/- 4.08   1.214% *  0.0148% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121  10.16 +/- 0.54   0.617% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  20.76 +/- 4.26   0.308% *  0.0209% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  19.63 +/- 3.73   0.131% *  0.0046% (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 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 = 186.5:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.58 +/- 0.24  76.002% * 99.4757% (0.64  10.0 10.00   6.31 186.53) =  99.986%  kept
          HG    LEU   67 - HA    LYS+  74   8.72 +/- 2.81  12.648% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HA    LYS+  74   8.39 +/- 1.96   4.715% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HA    LYS+  74   9.85 +/- 2.00   2.536% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  74  13.39 +/- 1.76   0.710% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    LYS+  74  15.47 +/- 2.95   0.605% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  74  11.11 +/- 1.67   1.339% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.08 +/- 2.72   0.328% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  17.66 +/- 4.11   0.481% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  15.15 +/- 2.99   0.636% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.5:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.64 +/- 0.43  89.638% * 99.1206% (0.80  10.0 10.00   6.28 186.53) =  99.991%  kept
          HG13  ILE   19 - HA    LYS+  74   9.33 +/- 3.15   3.267% *  0.0915% (0.74   1.0  1.00   0.02   8.27) =   0.003%
          HG    LEU   71 - HA    LYS+  74  11.13 +/- 1.01   1.601% *  0.0989% (0.80   1.0  1.00   0.02   0.22) =   0.002%
        T HG3   LYS+ 111 - HA    LYS+  74  20.23 +/- 3.19   0.337% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  74  11.37 +/- 1.52   1.808% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  74  14.40 +/- 1.19   0.723% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.03 +/- 1.90   0.436% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  14.03 +/- 2.14   0.756% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  12.61 +/- 2.05   1.133% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  19.32 +/- 1.39   0.301% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.775, support = 5.55, residual support = 179.4:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.60 +/- 0.45  40.459% * 92.2756% (0.80  10.0 10.00   5.57 186.53) =  95.424%  kept
          HB    VAL   75 - HA    LYS+  74   4.28 +/- 0.22  24.084% *  7.3157% (0.25   1.0  1.00   5.14  32.05) =   4.503%  kept
          QD1   LEU   67 - HA    LYS+  74   6.32 +/- 2.40  24.772% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.054%
          QD2   LEU   40 - HA    LYS+  74  10.16 +/- 2.01   3.566% *  0.0828% (0.72   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   71 - HA    LYS+  74   8.69 +/- 0.61   3.102% *  0.0634% (0.55   1.0  1.00   0.02   0.22) =   0.005%
          QG2   ILE  103 - HA    LYS+  74  13.43 +/- 1.54   1.076% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LYS+  74  13.20 +/- 1.83   1.685% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HA    LYS+  74  13.86 +/- 2.58   1.256% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.32 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.5:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.11 +/- 0.61  73.223% * 99.2156% (0.80 10.00   5.91 186.53) =  99.975%  kept
          QD    LYS+  65 - HA    LYS+  74   8.06 +/- 2.09  17.070% *  0.0562% (0.45  1.00   0.02   0.02) =   0.013%
          QB    ALA   57 - HA    LYS+  74  11.92 +/- 3.21   3.887% *  0.0861% (0.69  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HA    LYS+  74  17.56 +/- 1.68   0.626% *  0.3384% (0.27 10.00   0.02   0.02) =   0.003%
          HB    VAL   83 - HA    LYS+  74  12.54 +/- 2.66   1.950% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HA    LYS+  74  13.22 +/- 2.00   1.381% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  17.68 +/- 3.62   0.902% *  0.0602% (0.49  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  21.70 +/- 3.68   0.511% *  0.0829% (0.67  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+  74  21.55 +/- 3.79   0.449% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.28 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.5:
    *   T QE    LYS+  74 - HA    LYS+  74   3.27 +/- 0.48  80.078% * 99.7560% (0.80 10.00   4.93 186.53) =  99.989%  kept
          HB2   PHE   72 - HA    LYS+  74   6.10 +/- 0.27  13.878% *  0.0308% (0.25  1.00   0.02   1.35) =   0.005%
          QB    CYS   50 - HA    LYS+  74  12.27 +/- 2.18   2.403% *  0.0995% (0.80  1.00   0.02   0.02) =   0.003%
          HB3   ASN   69 - HA    LYS+  74  14.02 +/- 1.96   1.482% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.80 +/- 0.89   2.158% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.88 A violated in 0 structures by 0.48 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.5:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.58 +/- 0.24  98.493% * 99.8966% (0.64  10.0 10.00   6.31 186.53) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  13.74 +/- 1.80   0.890% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  15.11 +/- 2.05   0.616% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 186.3:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.97 +/- 0.08  85.002% * 97.8802% (0.80  10.0 10.00   5.85 186.53) =  99.882%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.98 +/- 3.60   6.853% *  1.3418% (0.74   1.0  1.00   0.30   8.27) =   0.110%  kept
          HG    LEU   71 - HB2   LYS+  74  11.69 +/- 2.05   2.357% *  0.0977% (0.80   1.0  1.00   0.02   0.22) =   0.003%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.50 +/- 3.81   0.405% *  0.3674% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB2   LYS+  74  11.77 +/- 1.72   1.745% *  0.0594% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  15.30 +/- 1.26   0.676% *  0.0594% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.19 +/- 2.53   0.876% *  0.0439% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.29 +/- 2.50   0.370% *  0.0977% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  13.50 +/- 2.74   1.392% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.01 +/- 2.21   0.322% *  0.0334% (0.27   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 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 5.25, residual support = 184.8:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.74 +/- 0.14  64.951% * 91.5789% (0.80  10.0 10.00   5.27 186.53) =  98.971%  kept
          HB    VAL   75 - HB2   LYS+  74   6.12 +/- 0.48   6.383% *  6.5155% (0.25   1.0  1.00   4.61  32.05) =   0.692%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.07 +/- 2.76  21.844% *  0.8454% (0.74   1.0 10.00   0.02   0.02) =   0.307%  kept
        T QD2   LEU   40 - HB2   LYS+  74  11.21 +/- 2.48   1.790% *  0.8213% (0.72   1.0 10.00   0.02   0.02) =   0.024%
          QD2   LEU   71 - HB2   LYS+  74   9.12 +/- 1.41   2.583% *  0.0629% (0.55   1.0  1.00   0.02   0.22) =   0.003%
          QG2   ILE  103 - HB2   LYS+  74  14.68 +/- 1.82   0.504% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  74  14.95 +/- 3.15   1.247% *  0.0344% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.28 +/- 1.99   0.697% *  0.0518% (0.45   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 186.5:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.33 +/- 0.39  92.561% * 97.4681% (0.80  10.0 10.00   6.31 186.53) =  99.971%  kept
        T QD    LYS+  65 - HB2   LYS+  74   8.67 +/- 2.04   3.749% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.023%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.07 +/- 4.07   0.231% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.96 +/- 4.35   0.158% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LYS+  74  12.64 +/- 4.10   1.299% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+  74  18.23 +/- 2.10   0.253% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  13.18 +/- 1.86   0.745% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  13.18 +/- 2.60   0.818% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.75 +/- 4.49   0.185% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.3:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.98 +/- 0.76  78.796% * 99.1438% (0.80 10.00   4.62 186.53) =  99.878%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.39 +/- 1.29  13.983% *  0.6443% (0.25  1.00   0.42   1.35) =   0.115%  kept
          QB    CYS   50 - HB2   LYS+  74  12.87 +/- 2.87   3.276% *  0.0989% (0.80  1.00   0.02   0.02) =   0.004%
          HB3   ASN   69 - HB2   LYS+  74  14.73 +/- 2.55   1.404% *  0.0758% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+  74  11.66 +/- 1.47   2.540% *  0.0372% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 186.5:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.64 +/- 0.43  91.237% * 99.7790% (0.80  10.0 10.00   6.28 186.53) =  99.997%  kept
          HA    THR   94 - HG2   LYS+  74  13.03 +/- 2.09   2.622% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  74 - HG3   LYS+ 111  20.23 +/- 3.19   0.342% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  14.37 +/- 2.47   1.103% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.59 +/- 1.70   2.098% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.90 +/- 2.82   2.597% *  0.0030% (0.02   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 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 186.5:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.97 +/- 0.08  68.414% * 99.3145% (0.80  10.0 10.00   5.85 186.53) =  99.983%  kept
          HG2   LYS+  65 - HG2   LYS+  74   8.51 +/- 2.76   7.066% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   67 - HG2   LYS+  74   9.80 +/- 2.80   5.156% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HG2   LYS+  74  10.40 +/- 2.59   2.423% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HG2   LYS+  74  16.18 +/- 3.79   1.808% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG2   LYS+  74  15.20 +/- 1.86   0.615% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG2   LYS+  74  15.83 +/- 3.89   2.519% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG2   LYS+  74  17.77 +/- 3.05   0.427% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.50 +/- 3.81   0.329% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   9.09 +/- 1.69   3.202% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  12.92 +/- 1.91   1.132% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  18.59 +/- 3.81   0.451% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.68 +/- 1.62   3.933% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.03 +/- 1.01   0.864% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.70 +/- 3.36   0.175% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  18.22 +/- 2.12   0.345% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.66 +/- 3.58   0.234% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.50 +/- 3.10   0.262% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.02 +/- 4.28   0.415% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  22.00 +/- 3.26   0.231% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 186.1:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  88.389% * 92.8788% (1.00  10.0 10.00   4.54 186.53) =  99.711%  kept
          HB    VAL   75 - HG2   LYS+  74   5.53 +/- 0.80   3.575% *  6.5022% (0.31   1.0  1.00   4.54  32.05) =   0.282%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.27 +/- 2.56   4.735% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   71 - HG2   LYS+  74   9.87 +/- 1.11   0.572% *  0.0638% (0.69   1.0  1.00   0.02   0.22) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  11.69 +/- 2.06   0.435% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.50 +/- 1.87   0.208% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.17 +/- 2.02   0.322% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  21.76 +/- 4.21   0.108% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.52 +/- 2.97   0.260% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.88 +/- 2.92   0.058% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  15.18 +/- 2.60   0.332% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.91 +/- 3.83   0.320% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.86 +/- 2.95   0.199% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  18.11 +/- 2.72   0.112% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.89 +/- 0.70   0.229% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  17.81 +/- 2.40   0.147% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.92, support = 5.52, residual support = 197.3:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.76 +/- 0.20  40.060% * 89.4618% (1.00  10.0 10.00   5.54 186.53) =  91.183%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.69 +/- 0.32  42.494% *  7.9861% (0.09  10.0 10.00   5.40 315.09) =   8.634%  kept
        T QD    LYS+  65 - HG2   LYS+  74   7.98 +/- 2.87  13.106% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.169%  kept
        T QD    LYS+  33 - HG2   LYS+  74  14.38 +/- 2.52   0.375% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   57 - HG2   LYS+  74  12.25 +/- 4.05   1.522% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.29 +/- 4.29   0.149% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  74  19.03 +/- 1.90   0.137% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  12.38 +/- 2.26   0.593% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.78 +/- 3.94   0.161% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.63 +/- 3.47   0.202% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.09 +/- 2.87   0.163% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.30 +/- 4.20   0.114% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  13.72 +/- 2.24   0.400% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.43 +/- 3.15   0.046% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.83 +/- 3.18   0.048% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  17.23 +/- 1.84   0.190% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.52 +/- 1.17   0.113% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.48 +/- 3.71   0.127% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.5:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.62 +/- 0.62  87.246% * 99.6238% (1.00  10.0 10.00   4.54 186.53) =  99.993%  kept
          QB    CYS   50 - HG2   LYS+  74  12.20 +/- 2.72   2.343% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG2   LYS+  74   8.06 +/- 0.89   4.382% *  0.0307% (0.31   1.0  1.00   0.02   1.35) =   0.002%
          HB3   ASN   69 - HG2   LYS+  74  15.13 +/- 2.63   1.245% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.75 +/- 1.37   2.123% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  18.70 +/- 3.69   0.372% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.19 +/- 2.85   1.112% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  25.40 +/- 5.31   0.487% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.38 +/- 4.89   0.454% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  21.21 +/- 3.14   0.237% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.5:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.60 +/- 0.45  93.521% * 99.8966% (0.80  10.0 10.00   5.57 186.53) =  99.996%  kept
          HA    THR   94 - HG3   LYS+  74  14.07 +/- 2.22   4.498% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HA    MET   92 - HG3   LYS+  74  15.17 +/- 2.28   1.982% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 186.5:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.74 +/- 0.14  80.950% * 98.5261% (0.80  10.0 10.00   5.27 186.53) =  99.971%  kept
        T HG    LEU  115 - HG3   LYS+  74  17.12 +/- 4.18   1.533% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.016%
          HG2   LYS+  65 - HG3   LYS+  74   8.97 +/- 2.83   6.750% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU   40 - HG3   LYS+  74  13.58 +/- 2.14   0.960% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HG3   LYS+  74  10.25 +/- 2.81   2.595% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HG3   LYS+  74  10.34 +/- 2.98   3.774% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG3   LYS+  74  15.78 +/- 2.17   0.542% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG3   LYS+  74  16.80 +/- 4.24   2.090% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.39 +/- 3.37   0.418% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  19.35 +/- 4.01   0.388% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.5:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  96.223% * 99.1206% (1.00  10.0 10.00   4.54 186.53) =  99.997%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.95 +/- 4.38   2.126% *  0.0915% (0.92   1.0  1.00   0.02   8.27) =   0.002%
        T HG3   LYS+ 111 - HG3   LYS+  74  21.76 +/- 4.21   0.118% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  12.72 +/- 1.99   0.419% *  0.0989% (1.00   1.0  1.00   0.02   0.22) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  12.87 +/- 1.55   0.287% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  15.29 +/- 1.47   0.160% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.32 +/- 2.59   0.201% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.32 +/- 2.41   0.071% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  13.59 +/- 3.03   0.334% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.29 +/- 2.21   0.061% *  0.0338% (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 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 = 186.5:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.93 +/- 0.11  76.650% * 99.2156% (1.00  10.0 10.00   4.97 186.53) =  99.980%  kept
          QD    LYS+  65 - HG3   LYS+  74   8.44 +/- 2.82  15.493% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          QB    ALA   57 - HG3   LYS+  74  12.68 +/- 4.44   4.525% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HG3   LYS+  74  19.33 +/- 2.09   0.299% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  12.96 +/- 2.17   1.147% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  14.39 +/- 2.45   0.822% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HG3   LYS+  74  23.21 +/- 4.69   0.358% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.42 +/- 3.73   0.377% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.88 +/- 4.54   0.330% *  0.0562% (0.57   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.5:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.90 +/- 0.36  88.906% * 99.7560% (1.00  10.0 10.00   4.00 186.53) =  99.993%  kept
          QB    CYS   50 - HG3   LYS+  74  12.69 +/- 3.13   2.899% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG3   LYS+  74   8.71 +/- 1.07   5.109% *  0.0308% (0.31   1.0  1.00   0.02   1.35) =   0.002%
          HB3   ASN   69 - HG3   LYS+  74  15.47 +/- 3.03   1.022% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  11.00 +/- 1.39   2.064% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.5:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.11 +/- 0.61  95.115% * 99.6012% (0.80 10.00   5.91 186.53) =  99.996%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.56 +/- 1.68   0.837% *  0.2184% (0.18 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HD2   LYS+  74  13.27 +/- 2.14   2.135% *  0.0754% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HD2   LYS+  74  14.53 +/- 2.97   1.328% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  26.07 +/- 1.87   0.215% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.97 +/- 1.23   0.370% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 186.4:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.33 +/- 0.39  71.334% * 98.0482% (0.80  10.0 10.00   6.31 186.53) =  99.936%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   8.43 +/- 2.37   6.490% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.051%
          HG    LEU   67 - HD2   LYS+  74   9.34 +/- 3.41  11.540% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.005%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.53 +/- 4.05   0.226% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HD2   LYS+  74  16.04 +/- 3.95   1.043% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HD2   LYS+  74  10.63 +/- 2.27   1.148% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   7.90 +/- 1.15   2.902% *  0.0241% (0.20   1.0  1.00   0.02   0.76) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.23 +/- 2.10   0.192% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  15.17 +/- 2.15   0.350% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  20.53 +/- 7.57   0.276% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.70 +/- 3.25   0.252% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.53 +/- 2.33   0.161% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  15.75 +/- 3.80   0.803% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  12.93 +/- 2.03   0.641% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.66 +/- 1.16   1.361% *  0.0047% (0.04   1.0  1.00   0.02   0.76) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.46 +/- 1.19   0.387% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  19.71 +/- 4.81   0.206% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.10 +/- 2.97   0.498% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  23.42 +/- 2.63   0.096% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.31 +/- 2.23   0.092% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.15 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.894, support = 5.54, residual support = 189.8:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.76 +/- 0.20  32.654% * 88.7723% (1.00  10.0 10.00   5.54 186.53) =  88.580%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.14  54.858% *  6.6403% (0.07  10.0 10.00   5.57 220.08) =  11.132%  kept
          QG2   THR   39 - QD    LYS+  38   6.17 +/- 0.84   3.789% *  2.2063% (0.13   1.0  1.00   3.74  23.85) =   0.255%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.69 +/- 4.98   3.290% *  0.1942% (0.22   1.0 10.00   0.02   0.02) =   0.020%
          HG13  ILE   19 - HD2   LYS+  74  10.14 +/- 3.66   1.459% *  0.0819% (0.92   1.0  1.00   0.02   8.27) =   0.004%
        T HG3   LYS+  99 - HD2   LYS+  74  19.80 +/- 2.20   0.098% *  0.8858% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - HD2   LYS+  74  20.78 +/- 3.94   0.142% *  0.3332% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HD2   LYS+  74  12.48 +/- 2.01   0.513% *  0.0886% (1.00   1.0  1.00   0.02   0.22) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  21.09 +/- 2.17   0.081% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  12.62 +/- 1.72   0.423% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  19.03 +/- 1.90   0.108% *  0.1947% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.18 +/- 1.43   0.784% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  15.04 +/- 2.84   0.339% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  14.88 +/- 1.99   0.239% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.80 +/- 3.09   0.648% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.52 +/- 2.60   0.288% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.83 +/- 3.18   0.037% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.95 +/- 1.10   0.056% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  23.41 +/- 3.21   0.060% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.35 +/- 4.04   0.133% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.992, support = 4.96, residual support = 184.8:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.93 +/- 0.11  51.022% * 93.1092% (1.00  10.0 10.00   4.97 186.53) =  98.869%  kept
          HB    VAL   75 - HD2   LYS+  74   6.08 +/- 1.15   8.355% *  6.1776% (0.31   1.0  1.00   4.30  32.05) =   1.074%  kept
          QD1   LEU   67 - HD2   LYS+  74   6.94 +/- 3.06  25.006% *  0.0860% (0.92   1.0  1.00   0.02   0.02) =   0.045%
          QD2   LEU   71 - HD2   LYS+  74   9.83 +/- 1.46   1.934% *  0.0640% (0.69   1.0  1.00   0.02   0.22) =   0.003%
          QD2   LEU   40 - HD2   LYS+  74  11.72 +/- 2.13   1.120% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QD    LYS+  38   7.82 +/- 1.18   3.222% *  0.0183% (0.20   1.0  1.00   0.02   0.76) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  14.40 +/- 3.32   1.564% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  14.51 +/- 2.35   1.018% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HD2   LYS+  74  14.79 +/- 1.80   0.518% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.33 +/- 2.09   0.194% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - QD    LYS+  38   8.88 +/- 1.43   2.272% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    LYS+  38  12.45 +/- 2.64   1.440% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    LYS+  38  13.63 +/- 2.56   0.726% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  13.25 +/- 2.92   0.982% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.37 +/- 4.37   0.338% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  18.15 +/- 2.33   0.289% *  0.0063% (0.07   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 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 = 186.5:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.27 +/- 0.11  90.200% * 99.4851% (1.00  10.0 10.00   4.97 186.53) =  99.996%  kept
          QB    CYS   50 - HD2   LYS+  74  12.19 +/- 2.88   1.045% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.15 +/- 1.16   2.581% *  0.0307% (0.31   1.0  1.00   0.02   1.35) =   0.001%
          HB3   ASN   69 - QD    LYS+  38  13.04 +/- 3.62   3.517% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HD2   LYS+  74  14.64 +/- 2.88   0.705% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - QD    LYS+  38  17.40 +/- 1.21   0.215% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  11.33 +/- 1.50   0.882% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  12.76 +/- 1.93   0.672% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  23.41 +/- 3.71   0.114% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  26.23 +/- 2.67   0.071% *  0.0082% (0.08   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 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.5:
    *   T HA    LYS+  74 - QE    LYS+  74   3.27 +/- 0.48  94.198% * 99.8966% (0.80 10.00   4.93 186.53) =  99.996%  kept
          HA    THR   94 - QE    LYS+  74  12.11 +/- 2.28   3.566% *  0.0757% (0.61  1.00   0.02   0.02) =   0.003%
          HA    MET   92 - QE    LYS+  74  13.11 +/- 2.56   2.236% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.5:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.98 +/- 0.76  55.994% * 99.4757% (0.80 10.00   4.62 186.53) =  99.959%  kept
          HG2   LYS+  65 - QE    LYS+  74   7.00 +/- 2.63  15.312% *  0.0557% (0.45  1.00   0.02   0.02) =   0.015%
          HG    LEU  115 - QE    LYS+  74  14.33 +/- 3.81   7.529% *  0.0853% (0.69  1.00   0.02   0.02) =   0.012%
          QG2   THR   26 - QE    LYS+  74   9.93 +/- 2.01   3.427% *  0.0654% (0.53  1.00   0.02   0.02) =   0.004%
          HB3   LEU  115 - QE    LYS+  74  14.07 +/- 3.88   9.071% *  0.0218% (0.18  1.00   0.02   0.02) =   0.004%
          HG    LEU   67 - QE    LYS+  74   8.34 +/- 2.61   4.796% *  0.0310% (0.25  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - QE    LYS+  74  13.88 +/- 1.43   0.840% *  0.1114% (0.90  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QE    LYS+  74  15.86 +/- 3.30   0.811% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  16.69 +/- 3.93   0.896% *  0.0466% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  11.89 +/- 1.23   1.323% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.19 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.5:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.62 +/- 0.62  87.450% * 99.1206% (1.00  10.0 10.00   4.54 186.53) =  99.989%  kept
          HG13  ILE   19 - QE    LYS+  74   9.38 +/- 3.42   4.369% *  0.0915% (0.92   1.0  1.00   0.02   8.27) =   0.005%
          HG    LEU   71 - QE    LYS+  74  11.37 +/- 1.45   1.653% *  0.0989% (1.00   1.0  1.00   0.02   0.22) =   0.002%
        T HG3   LYS+ 111 - QE    LYS+  74  18.70 +/- 3.69   0.373% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QE    LYS+  74  11.52 +/- 1.39   1.862% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QE    LYS+  74  13.46 +/- 1.88   1.083% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  13.77 +/- 2.89   0.892% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  18.07 +/- 2.02   0.344% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  74  11.43 +/- 2.71   1.650% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.25 +/- 1.24   0.324% *  0.0338% (0.34   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 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.99, support = 4.0, residual support = 184.3:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.90 +/- 0.36  56.736% * 93.7910% (1.00  10.0 10.00   4.00 186.53) =  98.566%  kept
          HB    VAL   75 - QE    LYS+  74   5.74 +/- 1.09  12.951% *  5.7937% (0.31   1.0  1.00   4.00  32.05) =   1.390%  kept
          QD1   LEU   67 - QE    LYS+  74   6.25 +/- 2.47  20.454% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.033%
          QD1   ILE  103 - QE    LYS+  74  13.37 +/- 2.33   3.062% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - QE    LYS+  74   8.96 +/- 1.19   2.392% *  0.0644% (0.69   1.0  1.00   0.02   0.22) =   0.003%
          QD2   LEU   40 - QE    LYS+  74  10.76 +/- 1.50   1.571% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    LYS+  74  13.54 +/- 2.10   1.219% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - QE    LYS+  74  12.83 +/- 3.32   1.615% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.5:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.27 +/- 0.11  78.137% * 99.2156% (1.00  10.0 10.00   4.97 186.53) =  99.982%  kept
          QD    LYS+  65 - QE    LYS+  74   6.64 +/- 2.51  14.880% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          QB    ALA   57 - QE    LYS+  74  10.77 +/- 4.16   4.406% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - QE    LYS+  74  17.40 +/- 1.21   0.185% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  12.14 +/- 2.62   0.984% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  74  16.74 +/- 3.68   0.450% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.24 +/- 1.96   0.450% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  19.94 +/- 4.04   0.296% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  19.84 +/- 4.48   0.213% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 3.44, residual support = 82.4:
    * O T HB    VAL   75 - HA    VAL   75   2.85 +/- 0.20  77.426% * 93.6691% (1.00  10.0 10.00   3.44  82.86) =  99.166%  kept
          HG3   LYS+  74 - HA    VAL   75   5.93 +/- 0.71  10.370% *  5.7885% (0.31   1.0  1.00   4.00  32.05) =   0.821%  kept
        T QD1   ILE  119 - HA    VAL   75  12.97 +/- 2.03   1.196% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          QD1   LEU   67 - HA    VAL   75   8.47 +/- 1.95   6.412% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    VAL   75  11.33 +/- 1.70   1.597% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    VAL   75  12.46 +/- 2.23   1.963% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL   75  16.12 +/- 2.51   1.037% *  0.0164% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - HA    VAL   75   2.64 +/- 0.23  95.843% * 99.9055% (1.00  10.0 10.00   4.00  82.86) =  99.996%  kept
          QD1   LEU  115 - HA    VAL   75  12.30 +/- 2.56   4.157% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T QG2   VAL   75 - HA    VAL   75   2.35 +/- 0.43  96.041% * 97.1799% (1.00  10.0 10.00   4.00  82.86) =  99.881%  kept
          QG2   VAL   42 - HA    VAL   75   8.68 +/- 1.62   3.959% *  2.8201% (0.97   1.0  1.00   0.60   0.02) =   0.119%  kept
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.9:
    * O T HA    VAL   75 - HB    VAL   75   2.85 +/- 0.20  91.116% * 99.7003% (1.00  10.0 10.00   3.44  82.86) =  99.996%  kept
        T HA    ILE  119 - HB    VAL   75  15.02 +/- 2.28   0.842% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HB    VAL   75   8.46 +/- 2.31   6.464% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    VAL   75  14.59 +/- 2.26   0.931% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.05 +/- 1.98   0.647% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.9:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  98.900% * 99.9055% (1.00  10.0 10.00   3.44  82.86) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75  10.97 +/- 1.97   1.100% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 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 = 82.7:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  82.977% * 99.0442% (1.00  10.0 10.00   3.31  82.86) =  99.802%  kept
        T QG2   VAL   42 - HB    VAL   75   7.33 +/- 1.77  17.023% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.198%  kept
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T HA    VAL   75 - QG1   VAL   75   2.64 +/- 0.23  85.948% * 99.6578% (1.00  10.0 10.00   4.00  82.86) =  99.970%  kept
        T HA    ALA   61 - QG1   VAL   75   8.31 +/- 2.29  10.850% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.028%
          HD3   PRO   58 - QG1   VAL   75  12.68 +/- 2.19   1.083% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG1   VAL   75  13.06 +/- 1.75   1.098% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.01 +/- 1.95   1.022% *  0.0135% (0.14   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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 82.7:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  83.975% * 94.0145% (1.00  10.0 10.00   3.44  82.86) =  99.778%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.83 +/- 0.77   2.936% *  5.7890% (0.31   1.0  1.00   3.99  32.05) =   0.215%  kept
          QD1   LEU   67 - QG1   VAL   75   7.09 +/- 1.80   6.300% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - QG1   VAL   75   9.41 +/- 1.60   2.061% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75   9.93 +/- 2.06   1.483% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75  10.08 +/- 1.46   1.043% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL   75  12.97 +/- 2.48   2.202% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.98, residual support = 82.5:
    * O T QG2   VAL   75 - QG1   VAL   75   2.03 +/- 0.07  85.887% * 97.1757% (1.00  10.0 10.00   4.00  82.86) =  99.525%  kept
          QG2   VAL   42 - QG1   VAL   75   7.10 +/- 1.68  14.113% *  2.8243% (0.97   1.0  1.00   0.60   0.02) =   0.475%  kept
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T HA    VAL   75 - QG2   VAL   75   2.35 +/- 0.43  88.816% * 99.8572% (1.00  10.0 10.00   4.00  82.86) =  99.997%  kept
          HA    ALA   61 - QG2   VAL   75   8.31 +/- 1.97   8.704% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - QG2   VAL   75  13.30 +/- 2.12   0.994% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   VAL   75  14.29 +/- 2.06   0.850% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  13.38 +/- 2.41   0.637% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.7:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  82.610% * 94.0114% (1.00  10.0 10.00   3.31  82.86) =  99.735%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.29 +/- 0.56   3.470% *  5.7921% (0.31   1.0  1.00   3.99  32.05) =   0.258%  kept
          QD1   LEU   67 - QG2   VAL   75   6.75 +/- 1.41   5.146% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - QG2   VAL   75   8.48 +/- 1.56   2.252% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QG2   VAL   75   9.34 +/- 2.26   3.074% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - QG2   VAL   75  12.11 +/- 2.52   2.501% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  10.49 +/- 1.69   0.947% *  0.0386% (0.41   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 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - QG2   VAL   75   2.03 +/- 0.07  98.579% * 99.9055% (1.00  10.0 10.00   4.00  82.86) =  99.999%  kept
          QD1   LEU  115 - QG2   VAL   75   9.90 +/- 1.71   1.421% *  0.0945% (0.95   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 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 = 0.992, support = 2.84, residual support = 35.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.91 +/- 0.13  66.563% * 91.2213% (1.00  10.0 10.00   2.85  35.71) =  98.514%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.53 +/- 0.65  11.784% *  4.7262% (0.73   1.0  1.00   1.43   4.71) =   0.904%  kept
        T QE    LYS+  66 - HA    LEU   67   6.16 +/- 1.05  10.592% *  3.3320% (0.04   1.0 10.00   3.43  14.70) =   0.573%  kept
        T QE    LYS+  66 - HA    ASP-  76  13.37 +/- 3.11   1.463% *  0.2031% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ASN   69 - HA    LEU   67   6.91 +/- 0.95   6.331% *  0.0147% (0.16   1.0  1.00   0.02   2.95) =   0.002%
        T HB2   ASP-  76 - HA    LEU   67  15.89 +/- 2.67   0.589% *  0.1497% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    ASP-  76  18.25 +/- 2.32   0.311% *  0.2031% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  76  18.55 +/- 2.61   0.364% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  14.80 +/- 2.42   0.670% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  17.14 +/- 2.59   0.390% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  18.41 +/- 3.13   0.361% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  19.91 +/- 3.95   0.581% *  0.0023% (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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.71 +/- 0.25  86.093% * 99.2676% (0.87  10.0 10.00   2.98  35.71) =  99.991%  kept
          HB2   ASP- 105 - HA    ASP-  76  17.86 +/- 3.49   2.093% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG3   MET   92 - HA    ASP-  76  13.29 +/- 2.96   1.558% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   ASP-  76 - HA    LEU   67  15.21 +/- 2.49   0.676% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP-  76  16.24 +/- 3.76   1.526% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  11.74 +/- 1.17   1.317% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  18.48 +/- 2.67   0.345% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.69 +/- 2.45   1.705% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  22.87 +/- 1.67   0.168% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  20.86 +/- 4.68   0.860% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  17.18 +/- 4.14   0.657% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  15.15 +/- 3.76   1.196% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  18.73 +/- 3.35   0.377% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.68 +/- 3.37   0.381% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.11 +/- 2.42   0.702% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  20.40 +/- 3.47   0.348% *  0.0025% (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 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 2.86, residual support = 35.5:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.91 +/- 0.13  82.993% * 94.4931% (1.00  10.0 10.00   2.85  35.71) =  99.173%  kept
        T HA    LEU   67 - QE    LYS+  66   6.16 +/- 1.05  13.216% *  4.8987% (0.05   1.0 10.00   3.43  14.70) =   0.819%  kept
        T HA    ASP-  76 - QE    LYS+  66  13.37 +/- 3.11   1.830% *  0.1965% (0.21   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU   67 - HB2   ASP-  76  15.89 +/- 2.67   0.737% *  0.2356% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  76 - QE    LYS+  33  18.25 +/- 2.32   0.389% *  0.1409% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.80 +/- 2.42   0.834% *  0.0351% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.7:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  92.782% * 98.9845% (0.87  10.0 10.00   2.83  35.71) =  99.997%  kept
          HB2   ASP- 105 - HB2   ASP-  76  18.84 +/- 3.92   0.580% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  14.73 +/- 2.92   0.248% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   ASP-  76  14.12 +/- 2.79   0.295% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  33   7.35 +/- 1.39   2.073% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  18.76 +/- 5.25   0.833% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.03 +/- 2.44   0.103% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  12.43 +/- 1.82   0.335% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  17.70 +/- 3.77   0.278% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  18.11 +/- 3.64   0.118% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  11.77 +/- 2.19   0.428% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.85 +/- 3.51   0.393% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  13.24 +/- 3.68   0.492% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  23.39 +/- 2.18   0.043% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  17.99 +/- 3.79   0.133% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  20.96 +/- 3.86   0.106% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.52 +/- 2.68   0.084% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.64 +/- 2.92   0.156% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  21.62 +/- 2.33   0.056% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  16.70 +/- 2.55   0.133% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  19.22 +/- 4.09   0.192% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.61 +/- 2.70   0.034% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.70 +/- 3.19   0.060% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  22.90 +/- 2.70   0.047% *  0.0023% (0.02   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 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.71 +/- 0.25  99.221% * 99.7513% (0.87  10.0 10.00   2.98  35.71) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  15.21 +/- 2.49   0.779% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.7:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  93.263% * 97.6533% (0.87  10.0 10.00   2.83  35.71) =  99.878%  kept
          HB2   ASP-  78 - HB3   ASP-  76   5.33 +/- 1.22   6.128% *  1.8011% (0.63   1.0  1.00   0.51   4.71) =   0.121%  kept
        T QE    LYS+  66 - HB3   ASP-  76  14.73 +/- 2.92   0.249% *  0.2174% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  18.03 +/- 2.44   0.103% *  0.2174% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  19.72 +/- 2.89   0.099% *  0.0957% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  16.31 +/- 2.93   0.157% *  0.0151% (0.13   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 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   2.59 +/- 0.15  84.845% * 93.3090% (1.00  10.0 10.00   3.00  37.47) =  99.393%  kept
          HA    GLU-  79 - HA    THR   77   6.13 +/- 0.66   7.845% *  6.0973% (0.69   1.0  1.00   1.90   0.02) =   0.601%  kept
          HA    ASP-  44 - HA    THR   77   9.20 +/- 1.57   2.666% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77  10.86 +/- 2.39   1.553% *  0.0933% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HA    THR   77  12.49 +/- 1.95   0.929% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  17.87 +/- 2.61   0.314% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  15.85 +/- 4.12   0.996% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  17.07 +/- 3.07   0.426% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  21.57 +/- 2.06   0.173% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  30.83 +/- 5.15   0.066% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.78 +/- 3.53   0.110% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  28.85 +/- 4.45   0.077% *  0.0384% (0.41   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 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   2.57 +/- 0.36  92.944% * 99.7982% (1.00  10.0 10.00   3.00  37.47) =  99.997%  kept
          QB    ALA   88 - HA    THR   77  10.87 +/- 1.99   2.061% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    THR   77  17.84 +/- 3.91   3.528% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    THR   77  13.27 +/- 3.33   1.113% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  22.21 +/- 2.21   0.211% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.18 +/- 2.34   0.143% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - HB    THR   77   2.59 +/- 0.15  95.423% * 99.9104% (1.00  10.0 10.00   3.00  37.47) =  99.998%  kept
          HD2   PRO   93 - HB    THR   77  10.29 +/- 3.71   3.951% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB    THR   77  15.29 +/- 3.11   0.626% *  0.0448% (0.45   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 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   2.15 +/- 0.01  95.985% * 99.5496% (1.00  10.0 10.00   2.71  37.47) =  99.997%  kept
        T QG2   THR   23 - HB    THR   77  14.59 +/- 2.95   0.455% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB    THR   77  11.26 +/- 2.58   0.965% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB    THR   77  17.21 +/- 4.37   2.436% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  23.36 +/- 2.45   0.092% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  26.40 +/- 3.05   0.067% *  0.0446% (0.45   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 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   2.57 +/- 0.36  89.365% * 99.9104% (1.00  10.0 10.00   3.00  37.47) =  99.995%  kept
          HD2   PRO   93 - QG2   THR   77   7.97 +/- 3.32   9.479% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          HB2   TRP   27 - QG2   THR   77  12.40 +/- 2.25   1.157% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 37.4:
    * O T HB    THR   77 - QG2   THR   77   2.15 +/- 0.01  89.360% * 92.5902% (1.00  10.0 10.00   2.71  37.47) =  99.753%  kept
          HA    ASP-  44 - QG2   THR   77   7.30 +/- 1.54   2.931% *  6.8489% (0.99   1.0  1.00   1.49   0.02) =   0.242%  kept
          HA    GLU-  79 - QG2   THR   77   7.00 +/- 0.55   2.804% *  0.0636% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77  10.23 +/- 2.41   1.240% *  0.0926% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   THR   77  12.69 +/- 2.93   0.706% *  0.0451% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  11.78 +/- 3.24   1.420% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.41 +/- 2.08   0.304% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  11.88 +/- 2.12   0.783% *  0.0348% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  18.09 +/- 2.11   0.187% *  0.0562% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  25.96 +/- 4.19   0.066% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.73 +/- 2.96   0.119% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  24.28 +/- 3.68   0.079% *  0.0381% (0.41   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 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   2.89 +/- 0.15  82.261% * 95.5175% (1.00  10.0 10.00   3.41  39.54) =  99.304%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.73 +/- 0.80  12.891% *  4.2578% (0.73   1.0  1.00   1.23   4.71) =   0.694%  kept
          QE    LYS+  65 - HA    ASP-  78  13.78 +/- 5.00   2.844% *  0.0358% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.28 +/- 1.44   1.266% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  20.25 +/- 4.12   0.344% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.74 +/- 2.83   0.202% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  23.90 +/- 3.16   0.193% *  0.0579% (0.61   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 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   2.73 +/- 0.22  93.210% * 99.8720% (1.00  10.0 10.00   2.31  39.54) =  99.998%  kept
          QB    CYS   50 - HA    ASP-  78  12.35 +/- 3.77   3.023% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASP-  78  11.13 +/- 1.79   2.182% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  23.49 +/- 4.48   0.518% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  21.92 +/- 4.16   1.067% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.4, residual support = 39.4:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.89 +/- 0.15  85.069% * 97.1943% (1.00  10.0 10.00   3.41  39.54) =  99.630%  kept
          HA    LEU   80 - HB2   ASP-  78   6.88 +/- 1.42  11.414% *  2.6732% (0.49   1.0  1.00   1.13   6.26) =   0.368%  kept
          HA    THR   23 - HB2   ASP-  78  13.97 +/- 4.82   1.755% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB2   ASP-  78  15.73 +/- 4.86   1.053% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  22.37 +/- 4.26   0.709% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 39.5:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  98.031% * 99.8720% (1.00  10.0 10.00   2.82  39.54) =  99.999%  kept
          QE    LYS+  74 - HB2   ASP-  78   9.79 +/- 1.82   0.850% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASP-  78  12.01 +/- 4.05   0.913% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  23.44 +/- 4.27   0.083% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  22.16 +/- 3.89   0.122% *  0.0154% (0.15   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 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   2.73 +/- 0.22  89.387% * 99.8154% (1.00  10.0 10.00   2.31  39.54) =  99.994%  kept
          HA    LEU   80 - HB3   ASP-  78   7.10 +/- 1.14   7.425% *  0.0486% (0.49   1.0  1.00   0.02   6.26) =   0.004%
          HA    THR   23 - HB3   ASP-  78  14.15 +/- 4.91   1.561% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB3   ASP-  78  15.91 +/- 4.99   0.939% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  22.59 +/- 4.33   0.688% *  0.0154% (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 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.81, residual support = 39.4:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  86.122% * 96.0960% (1.00  10.0 10.00   2.82  39.54) =  99.452%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.09 +/- 1.37  12.379% *  3.6779% (0.73   1.0  1.00   1.05   4.71) =   0.547%  kept
          QE    LYS+  65 - HB3   ASP-  78  13.16 +/- 4.58   0.815% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  13.35 +/- 2.08   0.511% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  20.01 +/- 3.60   0.076% *  0.0506% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.12 +/- 2.79   0.049% *  0.0622% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  23.30 +/- 3.37   0.049% *  0.0583% (0.61   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 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 = 56.7:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.85 +/- 0.24  95.614% * 98.4729% (1.00  10.0 10.00   4.40  56.73) =  99.994%  kept
          HG2   MET   92 - HA    GLU-  79  14.62 +/- 3.44   1.598% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HA    GLU-  79  27.22 +/- 2.26   0.124% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  18.89 +/- 4.05   0.781% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  26.65 +/- 5.33   0.288% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  17.25 +/- 5.44   0.931% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  79  17.98 +/- 3.60   0.664% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T QG    GLU-  79 - HA    GLU-  79   2.54 +/- 0.38  96.433% * 99.7507% (1.00  10.0 10.00   3.52  56.73) =  99.999%  kept
          HB    VAL  107 - HA    GLU-  79  18.24 +/- 4.26   2.016% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU-  79  19.90 +/- 3.92   1.003% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU-  79  21.68 +/- 2.99   0.199% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  23.33 +/- 5.23   0.203% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  25.46 +/- 2.64   0.146% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 56.6:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.85 +/- 0.24  89.181% * 97.2580% (1.00  10.0 10.00   4.40  56.73) =  99.852%  kept
          HB    THR   77 - HB2   GLU-  79   7.41 +/- 0.73   5.622% *  2.2281% (0.69   1.0  1.00   0.67   0.02) =   0.144%  kept
          HA    ASP-  44 - HB2   GLU-  79  11.66 +/- 1.58   1.663% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  12.37 +/- 1.38   1.294% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  18.94 +/- 4.48   0.727% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLU-  79  17.90 +/- 4.90   0.719% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  79  19.42 +/- 3.18   0.421% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  22.27 +/- 2.13   0.214% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  29.73 +/- 6.26   0.159% *  0.0551% (0.57   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 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.34 +/- 0.15  97.638% * 99.7507% (1.00  10.0 10.00   3.52  56.73) =  99.999%  kept
          HB    VAL  107 - HB2   GLU-  79  17.17 +/- 3.48   1.022% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  18.73 +/- 3.50   0.845% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLU-  79  21.23 +/- 3.79   0.166% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  22.14 +/- 4.49   0.225% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  24.55 +/- 2.90   0.105% *  0.0565% (0.57   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 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T HA    GLU-  79 - QG    GLU-  79   2.54 +/- 0.38  86.333% * 99.4064% (1.00  10.0 10.00   3.52  56.73) =  99.989%  kept
          HB    THR   77 - QG    GLU-  79   7.90 +/- 1.09   7.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HA    SER   85 - QG    GLU-  79  11.25 +/- 2.01   2.527% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QG    GLU-  79  17.57 +/- 4.38   0.977% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  11.50 +/- 1.68   1.497% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG    GLU-  79  17.01 +/- 4.60   0.814% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG    GLU-  79  17.94 +/- 3.42   0.500% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  20.55 +/- 1.83   0.205% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.75 +/- 6.21   0.146% *  0.0563% (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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.34 +/- 0.15  95.140% * 99.5443% (1.00  10.0 10.00   3.52  56.73) =  99.996%  kept
          HG2   MET   92 - QG    GLU-  79  13.13 +/- 3.24   2.401% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  25 - QG    GLU-  79  15.41 +/- 5.87   1.102% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - QG    GLU-  79  16.97 +/- 3.29   0.530% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QG    GLU-  79  16.08 +/- 3.40   0.506% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  23.85 +/- 3.18   0.105% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.55 +/- 5.50   0.216% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.69, residual support = 86.1:
    *   T QD1   LEU   80 - HA    LEU   80   2.97 +/- 0.79  88.621% * 98.6414% (0.65 10.00   5.69  86.10) =  99.976%  kept
        T QD2   LEU   98 - HA    LEU   80  14.69 +/- 2.91   1.362% *  0.9864% (0.65 10.00   0.02   0.02) =   0.015%
          QD1   LEU   73 - HA    LEU   80  11.43 +/- 3.62   6.133% *  0.0520% (0.34  1.00   0.02   0.02) =   0.004%
          QG2   VAL   41 - HA    LEU   80  14.68 +/- 2.54   1.675% *  0.1274% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU   80  15.97 +/- 2.33   0.989% *  0.1408% (0.92  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    LEU   80  16.27 +/- 3.18   1.219% *  0.0520% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.12 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.32, residual support = 85.9:
    * O   HA    LEU   80 - HB2   LEU   80   2.76 +/- 0.22  86.516% * 96.1876% (1.00  10.0   5.33  86.10) =  99.755%  kept
          HA    ASP-  78 - HB2   LEU   80   7.32 +/- 0.75   5.715% *  2.6356% (0.49   1.0   1.13   6.26) =   0.181%  kept
          HA    THR   23 - HB2   LEU   80  12.96 +/- 7.31   5.105% *  1.0105% (0.80   1.0   0.26   0.91) =   0.062%
          HB    THR   23 - HB2   LEU   80  14.91 +/- 7.24   2.100% *  0.0928% (0.97   1.0   0.02   0.91) =   0.002%
          HA    ASP- 105 - HB2   LEU   80  19.32 +/- 4.46   0.564% *  0.0735% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 4.96, residual support = 86.1:
    * O T QD1   LEU   80 - HB2   LEU   80   2.57 +/- 0.46  90.166% * 97.5236% (0.65  10.0 10.00   4.96  86.10) =  99.962%  kept
        T QG2   VAL   41 - HB2   LEU   80  13.53 +/- 2.86   1.171% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.017%
        T QD2   LEU   98 - HB2   LEU   80  13.45 +/- 3.12   1.481% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.016%
          QD1   LEU   73 - HB2   LEU   80  10.44 +/- 3.86   5.067% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU   80  15.10 +/- 3.04   0.934% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   LEU   80  15.38 +/- 3.65   1.181% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 5.62, residual support = 85.0:
    *   T HA    LEU   80 - QD1   LEU   80   2.97 +/- 0.79  62.004% * 92.7613% (0.65 10.00   5.69  86.10) =  98.702%  kept
          HA    THR   23 - QD1   LEU   80  10.98 +/- 7.29  16.628% *  3.0817% (0.52  1.00   0.83   0.91) =   0.879%  kept
          HA    ASP-  78 - QD1   LEU   80   6.93 +/- 0.78   8.681% *  1.7739% (0.31  1.00   0.79   6.26) =   0.264%  kept
          HB    THR   23 - QD1   LEU   80  12.61 +/- 7.24   5.062% *  1.6201% (0.62  1.00   0.36   0.91) =   0.141%  kept
        T HA    LEU   80 - QD2   LEU   98  14.69 +/- 2.91   0.947% *  0.5317% (0.37 10.00   0.02   0.02) =   0.009%
          HA    ASP- 105 - QD2   LEU   98   8.92 +/- 0.74   3.513% *  0.0406% (0.28  1.00   0.02   5.62) =   0.002%
          HA    ASP- 105 - QD1   LEU   80  17.18 +/- 4.08   0.914% *  0.0709% (0.49  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - QD2   LEU   98  14.51 +/- 3.76   1.018% *  0.0426% (0.30  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  15.08 +/- 3.71   0.731% *  0.0513% (0.36  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  16.64 +/- 1.74   0.502% *  0.0259% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.09 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 = 5.17, residual support = 105.1:
    * O T QB    LYS+  81 - HA    LYS+  81   2.33 +/- 0.18  91.303% * 97.5498% (1.00  10.0 10.00   5.17 105.16) =  99.988%  kept
          HB3   GLN   90 - HA    LYS+  81   8.67 +/- 3.23   4.456% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HA    LYS+  81  21.67 +/- 4.82   0.264% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LYS+  81  24.70 +/- 4.09   0.172% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    LYS+  81  15.11 +/- 2.91   0.865% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  19.15 +/- 3.59   0.274% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.66 +/- 2.88   1.151% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  20.97 +/- 4.09   0.266% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.54 +/- 3.79   0.257% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  21.13 +/- 3.29   0.241% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  22.61 +/- 4.14   0.155% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  19.94 +/- 5.20   0.294% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.64 +/- 2.73   0.057% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  23.06 +/- 3.81   0.147% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  26.52 +/- 4.20   0.098% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 105.1:
    * O T QG    LYS+  81 - HA    LYS+  81   2.74 +/- 0.65  97.240% * 98.1658% (1.00  10.0 10.00   4.25 105.16) =  99.987%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  18.28 +/- 3.36   1.044% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+  33 - HA    LYS+  81  24.55 +/- 5.10   0.234% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HA    LYS+  81  14.84 +/- 2.00   1.028% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  20.32 +/- 3.16   0.454% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.14 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.2:
    *   T QD    LYS+  81 - HA    LYS+  81   3.91 +/- 0.64  95.834% * 99.7569% (1.00 10.00   3.44 105.16) =  99.996%  kept
          HB    VAL   43 - HA    LYS+  81  13.56 +/- 1.83   3.053% *  0.0989% (0.99  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HA    LYS+  81  23.70 +/- 3.06   0.613% *  0.0995% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  81  24.63 +/- 4.36   0.500% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.2:
    *   T QE    LYS+  81 - HA    LYS+  81   4.00 +/- 0.29  90.226% * 99.9825% (1.00 10.00   3.44 105.16) =  99.998%  kept
          HB3   TRP   49 - HA    LYS+  81  16.11 +/- 5.46   9.774% *  0.0175% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 5.17 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 = 105.2:
    * O T HA    LYS+  81 - QB    LYS+  81   2.33 +/- 0.18  91.954% * 98.7606% (1.00  10.0 10.00   5.17 105.16) =  99.994%  kept
        T HA    ARG+  54 - QB    LYS+  81  19.90 +/- 4.29   0.330% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ARG+  54 - HB3   PRO   52   7.59 +/- 0.39   2.825% *  0.0733% (0.07   1.0 10.00   0.02   1.85) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  19.15 +/- 3.59   0.276% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  19.81 +/- 2.45   0.188% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  19.65 +/- 4.73   1.253% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.32 +/- 2.72   0.978% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  18.13 +/- 6.18   0.608% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  22.07 +/- 6.37   1.081% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  27.97 +/- 3.76   0.071% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  29.06 +/- 4.69   0.083% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  20.30 +/- 3.96   0.209% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  33.39 +/- 4.52   0.045% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.79 +/- 3.62   0.101% *  0.0020% (0.02   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 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 105.2:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.02  95.663% * 97.8497% (1.00  10.0 10.00   4.78 105.16) =  99.996%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  18.29 +/- 3.07   0.238% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QB    LYS+  81  23.00 +/- 4.94   0.106% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  18.17 +/- 3.85   0.275% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  20.11 +/- 3.96   0.145% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.36 +/- 1.85   0.366% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  12.08 +/- 4.79   2.702% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.52 +/- 3.38   0.051% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  19.82 +/- 3.01   0.151% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  17.60 +/- 3.56   0.302% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.2:
    * O T QD    LYS+  81 - QB    LYS+  81   2.21 +/- 0.11  98.527% * 99.6151% (1.00  10.0 10.00   3.94 105.16) =  99.999%  kept
          HB    VAL   43 - QB    LYS+  81  14.01 +/- 1.60   0.438% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  19.01 +/- 4.01   0.284% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  22.95 +/- 2.90   0.114% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.12 +/- 4.11   0.105% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  18.28 +/- 2.62   0.263% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.68 +/- 4.16   0.110% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.56 +/- 3.93   0.159% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.2:
    *     QE    LYS+  81 - QB    LYS+  81   2.78 +/- 0.67  90.413% * 99.8429% (1.00   3.94 105.16) =  99.994%  kept
          HB3   TRP   49 - QB    LYS+  81  15.17 +/- 5.28   5.233% *  0.0887% (0.18   0.02   0.02) =   0.005%
          QE    LYS+  81 - HB3   PRO   52  18.33 +/- 4.64   1.600% *  0.0581% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52  10.19 +/- 1.16   2.753% *  0.0102% (0.02   0.02   2.93) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 105.1:
    * O T HA    LYS+  81 - QG    LYS+  81   2.74 +/- 0.65  80.875% * 98.8267% (1.00  10.0 10.00   4.25 105.16) =  99.990%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.32 +/- 0.58   4.197% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+ 106  18.28 +/- 3.36   0.868% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG2   LYS+  33  26.90 +/- 8.15   3.343% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+  33  24.55 +/- 5.10   0.195% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG    LYS+  81  19.58 +/- 4.97   0.771% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG2   LYS+  33   8.91 +/- 0.80   3.520% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  28.70 +/- 5.27   0.242% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  18.19 +/- 5.92   0.918% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  28.09 +/- 3.61   0.114% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  19.68 +/- 2.72   0.414% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  21.95 +/- 5.99   0.347% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  12.32 +/- 3.84   1.685% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  20.11 +/- 3.75   0.368% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.50 +/- 3.14   0.175% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.36 +/- 2.53   0.659% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  21.39 +/- 3.08   0.258% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  24.43 +/- 3.00   0.147% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  18.90 +/- 4.03   0.459% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  25.21 +/- 2.75   0.148% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.54 +/- 3.53   0.296% *  0.0034% (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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.783, support = 5.05, residual support = 121.1:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  34.932% * 56.3196% (1.00  10.0 10.00   4.78 105.16) =  64.379%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.22 +/- 0.09  29.575% * 26.0228% (0.46  10.0 10.00   5.63 156.63) =  25.185%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.35 +/- 0.13  25.431% * 12.3644% (0.22  10.0 10.00   5.38 135.04) =  10.290%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.28 +/- 0.81   1.580% *  2.6377% (0.20   1.0  1.00   4.75  24.44) =   0.136%  kept
        T QB    LYS+ 106 - QG    LYS+  81  15.38 +/- 2.47   0.162% *  0.5619% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - QG    LYS+  81   9.46 +/- 3.19   1.039% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  33   5.52 +/- 1.13   2.509% *  0.0101% (0.18   1.0  1.00   0.02   0.30) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  21.19 +/- 4.00   0.046% *  0.5435% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   6.84 +/- 2.54   1.891% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.25 +/- 2.27   0.051% *  0.2690% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.29 +/- 3.07   0.088% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.00 +/- 4.94   0.039% *  0.2696% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  18.17 +/- 3.85   0.101% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  20.18 +/- 5.37   0.126% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  20.08 +/- 2.41   0.045% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.04 +/- 2.93   0.331% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.68 +/- 3.56   0.078% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.64 +/- 1.32   0.250% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  20.15 +/- 3.99   0.092% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.66 +/- 3.49   0.145% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.36 +/- 3.28   0.065% *  0.0470% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.34 +/- 3.80   0.045% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.00 +/- 4.85   0.078% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.37 +/- 2.28   0.113% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.26 +/- 3.28   0.059% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.48 +/- 3.16   0.054% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  20.11 +/- 3.96   0.052% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.52 +/- 3.38   0.019% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  18.23 +/- 4.61   0.084% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.07 +/- 4.76   0.065% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.74 +/- 4.20   0.077% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.09 +/- 2.57   0.018% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.96 +/- 3.66   0.020% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.56 +/- 3.03   0.017% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.13 +/- 2.81   0.023% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.07 +/- 2.22   0.124% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.81 +/- 2.91   0.033% *  0.0107% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.20 +/- 4.87   0.202% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  25.76 +/- 5.42   0.075% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.73 +/- 3.43   0.044% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  24.98 +/- 4.68   0.035% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.00 +/- 2.78   0.059% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.65 +/- 2.86   0.021% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  18.68 +/- 4.83   0.074% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.27 +/- 3.10   0.032% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 105.2:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.04  94.843% * 98.8994% (1.00  10.0 10.00   3.78 105.16) =  99.998%  kept
        T QD    LYS+  81 - HG2   LYS+  33  24.59 +/- 4.93   0.083% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.54 +/- 3.08   0.165% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  14.07 +/- 1.57   0.349% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+ 106  10.07 +/- 2.51   1.452% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  11.65 +/- 2.60   1.436% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.19 +/- 2.93   0.340% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.02 +/- 1.16   0.725% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  15.87 +/- 3.12   0.315% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  22.94 +/- 2.49   0.081% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  23.03 +/- 4.17   0.086% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  22.42 +/- 4.28   0.126% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 105.2:
    * O   QE    LYS+  81 - QG    LYS+  81   2.20 +/- 0.10  96.684% * 99.9005% (1.00  10.0   3.78 105.16) =  99.999%  kept
          HB3   TRP   49 - QG    LYS+  81  15.00 +/- 5.65   2.807% *  0.0175% (0.18   1.0   0.02   0.02) =   0.001%
          QE    LYS+  81 - HG2   LYS+  33  24.66 +/- 4.75   0.100% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.90 +/- 2.65   0.201% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  27.98 +/- 4.83   0.102% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.03 +/- 2.56   0.106% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 105.2:
    *   T HA    LYS+  81 - QD    LYS+  81   3.91 +/- 0.64  93.323% * 99.7133% (1.00 10.00   3.44 105.16) =  99.997%  kept
          HA    ARG+  54 - QD    LYS+  81  20.64 +/- 4.99   2.177% *  0.0645% (0.65  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD    LYS+  81  29.93 +/- 5.41   0.545% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  19.61 +/- 6.18   1.812% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  29.53 +/- 3.78   0.281% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  20.80 +/- 2.55   0.942% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  21.56 +/- 4.14   0.919% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.2:
    * O T QB    LYS+  81 - QD    LYS+  81   2.21 +/- 0.11  94.095% * 98.9997% (1.00  10.0 10.00   3.94 105.16) =  99.995%  kept
          HB3   GLN   90 - QD    LYS+  81   9.69 +/- 3.47   2.781% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PRO   52 - QD    LYS+  81  19.01 +/- 4.01   0.271% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.40 +/- 2.57   0.408% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  21.14 +/- 5.50   0.415% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  21.90 +/- 3.84   0.208% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.48 +/- 3.72   0.210% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  13.77 +/- 3.07   0.647% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  21.29 +/- 3.90   0.204% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  22.53 +/- 4.08   0.122% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  24.73 +/- 4.03   0.108% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.59 +/- 4.91   0.186% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.53 +/- 2.74   0.049% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.09 +/- 4.37   0.202% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  26.20 +/- 4.69   0.094% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 105.2:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.04  99.354% * 98.1658% (1.00  10.0 10.00   3.78 105.16) =  99.997%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.54 +/- 3.08   0.173% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+  81  24.59 +/- 4.93   0.087% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  15.91 +/- 1.76   0.262% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  20.69 +/- 2.79   0.125% *  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 = 105.2:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  97.988% * 99.9825% (1.00  10.0   3.00 105.16) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  15.70 +/- 6.01   2.012% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.2:
    *   T HA    LYS+  81 - QE    LYS+  81   4.00 +/- 0.29  91.476% * 99.7133% (1.00 10.00   3.44 105.16) =  99.996%  kept
          HA    ARG+  54 - QE    LYS+  81  20.09 +/- 5.76   4.063% *  0.0645% (0.65  1.00   0.02   0.02) =   0.003%
          HA    ALA  124 - QE    LYS+  81  29.28 +/- 5.12   0.429% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  19.68 +/- 5.90   1.503% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  29.54 +/- 3.57   0.255% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  21.40 +/- 4.32   1.229% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.06 +/- 2.84   1.045% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.13 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HB2   SER   82 - HA    SER   82   2.75 +/- 0.18  83.034% * 97.1708% (0.95  10.0 10.00   2.96  33.27) =  99.968%  kept
        T HA    SER   48 - HA    SER   82  17.69 +/- 5.09   0.957% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   SER   82 - HA    GLU-  25  17.32 +/- 9.53   2.511% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   88 - HA    SER   82   8.45 +/- 1.04   3.156% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    SER   48 - HA    GLU-  25  21.86 +/- 5.35   0.542% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HA    GLU-  25   7.13 +/- 0.51   5.050% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   70 - HA    SER   82  24.98 +/- 2.86   0.128% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  20.03 +/- 2.00   0.257% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  23.01 +/- 7.92   0.360% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.94 +/- 0.55   1.068% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  23.15 +/- 6.00   0.215% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.64 +/- 0.97   0.745% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  25.15 +/- 7.27   0.230% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  15.58 +/- 1.59   0.572% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  20.71 +/- 3.75   0.272% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  27.02 +/- 6.28   0.143% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  21.96 +/- 5.85   0.269% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  25.32 +/- 2.72   0.125% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.58 +/- 4.47   0.163% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  26.39 +/- 4.12   0.204% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HB3   SER   82 - HA    SER   82   2.87 +/- 0.20  86.703% * 98.8194% (1.00  10.0 10.00   2.00  33.27) =  99.982%  kept
        T HB3   SER   82 - HA    GLU-  25  16.95 +/- 9.38   3.459% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.013%
          HA    ILE   89 - HA    SER   82  10.83 +/- 0.96   1.740% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  20.50 +/- 3.86   0.432% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - HA    GLU-  25  18.01 +/- 4.85   1.773% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.55 +/- 0.44   2.494% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    SER   82  23.11 +/- 6.57   0.350% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  21.59 +/- 3.81   0.300% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.74 +/- 3.77   0.212% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  26.30 +/- 3.44   0.140% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.69 +/- 5.39   0.130% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.51 +/- 1.59   0.368% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  18.12 +/- 1.65   0.385% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  28.50 +/- 4.36   0.117% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  24.98 +/- 4.80   0.729% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  21.38 +/- 4.50   0.315% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  23.55 +/- 2.64   0.196% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.75 +/- 4.76   0.157% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HA    SER   82 - HB2   SER   82   2.75 +/- 0.18  81.727% * 97.8439% (0.95  10.0 10.00   2.96  33.27) =  99.970%  kept
        T HA    GLU-  25 - HB2   SER   82  17.32 +/- 9.53   2.477% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.018%
        T HA    SER   82 - HA    SER   48  17.69 +/- 5.09   0.945% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU-  25 - HA    SER   48  21.86 +/- 5.35   0.535% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HA    SER   48   8.82 +/- 2.07   6.457% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  25 - HA    VAL   70  20.03 +/- 2.00   0.253% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  24.98 +/- 2.86   0.126% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - HA    SER   48  13.95 +/- 4.25   2.828% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HA    VAL   70  11.64 +/- 2.15   1.532% *  0.0128% (0.12   1.0  1.00   0.02   0.11) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.55 +/- 1.58   1.491% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  21.97 +/- 5.33   0.240% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  18.19 +/- 3.26   0.392% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  22.38 +/- 3.07   0.197% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.85 +/- 3.46   0.229% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  18.89 +/- 3.43   0.570% *  0.0059% (0.06   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 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  78.871% * 96.7159% (0.95  10.0 10.00   2.33  33.27) =  99.987%  kept
        T HD3   PRO   52 - HA    SER   48   8.80 +/- 0.97   0.697% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   39 - HA    VAL   70   6.68 +/- 2.48   6.776% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   SER   37 - HA    VAL   70  10.47 +/- 2.46   0.621% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   SER   82 - HA    SER   48  18.01 +/- 5.26   0.187% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HA    SER   48   6.69 +/- 2.24   7.610% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    SER   48  17.26 +/- 3.94   3.333% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    VAL   70  15.07 +/- 2.26   0.159% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  22.44 +/- 3.75   0.053% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.40 +/- 0.76   0.229% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  23.05 +/- 4.48   0.066% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  24.25 +/- 3.54   0.037% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  14.84 +/- 2.49   0.216% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  21.83 +/- 7.45   0.110% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  13.30 +/- 2.27   0.288% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.38 +/- 4.24   0.034% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  27.62 +/- 5.80   0.032% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  23.52 +/- 3.80   0.048% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  27.43 +/- 5.27   0.029% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.34 +/- 3.63   0.063% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  24.73 +/- 4.09   0.039% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  17.32 +/- 3.55   0.171% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.96 +/- 4.05   0.088% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  23.91 +/- 3.00   0.046% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  21.12 +/- 2.37   0.053% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  26.16 +/- 3.49   0.030% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  18.79 +/- 3.58   0.114% *  0.0066% (0.07   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 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HA    SER   82 - HB3   SER   82   2.87 +/- 0.20  95.241% * 99.1601% (1.00  10.0 10.00   2.00  33.27) =  99.975%  kept
        T HA    GLU-  25 - HB3   SER   82  16.95 +/- 9.38   3.800% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.024%
        T HA    CYS   53 - HB3   SER   82  21.69 +/- 3.42   0.339% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  21.58 +/- 5.57   0.361% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  22.10 +/- 3.00   0.259% *  0.0276% (0.28   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 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.656% * 97.6038% (0.95  10.0 10.00   2.33  33.27) =  99.996%  kept
        T HA    SER   48 - HB3   SER   82  18.01 +/- 5.26   0.232% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HB3   SER   82  21.37 +/- 3.66   0.077% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82  10.39 +/- 0.78   0.497% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  24.25 +/- 3.54   0.046% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  21.38 +/- 8.54   0.201% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  23.82 +/- 7.71   0.104% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  22.10 +/- 6.58   0.082% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  25.58 +/- 6.98   0.063% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  25.51 +/- 3.30   0.041% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.5:
    * O T HB    VAL   83 - HA    VAL   83   2.85 +/- 0.15  94.075% * 96.5761% (0.90  10.0 10.00   3.97  85.49) =  99.969%  kept
        T QD    LYS+  65 - HA    VAL   83  17.72 +/- 4.24   1.214% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.014%
        T HD2   LYS+  74 - HA    VAL   83  15.57 +/- 2.92   1.150% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.010%
        T QB    ALA   57 - HA    VAL   83  18.88 +/- 3.97   0.647% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HA    VAL   83  23.74 +/- 4.52   0.220% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  18.33 +/- 4.51   0.672% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  23.76 +/- 3.41   0.226% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  21.95 +/- 4.86   0.482% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.53 +/- 1.84   0.621% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  20.98 +/- 5.46   0.405% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  27.34 +/- 3.45   0.146% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  28.44 +/- 3.83   0.142% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.5:
    * O T QG1   VAL   83 - HA    VAL   83   2.21 +/- 0.26  86.870% * 99.1330% (0.87  10.0 10.00   4.18  85.49) =  99.957%  kept
          QD2   LEU   80 - HA    VAL   83   6.15 +/- 0.99   6.276% *  0.5470% (0.80   1.0  1.00   0.12   0.11) =   0.040%
          QG2   ILE   89 - HA    VAL   83   6.66 +/- 0.50   4.005% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  11.87 +/- 3.33   1.478% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  17.01 +/- 3.23   0.494% *  0.1103% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    VAL   83  17.10 +/- 3.36   0.616% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  17.49 +/- 1.92   0.262% *  0.0873% (0.76   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 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 85.4:
    * O T QG2   VAL   83 - HA    VAL   83   2.79 +/- 0.30  86.852% * 98.4576% (1.00  10.0 10.00   4.36  85.49) =  99.836%  kept
          QD1   ILE   89 - HA    VAL   83   6.69 +/- 1.23   9.390% *  1.4710% (0.90   1.0  1.00   0.33   0.02) =   0.161%  kept
          QD2   LEU   31 - HA    VAL   83  13.31 +/- 5.96   3.759% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.5:
    * O T HA    VAL   83 - HB    VAL   83   2.85 +/- 0.15  97.855% * 97.8171% (0.90  10.0 10.00   3.97  85.49) =  99.990%  kept
        T HD2   PRO   58 - HB    VAL   83  21.23 +/- 3.77   0.537% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU- 100 - HB    VAL   83  20.85 +/- 3.99   0.358% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB    VAL   83  23.39 +/- 4.48   0.232% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  17.73 +/- 3.48   1.018% *  0.0439% (0.40   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 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 85.4:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.01  76.604% * 99.1330% (0.78  10.0 10.00   4.27  85.49) =  99.866%  kept
          QD2   LEU   80 - HB    VAL   83   4.22 +/- 1.13  18.196% *  0.5470% (0.72   1.0  1.00   0.12   0.11) =   0.131%  kept
          QG2   ILE   89 - HB    VAL   83   6.38 +/- 0.65   3.099% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  10.56 +/- 3.32   1.268% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  16.83 +/- 3.07   0.208% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.73 +/- 3.60   0.426% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  16.58 +/- 2.19   0.200% *  0.0873% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 4.44, residual support = 85.4:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.02  93.572% * 98.4576% (0.90  10.0 10.00   4.44  85.49) =  99.929%  kept
          QD1   ILE   89 - HB    VAL   83   6.71 +/- 1.12   4.379% *  1.4710% (0.80   1.0  1.00   0.33   0.02) =   0.070%
          QD2   LEU   31 - HB    VAL   83  12.52 +/- 5.66   2.049% *  0.0715% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.5:
    * O T HA    VAL   83 - QG1   VAL   83   2.21 +/- 0.26  98.417% * 99.7372% (0.87  10.0 10.00   4.18  85.49) =  99.999%  kept
          HA    GLU- 100 - QG1   VAL   83  16.60 +/- 3.89   0.405% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.01 +/- 3.23   0.346% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  15.42 +/- 2.89   0.572% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  18.88 +/- 4.23   0.260% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 85.5:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.01  95.010% * 99.3915% (0.78  10.0 10.00   4.27  85.49) =  99.997%  kept
          QD    LYS+  65 - QG1   VAL   83  13.64 +/- 3.21   0.970% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QG1   VAL   83  11.63 +/- 2.42   0.965% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG1   VAL   83  14.95 +/- 3.62   0.662% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  18.87 +/- 3.08   0.195% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  15.13 +/- 3.69   0.485% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  18.81 +/- 3.80   0.194% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  18.47 +/- 4.46   0.332% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.70 +/- 1.99   0.507% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  16.14 +/- 4.79   0.434% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  21.85 +/- 3.36   0.125% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  22.74 +/- 3.65   0.121% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.54, residual support = 83.2:
    * O T QG2   VAL   83 - QG1   VAL   83   2.05 +/- 0.05  79.863% * 86.9470% (0.87  10.0 10.00   4.65  85.49) =  97.300%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.92 +/- 1.36  14.806% * 12.9898% (0.78   1.0 10.00   0.33   0.02) =   2.695%  kept
          QD2   LEU   31 - QG1   VAL   83   9.85 +/- 5.04   5.331% *  0.0631% (0.63   1.0  1.00   0.02   0.02) =   0.005%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 85.5:
    * O T HA    VAL   83 - QG2   VAL   83   2.79 +/- 0.30  96.610% * 99.7372% (1.00  10.0 10.00   4.36  85.49) =  99.998%  kept
          HD2   PRO   58 - QG2   VAL   83  16.69 +/- 2.86   0.805% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG2   VAL   83  13.92 +/- 2.46   1.479% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QG2   VAL   83  16.50 +/- 3.22   0.658% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG2   VAL   83  18.71 +/- 3.61   0.448% *  0.0197% (0.20   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 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.44, residual support = 85.5:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.02  92.578% * 99.3915% (0.90  10.0 10.00   4.44  85.49) =  99.994%  kept
          QD    LYS+  65 - QG2   VAL   83  12.71 +/- 3.48   2.250% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - QG2   VAL   83  10.62 +/- 2.54   1.676% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QG2   VAL   83  13.83 +/- 3.37   0.813% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  16.70 +/- 4.05   0.481% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  17.95 +/- 2.59   0.196% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  11.76 +/- 1.64   0.821% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  14.91 +/- 3.31   0.435% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  18.65 +/- 3.18   0.173% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  16.18 +/- 4.04   0.345% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  20.90 +/- 2.51   0.118% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  21.79 +/- 2.83   0.112% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 4.62, residual support = 84.8:
    * O T QG1   VAL   83 - QG2   VAL   83   2.05 +/- 0.05  68.799% * 93.9439% (0.87  10.0 10.00   4.65  85.49) =  99.129%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.14 +/- 0.40   8.915% *  5.2614% (0.25   1.0 10.00   0.39   0.02) =   0.719%  kept
          QD2   LEU   80 - QG2   VAL   83   4.24 +/- 1.28  18.632% *  0.5183% (0.80   1.0  1.00   0.12   0.11) =   0.148%  kept
          QD1   LEU   73 - QG2   VAL   83   8.33 +/- 2.60   2.141% *  0.0445% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  12.93 +/- 2.48   0.398% *  0.1045% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - QG2   VAL   83  12.20 +/- 2.80   0.773% *  0.0445% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QG2   VAL   83  12.75 +/- 1.59   0.341% *  0.0828% (0.76   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 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.79, residual support = 17.7:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  91.138% * 99.1332% (0.93  10.0 10.00   2.79  17.73) =  99.994%  kept
          HB3   LEU   80 - HA    ALA   84   6.32 +/- 1.02   4.272% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HA    ALA   84  11.98 +/- 1.89   0.682% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ALA   84  12.08 +/- 1.48   0.626% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   84  15.68 +/- 3.36   0.294% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  13.88 +/- 3.43   0.658% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  17.85 +/- 2.03   0.178% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  19.38 +/- 5.43   0.231% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  17.78 +/- 3.12   0.267% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  18.36 +/- 4.70   0.474% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  14.54 +/- 2.10   0.344% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  24.96 +/- 2.80   0.069% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  19.06 +/- 3.69   0.217% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  16.19 +/- 2.22   0.237% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.72 +/- 4.14   0.166% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.97 +/- 3.17   0.095% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  26.39 +/- 3.04   0.053% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.79, residual support = 17.7:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  97.728% * 99.6067% (0.93  10.0 10.00   2.79  17.73) =  99.998%  kept
          HB2   TRP   49 - QB    ALA   84  14.23 +/- 3.90   1.208% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QB    ALA   84  12.86 +/- 2.84   0.692% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - QB    ALA   84  17.73 +/- 2.20   0.206% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.15 +/- 1.39   0.166% *  0.1012% (0.95   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 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 +/- 0.11  51.914% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.967%  kept
          HA    ALA   88 - HA    SER   85   2.71 +/- 0.97  45.964% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.025%
        T QB    SER   48 - HA    SER   85  15.99 +/- 3.90   0.447% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   52 - HA    SER   85  19.56 +/- 3.71   0.133% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  11.01 +/- 1.86   0.727% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA2   GLY   51 - HA    SER   85  22.35 +/- 3.57   0.080% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    SER   85  20.09 +/- 2.87   0.120% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  22.19 +/- 4.30   0.105% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  29.40 +/- 6.41   0.068% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  26.68 +/- 2.97   0.046% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  17.69 +/- 3.78   0.280% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  25.68 +/- 5.96   0.067% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  26.87 +/- 3.49   0.047% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.40 +/- 0.11  64.360% * 91.4174% (1.00  10.0 10.00   2.26  18.03) =  98.789%  kept
          HA    ASP-  86 - QB    SER   85   4.06 +/- 0.24  14.273% *  4.9668% (0.38   1.0  1.00   2.90  13.43) =   1.190%  kept
        T HA    ILE  103 - QB    SER   85  17.67 +/- 3.43   0.232% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   48  10.16 +/- 3.95   7.388% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.003%
        T HA1   GLY   51 - QB    SER   48   8.70 +/- 0.71   1.444% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   85 - QB    SER   48  15.99 +/- 3.90   0.686% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   85  11.00 +/- 2.63   1.047% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  20.39 +/- 3.41   0.148% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  15.62 +/- 4.33   0.418% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.53 +/- 0.75   0.823% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   48  11.97 +/- 4.69   3.356% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  20.73 +/- 2.93   0.234% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  24.67 +/- 2.94   0.069% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  14.48 +/- 1.42   0.324% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  22.06 +/- 4.11   0.161% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  20.09 +/- 2.87   0.134% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  11.82 +/- 1.35   0.642% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  17.65 +/- 1.82   0.191% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  21.38 +/- 3.24   0.110% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  16.99 +/- 3.70   0.560% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.02 +/- 2.03   0.503% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.86 +/- 2.48   0.964% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.36 +/- 6.55   0.039% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  21.08 +/- 4.33   0.329% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  18.06 +/- 3.37   0.275% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.57 +/- 2.87   0.111% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.48 +/- 6.01   0.079% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.66 +/- 5.93   0.042% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.22 +/- 1.43   0.493% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  28.29 +/- 4.66   0.054% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.18 +/- 5.16   0.169% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  26.85 +/- 5.71   0.087% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  20.93 +/- 3.11   0.128% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.09 +/- 4.74   0.035% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  31.18 +/- 3.94   0.042% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  27.14 +/- 3.10   0.053% *  0.0044% (0.05   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 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   2.97 +/- 0.13  96.457% * 99.6568% (1.00  10.0 10.00   3.55  42.50) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  19.40 +/- 7.67   1.042% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  86  20.71 +/- 4.48   0.543% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASP-  86  14.93 +/- 1.96   1.363% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  25.82 +/- 7.05   0.276% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  23.32 +/- 5.49   0.319% *  0.0685% (0.69   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 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   2.70 +/- 0.17  95.857% * 98.9853% (1.00  10.0 10.00   2.31  42.50) =  99.997%  kept
        T HB3   ASP-  62 - HA    ASP-  86  22.84 +/- 3.04   0.212% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HA    ASP-  86  12.98 +/- 1.47   1.178% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  12.88 +/- 4.20   1.496% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    ASP-  86  22.66 +/- 7.28   0.382% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  21.32 +/- 3.82   0.328% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.57 +/- 2.34   0.422% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  28.66 +/- 6.38   0.125% *  0.0173% (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 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.97 +/- 0.13  81.897% * 94.7258% (1.00  10.0 10.00   3.55  42.50) =  99.288%  kept
          HA    SER   85 - HB2   ASP-  86   5.82 +/- 0.29  11.364% *  4.8666% (0.38   1.0  1.00   2.74  13.43) =   0.708%  kept
          HA    LEU  104 - HB2   ASP-  86  17.88 +/- 5.07   1.285% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   ASP-  86  11.98 +/- 2.41   2.365% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ASP-  86  12.92 +/- 2.23   1.337% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  86  15.14 +/- 4.70   1.388% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  27.94 +/- 5.75   0.161% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  31.99 +/- 6.92   0.109% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  34.01 +/- 7.63   0.094% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  97.892% * 99.6638% (1.00  10.0 10.00   2.85  42.50) =  99.999%  kept
          HB3   PHE   45 - HB2   ASP-  86  10.94 +/- 1.63   0.734% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  11.00 +/- 4.19   0.837% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  20.95 +/- 6.83   0.126% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  20.48 +/- 2.79   0.078% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  19.83 +/- 3.88   0.111% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  15.73 +/- 2.41   0.181% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  26.80 +/- 6.20   0.041% *  0.0175% (0.18   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 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 2.31, residual support = 42.3:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.70 +/- 0.17  86.053% * 94.7255% (1.00  10.0 10.00   2.31  42.50) =  99.445%  kept
          HA    SER   85 - HB3   ASP-  86   5.81 +/- 0.33   9.310% *  4.8668% (0.38   1.0  1.00   2.74  13.43) =   0.553%  kept
          HB    THR   77 - HB3   ASP-  86  12.39 +/- 2.81   1.928% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB3   ASP-  86  18.79 +/- 4.94   0.583% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  13.76 +/- 2.34   0.866% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  15.99 +/- 4.75   0.900% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  28.28 +/- 6.46   0.175% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  32.24 +/- 7.55   0.095% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  34.26 +/- 8.16   0.089% *  0.0461% (0.49   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 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  98.767% * 99.6568% (1.00  10.0 10.00   2.85  42.50) =  99.999%  kept
          HB2   ASN   28 - HB3   ASP-  86  17.88 +/- 7.83   0.344% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  19.07 +/- 4.45   0.186% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  13.38 +/- 2.13   0.542% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  21.87 +/- 5.83   0.089% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  24.58 +/- 7.15   0.072% *  0.0832% (0.84   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 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB2   TRP   87 - HA    TRP   87   2.31 +/- 0.09  99.820% * 99.9010% (1.00  10.0 10.00   4.31  70.62) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  20.11 +/- 2.41   0.180% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB3   TRP   87 - HA    TRP   87   2.96 +/- 0.08  99.080% * 99.8563% (1.00  10.0 10.00   4.31  70.62) =  99.999%  kept
          HG3   GLN  116 - HA    TRP   87  22.38 +/- 3.80   0.523% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    TRP   87  21.68 +/- 5.57   0.397% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB2   TRP   87   2.31 +/- 0.09  96.386% * 99.8808% (1.00  10.0 10.00   4.31  70.62) =  99.998%  kept
          HA    LEU  104 - HB2   TRP   87  14.48 +/- 5.22   3.265% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HB2   TRP   87  19.28 +/- 3.49   0.234% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  27.92 +/- 5.71   0.114% *  0.0135% (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 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.753% * 99.8563% (1.00  10.0 10.00   4.00  70.62) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  20.85 +/- 3.55   0.163% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  21.24 +/- 4.84   0.084% *  0.0448% (0.45   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 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB3   TRP   87   2.96 +/- 0.08  95.792% * 99.3033% (1.00  10.0 10.00   4.31  70.62) =  99.995%  kept
        T HA    PHE   59 - HB3   TRP   87  18.85 +/- 3.28   0.535% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  104 - HB3   TRP   87  15.42 +/- 4.74   3.472% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB3   TRP   87  27.78 +/- 5.29   0.200% *  0.0134% (0.14   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 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.877% * 99.9010% (1.00  10.0 10.00   4.00  70.62) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  17.89 +/- 2.65   0.123% *  0.0990% (0.99   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 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.32, residual support = 12.0:
    * O T QB    ALA   88 - HA    ALA   88   2.12 +/- 0.01  97.401% * 99.6403% (1.00  10.0 10.00   2.32  12.02) =  99.998%  kept
          QG2   THR   77 - HA    ALA   88  10.46 +/- 2.52   1.267% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ALA   88  11.15 +/- 1.01   0.728% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  18.22 +/- 3.24   0.225% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  23.68 +/- 3.68   0.081% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  22.19 +/- 5.71   0.145% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  28.77 +/- 3.61   0.044% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.23 +/- 2.18   0.109% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.32, residual support = 12.0:
    * O T HA    ALA   88 - QB    ALA   88   2.12 +/- 0.01  91.005% * 97.3461% (1.00  10.0 10.00   2.32  12.02) =  99.986%  kept
        T HB2   SER   82 - QB    ALA   88  10.33 +/- 0.59   0.823% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HA    SER   48 - QB    ALA   88  15.53 +/- 2.21   0.343% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - QB    ALA   88  16.22 +/- 3.21   0.332% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   85 - QB    ALA   88   5.26 +/- 0.45   6.573% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  21.69 +/- 4.45   0.122% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  20.04 +/- 3.97   0.186% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  19.02 +/- 3.57   0.190% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.60 +/- 5.62   0.222% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  21.22 +/- 4.10   0.123% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  23.59 +/- 3.37   0.078% *  0.0300% (0.31   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 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.7:
    * O T HB    ILE   89 - HA    ILE   89   2.89 +/- 0.14  93.433% * 99.6008% (0.80  10.0 10.00   5.44 215.77) =  99.990%  kept
        T HB    VAL   43 - HA    ILE   89  10.78 +/- 2.98   2.907% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.009%
          QD    LYS+  81 - HA    ILE   89  11.14 +/- 1.93   2.213% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  15.59 +/- 2.78   0.783% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  20.16 +/- 2.91   0.320% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  19.74 +/- 2.96   0.343% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 215.8:
    * O T QG2   ILE   89 - HA    ILE   89   2.57 +/- 0.33  95.944% * 99.9320% (1.00  10.0 10.00   6.43 215.77) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   8.60 +/- 0.98   3.432% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    ILE   89  15.70 +/- 2.57   0.624% *  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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 215.8:
    * O T HG12  ILE   89 - HA    ILE   89   2.73 +/- 0.65  92.144% * 99.3078% (1.00  10.0 10.00   5.75 215.77) =  99.995%  kept
          HD2   LYS+ 112 - HA    ILE   89  17.30 +/- 4.35   4.515% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HA    ILE   89  14.54 +/- 2.61   1.354% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   89  22.09 +/- 2.94   0.242% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  15.40 +/- 2.82   0.907% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  22.29 +/- 3.54   0.334% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  22.08 +/- 3.14   0.277% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.69 +/- 3.26   0.226% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.7:
    * O T HA    ILE   89 - HB    ILE   89   2.89 +/- 0.14  87.266% * 99.2091% (0.80  10.0 10.00   5.44 215.77) =  99.989%  kept
        T HA    ILE   89 - HB    VAL   43  10.78 +/- 2.98   2.715% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.007%
          HB3   SER   82 - HB    ILE   89  10.53 +/- 1.42   2.192% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - HB    ILE   89  16.52 +/- 3.01   0.577% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HB    ILE   89  22.51 +/- 2.71   0.211% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  14.42 +/- 3.56   1.143% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.76 +/- 1.28   0.922% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.65 +/- 2.92   1.150% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.86 +/- 4.20   0.160% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  25.34 +/- 3.05   0.149% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  16.83 +/- 3.33   0.617% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.65 +/- 1.64   0.523% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.14 +/- 3.71   0.432% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  21.27 +/- 3.81   0.288% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  13.66 +/- 2.84   1.146% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.74 +/- 2.44   0.508% *  0.0043% (0.03   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 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.9, residual support = 215.7:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  87.842% * 99.5317% (0.80  10.0 10.00   5.90 215.77) =  99.988%  kept
        T QG2   ILE   89 - HB    VAL   43   7.71 +/- 2.28   3.322% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   83 - HB    ILE   89   6.92 +/- 1.24   4.265% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU  104 - HB    VAL   43   9.74 +/- 1.74   1.518% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB    ILE   89  15.11 +/- 2.44   0.316% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL   43   8.64 +/- 2.73   2.736% *  0.0114% (0.09   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 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.17, residual support = 215.7:
    * O T HG12  ILE   89 - HB    ILE   89   2.67 +/- 0.23  81.179% * 98.9436% (0.80  10.0 10.00   5.17 215.77) =  99.982%  kept
        T HG12  ILE   89 - HB    VAL   43   9.30 +/- 3.43   4.525% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.012%
          HD2   LYS+ 112 - HB    ILE   89  17.66 +/- 4.29   2.966% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   89  21.14 +/- 2.86   0.199% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  15.62 +/- 2.61   0.757% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  13.82 +/- 1.33   0.725% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  13.68 +/- 2.63   0.880% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.29 +/- 1.55   3.328% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  20.75 +/- 3.79   0.281% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  12.56 +/- 2.36   1.238% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  12.16 +/- 1.89   1.329% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  20.53 +/- 3.29   0.264% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.98 +/- 2.33   0.372% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.59 +/- 3.67   1.259% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  21.07 +/- 3.67   0.252% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  18.01 +/- 3.05   0.446% *  0.0067% (0.05   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 215.8:
    * O T HA    ILE   89 - QG2   ILE   89   2.57 +/- 0.33  94.019% * 99.5272% (1.00  10.0 10.00   6.43 215.77) =  99.996%  kept
          HB3   SER   82 - QG2   ILE   89   9.09 +/- 0.76   2.867% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  13.10 +/- 2.14   0.904% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   ILE   89  18.67 +/- 2.23   0.325% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  21.04 +/- 2.39   0.223% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  22.09 +/- 3.26   0.234% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  13.10 +/- 2.55   0.981% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  17.62 +/- 2.98   0.447% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.9, residual support = 215.7:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  93.226% * 99.0138% (0.80  10.0 10.00   5.90 215.77) =  99.987%  kept
        T HB    VAL   43 - QG2   ILE   89   7.71 +/- 2.28   3.524% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LYS+  99 - QG2   ILE   89  16.42 +/- 2.15   0.222% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   8.40 +/- 1.63   2.145% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QG2   ILE   89  16.00 +/- 2.22   0.243% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QG2   ILE   89  12.00 +/- 1.86   0.640% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.24, residual support = 215.7:
    * O T HG12  ILE   89 - QG2   ILE   89   2.98 +/- 0.30  84.550% * 99.3078% (1.00  10.0 10.00   6.25 215.77) =  99.990%  kept
          HG3   LYS+ 111 - QG2   ILE   89  12.23 +/- 2.04   2.493% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - QG2   ILE   89  13.75 +/- 3.53   7.558% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - QG2   ILE   89  17.96 +/- 2.21   0.456% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   89  10.68 +/- 2.58   2.829% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  17.09 +/- 2.95   0.710% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  16.85 +/- 2.58   0.677% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  17.11 +/- 3.10   0.728% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 215.7:
    * O T HA    ILE   89 - HG12  ILE   89   2.73 +/- 0.65  75.264% * 98.5945% (1.00  10.0 10.00   5.75 215.77) =  99.966%  kept
        T HB    THR   39 - HG3   LYS+  99  11.30 +/- 4.22   4.175% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.022%
          HB3   SER   37 - HG3   LYS+  99  13.32 +/- 4.79  13.841% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.007%
          HB3   SER   82 - HG12  ILE   89  11.61 +/- 1.57   2.008% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE   89 - HG3   LYS+  99  22.09 +/- 2.94   0.186% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  15.78 +/- 4.00   0.647% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG3   LYS+  99  20.45 +/- 5.91   0.804% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  22.54 +/- 3.07   0.189% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  18.86 +/- 4.73   0.486% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  17.06 +/- 3.34   0.699% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  25.43 +/- 3.34   0.134% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  27.23 +/- 3.98   0.098% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.98 +/- 3.18   0.916% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  21.69 +/- 3.33   0.248% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.83 +/- 3.78   0.132% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.65 +/- 5.00   0.174% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.64, support = 5.24, residual support = 205.6:
    * O T HB    ILE   89 - HG12  ILE   89   2.67 +/- 0.23  30.043% * 78.0851% (0.80  10.0 10.00   5.17 215.77) =  75.973%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.49 +/- 0.29  38.150% * 14.8429% (0.15  10.0  1.00   5.14 173.76) =  18.338%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.79 +/- 0.25  28.715% *  6.1021% (0.06  10.0 10.00   6.42 173.76) =   5.675%  kept
        T HB    VAL   43 - HG12  ILE   89   9.30 +/- 3.43   1.675% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HB    ILE   89 - HG3   LYS+  99  21.14 +/- 2.86   0.066% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - HG3   LYS+  99  13.82 +/- 1.33   0.230% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG12  ILE   89  18.16 +/- 3.65   0.111% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  11.21 +/- 1.91   0.569% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  20.35 +/- 3.42   0.081% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.18 +/- 2.89   0.225% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.59 +/- 3.48   0.101% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.23 +/- 2.78   0.035% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.23, residual support = 215.1:
    * O T QG2   ILE   89 - HG12  ILE   89   2.98 +/- 0.30  56.945% * 98.9342% (1.00  10.0 10.00   6.25 215.77) =  99.675%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.97 +/- 0.83  30.648% *  0.5761% (0.06   1.0  1.00   1.86  18.80) =   0.312%  kept
          QG1   VAL   83 - HG12  ILE   89   7.68 +/- 1.65  11.111% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.010%
        T QG2   ILE   89 - HG3   LYS+  99  17.96 +/- 2.21   0.278% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG12  ILE   89  14.42 +/- 3.02   0.669% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  17.81 +/- 3.30   0.349% *  0.0211% (0.21   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 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.8:
    * O T HB2   GLN   90 - HA    GLN   90   2.64 +/- 0.19  95.658% * 98.5005% (0.78  10.0 10.00   3.96  89.80) =  99.952%  kept
        T HB3   GLU-  79 - HA    GLN   90  11.89 +/- 3.18   3.874% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.048%
          HB3   GLU-  29 - HA    GLN   90  25.66 +/- 4.24   0.137% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.78 +/- 2.36   0.103% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  25.04 +/- 4.37   0.152% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.38 +/- 1.97   0.075% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.8:
    * O T HB3   GLN   90 - HA    GLN   90   2.71 +/- 0.29  84.895% * 99.0333% (0.82  10.0 10.00   3.96  89.80) =  99.984%  kept
          QB    LYS+  81 - HA    GLN   90   8.50 +/- 2.81   6.057% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.008%
          HB2   MET   92 - HA    GLN   90   7.95 +/- 0.71   4.244% *  0.0577% (0.48   1.0  1.00   0.02   0.11) =   0.003%
          QB    LYS+ 106 - HA    GLN   90  12.27 +/- 1.89   1.236% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HA    GLN   90  18.53 +/- 3.74   0.904% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    GLN   90  18.22 +/- 2.75   0.549% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    GLN   90  23.91 +/- 5.06   0.631% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  19.79 +/- 3.84   0.386% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  17.91 +/- 2.63   0.393% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  21.31 +/- 3.63   0.228% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  23.81 +/- 2.75   0.146% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.36 +/- 3.58   0.252% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.52 +/- 1.96   0.079% *  0.0990% (0.82   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.8:
    * O T QG    GLN   90 - HA    GLN   90   2.69 +/- 0.55  94.091% * 99.3855% (0.88  10.0 10.00   3.29  89.80) =  99.997%  kept
          HB2   ASP-  44 - HA    GLN   90  12.90 +/- 1.91   1.312% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - HA    GLN   90   8.88 +/- 0.78   3.184% *  0.0171% (0.15   1.0  1.00   0.02   0.11) =   0.001%
          HB3   PHE   72 - HA    GLN   90  18.80 +/- 2.12   0.431% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.28 +/- 4.00   0.192% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  18.81 +/- 2.16   0.323% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.85 +/- 4.37   0.142% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  31.79 +/- 4.75   0.098% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  24.54 +/- 4.32   0.227% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.8:
    * O T HA    GLN   90 - HB2   GLN   90   2.64 +/- 0.19  90.209% * 98.8405% (0.78  10.0 10.00   3.96  89.80) =  99.967%  kept
        T HA    GLN   90 - HB3   GLU-  79  11.89 +/- 3.18   3.655% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.029%
          HA    ALA  110 - HB2   GLN   90  13.65 +/- 3.68   1.595% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - HB2   GLN   90  21.49 +/- 4.38   0.563% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  18.70 +/- 4.04   2.021% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  19.03 +/- 3.20   0.325% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.56 +/- 1.75   0.524% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.22 +/- 4.17   0.243% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.25 +/- 1.51   0.304% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.11 +/- 1.73   0.562% *  0.0156% (0.12   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 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.8:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  91.410% * 96.7995% (0.67  10.0 10.00   3.98  89.80) =  99.987%  kept
        T HB3   GLN   90 - HB3   GLU-  79  13.45 +/- 3.41   0.746% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.006%
          QB    LYS+  81 - HB2   GLN   90   9.20 +/- 3.20   1.584% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HB3   GLU-  79   6.78 +/- 0.96   1.905% *  0.0752% (0.52   1.0  1.00   0.02   1.24) =   0.002%
          HB2   MET   92 - HB2   GLN   90   8.85 +/- 0.95   0.802% *  0.0564% (0.39   1.0  1.00   0.02   0.11) =   0.001%
          QB    LYS+ 106 - HB3   GLU-  79  15.72 +/- 3.42   0.430% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.15 +/- 1.89   0.255% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  19.72 +/- 4.11   0.240% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  20.69 +/- 4.64   0.379% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  14.40 +/- 3.23   0.438% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.34 +/- 1.65   0.018% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  20.54 +/- 5.50   0.272% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  16.11 +/- 4.60   0.226% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  19.38 +/- 2.90   0.125% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  20.56 +/- 4.70   0.308% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  19.86 +/- 4.15   0.161% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.69 +/- 3.39   0.094% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  20.91 +/- 4.32   0.102% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  19.10 +/- 3.69   0.100% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  19.01 +/- 2.65   0.083% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  25.75 +/- 4.93   0.076% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  23.33 +/- 3.52   0.048% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.45 +/- 3.62   0.078% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  25.58 +/- 2.61   0.032% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  25.68 +/- 2.10   0.031% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.74 +/- 3.66   0.055% *  0.0358% (0.25   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 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.8:
    * O T QG    GLN   90 - HB2   GLN   90   2.41 +/- 0.14  91.230% * 96.7466% (0.72  10.0 10.00   3.61  89.80) =  99.983%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.86 +/- 2.87   1.474% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.012%
        T QB    MET   11 - HB3   GLU-  79  26.24 +/- 6.05   0.159% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.21 +/- 1.65   0.970% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  18.76 +/- 5.42   0.359% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  14.92 +/- 1.42   0.436% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   GLN   90  33.54 +/- 4.74   0.042% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.58 +/- 0.81   1.643% *  0.0166% (0.12   1.0  1.00   0.02   0.11) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  16.11 +/- 1.32   0.336% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.09 +/- 3.65   2.045% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  21.69 +/- 5.60   0.285% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  26.48 +/- 4.37   0.089% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.81 +/- 1.81   0.154% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.92 +/- 3.86   0.191% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  19.96 +/- 2.59   0.198% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  20.18 +/- 2.82   0.236% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.02 +/- 3.95   0.083% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.64 +/- 4.31   0.069% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.8:
    * O T HA    GLN   90 - HB3   GLN   90   2.71 +/- 0.29  95.279% * 99.7400% (0.82  10.0 10.00   3.96  89.80) =  99.996%  kept
          HA    ALA  110 - HB3   GLN   90  13.57 +/- 3.68   2.689% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   55 - HB3   GLN   90  21.62 +/- 4.22   0.745% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   90  17.77 +/- 1.67   0.381% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  14.69 +/- 2.02   0.907% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.8:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.078% * 98.2851% (0.67  10.0 10.00   3.98  89.80) =  99.990%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.45 +/- 3.41   0.809% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   LYS+  38 - HB3   GLN   90  30.66 +/- 1.90   0.019% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  27.22 +/- 4.13   0.032% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  28.05 +/- 2.12   0.026% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  26.55 +/- 4.32   0.036% *  0.0744% (0.51   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 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.61, residual support = 89.8:
    * O T QG    GLN   90 - HB3   GLN   90   2.36 +/- 0.15  97.156% * 99.3855% (0.75  10.0 10.00   3.61  89.80) =  99.999%  kept
          HB2   ASP-  44 - HB3   GLN   90  14.67 +/- 1.36   0.474% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB3   GLN   90   9.89 +/- 1.19   1.679% *  0.0171% (0.13   1.0  1.00   0.02   0.11) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.38 +/- 1.67   0.177% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  19.86 +/- 2.70   0.210% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  26.66 +/- 3.99   0.088% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.38 +/- 4.31   0.075% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  33.35 +/- 4.86   0.048% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  26.11 +/- 4.26   0.093% *  0.0247% (0.19   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.8:
    * O T HA    GLN   90 - QG    GLN   90   2.69 +/- 0.55  94.963% * 99.7400% (0.88  10.0 10.00   3.29  89.80) =  99.996%  kept
          HA    ALA  110 - QG    GLN   90  12.31 +/- 3.17   2.412% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - QG    GLN   90  19.60 +/- 3.92   0.492% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   90  15.72 +/- 1.68   0.694% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  13.14 +/- 1.77   1.439% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.8:
    * O T HB2   GLN   90 - QG    GLN   90   2.41 +/- 0.14  97.999% * 97.8434% (0.72  10.0 10.00   3.61  89.80) =  99.980%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.86 +/- 2.87   1.584% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   GLU-  29 - QG    GLN   90  23.69 +/- 4.02   0.131% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  24.24 +/- 3.82   0.118% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  24.91 +/- 2.26   0.095% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  27.26 +/- 2.06   0.073% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.748, support = 3.6, residual support = 89.4:
    * O T HB3   GLN   90 - QG    GLN   90   2.36 +/- 0.15  88.981% * 87.4810% (0.75  10.0 10.00   3.61  89.80) =  99.549%  kept
        T HB2   MET   92 - QG    GLN   90   8.16 +/- 1.36   2.950% * 11.7160% (0.44   1.0 10.00   0.46   0.11) =   0.442%  kept
          QB    LYS+  81 - QG    GLN   90   8.10 +/- 2.33   4.385% *  0.0939% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+ 106 - QG    GLN   90  11.18 +/- 1.96   1.076% *  0.0967% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  17.85 +/- 3.69   0.419% *  0.0991% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG    GLN   90  16.72 +/- 2.99   0.609% *  0.0678% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG    GLN   90  22.59 +/- 4.46   0.423% *  0.0551% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  16.10 +/- 2.77   0.345% *  0.0593% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  19.06 +/- 3.73   0.262% *  0.0635% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  20.44 +/- 3.25   0.185% *  0.0678% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  22.36 +/- 2.58   0.126% *  0.0800% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  26.47 +/- 2.03   0.069% *  0.0875% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.45 +/- 3.14   0.171% *  0.0323% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.8:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  98.029% * 98.3255% (1.00  10.0 10.00   2.26  12.82) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  22.27 +/- 1.47   0.090% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  13.56 +/- 3.63   1.009% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  18.85 +/- 3.45   0.271% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ALA   91  16.43 +/- 2.02   0.250% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.25 +/- 2.80   0.075% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.95 +/- 1.73   0.110% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.48 +/- 2.56   0.073% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.79 +/- 1.53   0.058% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.60 +/- 1.36   0.034% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.8:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  78.419% * 99.0540% (1.00  10.0 10.00   2.26  12.82) =  99.993%  kept
          HA    ALA  110 - QB    ALA   91   8.36 +/- 3.45  13.581% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - QB    ALA   91  10.37 +/- 1.78   0.905% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  22.27 +/- 1.47   0.073% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.51 +/- 0.98   3.477% *  0.0096% (0.10   1.0  1.00   0.02   1.32) =   0.000%
          HA    TRP   27 - QG2   THR   39  10.76 +/- 1.67   0.774% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QB    ALA   91  12.92 +/- 4.41   0.994% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  18.85 +/- 3.45   0.220% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  18.83 +/- 2.61   0.136% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  17.53 +/- 2.47   0.190% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.00 +/- 2.63   0.146% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.91 +/- 3.89   0.686% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  22.81 +/- 2.96   0.087% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  21.26 +/- 2.56   0.098% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.83 +/- 5.05   0.215% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD2   PRO   93   3.92 +/- 0.09 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.29) = 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 = 132.2:
    * O T HB2   PRO   93 - HD2   PRO   93   3.91 +/- 0.19  61.991% * 99.2584% (0.73  10.0 10.00   5.40 132.29) =  99.969%  kept
          HG3   PRO   52 - HD2   PRO   93  10.28 +/- 5.66  19.579% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.010%
          HB    VAL  108 - HD2   PRO   93  10.12 +/- 2.56   5.662% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  119 - HD2   PRO   93  14.68 +/- 3.42   7.597% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HD2   PRO   93  14.54 +/- 4.31   2.364% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLN   30 - HD2   PRO   93  22.79 +/- 2.55   0.399% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - HD2   PRO   93  15.71 +/- 3.41   1.505% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.30 +/- 2.31   0.445% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.71 +/- 0.98   0.202% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  29.24 +/- 3.23   0.164% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  36.15 +/- 4.51   0.091% *  0.0408% (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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 4.0, residual support = 132.2:
    * O T HG2   PRO   93 - HD2   PRO   93   2.51 +/- 0.28  77.176% * 98.8293% (0.73  10.0 10.00   4.00 132.29) =  99.906%  kept
          HB3   PRO   52 - HD2   PRO   93  10.50 +/- 5.35  10.124% *  0.6434% (0.22   1.0  1.00   0.42   0.02) =   0.085%
          QB    LYS+  66 - HD2   PRO   93  15.86 +/- 4.21   2.703% *  0.0886% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HD2   PRO   93  18.67 +/- 4.60   7.758% *  0.0305% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HD2   PRO   93  14.34 +/- 3.86   1.322% *  0.0825% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  19.54 +/- 1.80   0.227% *  0.0718% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.00 +/- 1.21   0.162% *  0.0912% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.99 +/- 1.54   0.261% *  0.0560% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  22.08 +/- 2.34   0.154% *  0.0791% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  23.95 +/- 2.96   0.113% *  0.0275% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  96.107% * 98.6805% (0.65  10.0 10.00   4.00 132.29) =  99.995%  kept
        T HD3   PRO   68 - HD2   PRO   93  19.99 +/- 4.49   0.179% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HD2   PRO   93  10.39 +/- 3.84   1.539% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HD2   PRO   93  11.57 +/- 4.40   1.443% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  13.13 +/- 3.64   0.500% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  16.09 +/- 4.53   0.232% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD3   PRO   93   3.85 +/- 0.09  95.288% * 99.8223% (0.90  10.0 10.00   5.31 132.29) =  99.991%  kept
        T HA    PRO   93 - HD3   PRO   68  17.17 +/- 4.34   4.712% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.009%
    Distance limit 4.15 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 = 0.893, support = 5.37, residual support = 131.5:
    * O T HB2   PRO   93 - HD3   PRO   93   3.86 +/- 0.26  46.424% * 96.1330% (0.90  10.0 10.00   5.40 132.29) =  99.374%  kept
          HG3   PRO   52 - HD3   PRO   93   9.60 +/- 5.85  20.721% *  1.1939% (0.28   1.0  1.00   0.80   0.02) =   0.551%  kept
        T HB2   ARG+  54 - HD3   PRO   93  13.76 +/- 4.62   2.020% *  0.8339% (0.78   1.0 10.00   0.02   0.02) =   0.038%
          HB    ILE  119 - HD3   PRO   93  14.63 +/- 3.64  10.867% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.013%
        T HB2   PRO   93 - HD3   PRO   68  17.36 +/- 4.18   1.800% *  0.1711% (0.16   1.0 10.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HD3   PRO   93  10.73 +/- 1.93   2.591% *  0.0770% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   ARG+  54 - HD3   PRO   68  19.93 +/- 5.16   0.797% *  0.1484% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  14 - HD3   PRO   68  17.57 +/- 3.98   1.210% *  0.0642% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   68  15.56 +/- 2.97   1.604% *  0.0476% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  22.78 +/- 2.36   0.268% *  0.2673% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HD3   PRO   68  19.74 +/- 5.09   3.450% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   93  29.13 +/- 3.38   0.128% *  0.3608% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  15.27 +/- 3.41   1.053% *  0.0297% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  36.09 +/- 4.49   0.076% *  0.3952% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   68  15.55 +/- 3.12   2.534% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   68  23.93 +/- 3.85   0.342% *  0.0703% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   93  22.31 +/- 2.09   0.293% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  17.33 +/- 4.55   1.317% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.09 +/- 1.02   0.141% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  21.61 +/- 6.12   1.183% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  19.79 +/- 3.68   0.491% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.53 +/- 2.51   0.691% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.885, support = 3.94, residual support = 129.9:
    * O T HG2   PRO   93 - HD3   PRO   93   2.69 +/- 0.29  51.270% * 92.6208% (0.90  10.0 10.00   4.00 132.29) =  98.204%  kept
        T HB3   PRO   52 - HD3   PRO   93   9.85 +/- 5.51  12.970% *  5.5236% (0.28   1.0 10.00   0.39   0.02) =   1.482%  kept
          QB    LYS+  66 - HD3   PRO   68   4.96 +/- 0.96  13.182% *  1.0726% (0.14   1.0  1.00   1.45   0.02) =   0.292%  kept
          QB    LYS+  66 - HD3   PRO   93  15.68 +/- 4.22   8.019% *  0.0831% (0.80   1.0  1.00   0.02   0.02) =   0.014%
          HG    LEU  123 - HD3   PRO   93  18.74 +/- 4.55   5.134% *  0.0286% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HD3   PRO   93  14.12 +/- 3.61   1.053% *  0.0774% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   93 - HD3   PRO   68  18.93 +/- 4.22   0.306% *  0.1648% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.98 +/- 0.73   2.428% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  10.01 +/- 1.26   1.306% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  21.34 +/- 5.24   0.251% *  0.0509% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.74 +/- 1.78   0.145% *  0.0673% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.46 +/- 1.42   0.175% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.46 +/- 1.25   0.106% *  0.0855% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  12.02 +/- 3.44   1.769% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  22.09 +/- 2.36   0.107% *  0.0742% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.61 +/- 1.82   0.500% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  18.88 +/- 6.07   0.769% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  19.71 +/- 3.00   0.200% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  23.83 +/- 2.83   0.086% *  0.0258% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.39 +/- 2.81   0.223% *  0.0093% (0.09   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 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  98.249% * 99.5607% (0.65  10.0 10.00   4.00 132.29) =  99.998%  kept
          HA    THR   77 - HD3   PRO   93  10.78 +/- 3.27   1.035% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  19.99 +/- 4.49   0.183% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.80 +/- 2.84   0.099% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  17.41 +/- 3.82   0.245% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  17.41 +/- 3.30   0.188% *  0.0219% (0.14   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 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   2.52 +/- 0.22  90.411% * 99.2584% (1.00  10.0 10.00   5.98 132.29) =  99.994%  kept
          HB    VAL  108 - HA    PRO   93   9.83 +/- 1.83   2.078% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    PRO   93  10.54 +/- 4.41   4.128% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    PRO   93  13.82 +/- 3.19   0.830% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.66 +/- 2.47   0.249% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  13.72 +/- 2.50   1.094% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  14.12 +/- 2.75   0.662% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  19.16 +/- 2.15   0.288% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.08 +/- 0.91   0.111% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.13 +/- 3.48   0.099% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.18 +/- 4.42   0.049% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.3, residual support = 132.0:
    * O T HG2   PRO   93 - HA    PRO   93   3.95 +/- 0.04  59.104% * 98.8294% (1.00  10.0 10.00   5.31 132.29) =  99.812%  kept
          HB3   PRO   52 - HA    PRO   93  10.74 +/- 4.06  13.870% *  0.6433% (0.31   1.0  1.00   0.42   0.02) =   0.152%  kept
          QB    LYS+  66 - HA    PRO   93  13.55 +/- 3.94  11.456% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.017%
          QB    LYS+  65 - HA    PRO   93  11.71 +/- 3.92   9.020% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.013%
          HG    LEU  123 - HA    PRO   93  17.73 +/- 3.39   2.782% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    PRO   93  16.44 +/- 1.78   1.045% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    PRO   93  15.74 +/- 1.47   1.078% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    PRO   93  18.90 +/- 2.21   0.641% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  19.22 +/- 1.09   0.544% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    PRO   93  20.88 +/- 3.02   0.459% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.92 +/- 0.09  84.118% * 99.7770% (0.73  10.0 10.00   5.31 132.29) =  99.977%  kept
          HA    THR   77 - HA    PRO   93   8.98 +/- 2.80  14.228% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.021%
          HB2   TRP   27 - HA    PRO   93  16.94 +/- 2.74   1.654% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.2:
    * O T HD3   PRO   93 - HA    PRO   93   3.85 +/- 0.09  67.953% * 98.6805% (0.90  10.0 10.00   5.31 132.29) =  99.909%  kept
        T HD3   PRO   68 - HA    PRO   93  17.17 +/- 4.34   3.456% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.049%
          HB3   CYS   53 - HA    PRO   93   8.86 +/- 3.41  17.553% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.029%
          QB    PHE   55 - HA    PRO   93  11.41 +/- 3.25   5.521% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HA    PRO   93  11.33 +/- 3.23   4.141% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HA    PRO   93  15.45 +/- 3.44   1.375% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 0.991, support = 5.33, residual support = 130.5:
    * O T HG2   PRO   93 - HB2   PRO   93   2.64 +/- 0.31  67.016% * 93.3083% (1.00  10.0 10.00   5.40 132.29) =  98.675%  kept
        T HB3   PRO   52 - HB2   PRO   93   9.90 +/- 4.39  13.761% *  6.0620% (0.31   1.0 10.00   0.42   0.02) =   1.316%  kept
          QB    LYS+  66 - HB2   PRO   93  13.60 +/- 3.56   2.097% *  0.0837% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   PRO   93  11.91 +/- 3.30   1.695% *  0.0779% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   GLN   17 - HG3   GLN   30  10.31 +/- 2.10   3.571% *  0.0202% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PRO   93  16.58 +/- 3.22   0.832% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.40 +/- 2.01   0.305% *  0.0678% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.45 +/- 3.75   3.826% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  19.55 +/- 2.45   0.254% *  0.0747% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30  10.74 +/- 2.99   2.769% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.70 +/- 1.30   0.295% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.93 +/- 0.89   0.167% *  0.0861% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.49 +/- 2.57   0.141% *  0.0727% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  13.35 +/- 1.90   0.851% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  14.74 +/- 2.52   0.681% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  21.43 +/- 3.12   0.169% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.75 +/- 2.91   0.284% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.41 +/- 3.16   0.445% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.05 +/- 5.18   0.745% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.06 +/- 2.97   0.095% *  0.0022% (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 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.2:
    * O T HD2   PRO   93 - HB2   PRO   93   3.91 +/- 0.19  61.988% * 99.6822% (0.73  10.0 10.00   5.40 132.29) =  99.958%  kept
          HA    THR   77 - HB2   PRO   93  10.33 +/- 3.31  19.044% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.038%
          HB2   TRP   27 - HG3   GLN   30   6.34 +/- 0.70  16.884% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  18.16 +/- 2.64   0.823% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HG3   GLN   30  22.79 +/- 2.55   0.342% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  17.29 +/- 3.29   0.918% *  0.0096% (0.07   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 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.1:
    * O T HD3   PRO   93 - HB2   PRO   93   3.86 +/- 0.26  57.827% * 97.4649% (0.90  10.0 10.00   5.40 132.29) =  99.865%  kept
        T HD3   PRO   68 - HB2   PRO   93  17.36 +/- 4.18   2.970% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.050%
          HB3   CYS   53 - HB2   PRO   93   8.29 +/- 3.44  17.312% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.033%
        T HD2   ARG+  54 - HB2   PRO   93  14.54 +/- 3.51   1.400% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.027%
          QB    PHE   55 - HB2   PRO   93  10.29 +/- 3.67   9.564% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.015%
          HB2   PHE   59 - HB2   PRO   93  10.26 +/- 3.24   6.753% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.007%
        T HD3   PRO   68 - HG3   GLN   30  15.56 +/- 2.97   1.948% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   ARG+  54 - HG3   GLN   30  25.66 +/- 4.18   0.423% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.78 +/- 2.36   0.335% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.15 +/- 2.64   0.516% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.50 +/- 2.68   0.385% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.73 +/- 2.64   0.567% *  0.0045% (0.04   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 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   3.95 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.29) = 100.000%  kept
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.4, residual support = 132.2:
    * O T HB2   PRO   93 - HG2   PRO   93   2.64 +/- 0.31  81.198% * 98.7141% (1.00  10.0 10.00   5.40 132.29) =  99.950%  kept
        T HG3   PRO   52 - HG2   PRO   93   9.89 +/- 5.24  10.253% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.039%
        T HG2   PRO   58 - HG2   PRO   93  14.04 +/- 3.40   1.117% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HG2   PRO   93   9.89 +/- 2.31   2.743% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HG2   PRO   93  13.03 +/- 3.01   2.693% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HG2   PRO   93  13.43 +/- 4.13   1.438% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG2   PRO   93  22.49 +/- 2.57   0.168% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  22.03 +/- 2.12   0.172% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.31 +/- 1.07   0.093% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  28.69 +/- 3.25   0.078% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  35.80 +/- 4.46   0.046% *  0.0406% (0.41   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 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   2.51 +/- 0.28  86.257% * 99.7770% (0.73  10.0 10.00   4.00 132.29) =  99.980%  kept
          HA    THR   77 - HG2   PRO   93  11.44 +/- 3.56  13.415% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.019%
          HB2   TRP   27 - HG2   PRO   93  19.89 +/- 2.63   0.328% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.2:
    * O T HD3   PRO   93 - HG2   PRO   93   2.69 +/- 0.29  79.406% * 98.6805% (0.90  10.0 10.00   4.00 132.29) =  99.970%  kept
          QB    PHE   55 - HG2   PRO   93  10.23 +/- 4.46  10.707% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.012%
          HB3   CYS   53 - HG2   PRO   93   9.39 +/- 3.70   5.654% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.008%
        T HD3   PRO   68 - HG2   PRO   93  18.93 +/- 4.22   0.528% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG2   PRO   93  11.37 +/- 3.67   2.824% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG2   PRO   93  14.94 +/- 4.27   0.880% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 24.8:
    * O T HB    THR   94 - HA    THR   94   3.00 +/- 0.16  89.118% * 99.2375% (0.84  10.0 10.00   2.43  24.83) =  99.991%  kept
          QB    SER   48 - HA    THR   94  12.74 +/- 1.39   1.527% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HA    THR   94  15.03 +/- 3.23   1.689% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  10.88 +/- 2.09   2.628% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    THR   94  13.27 +/- 1.31   1.174% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  16.47 +/- 2.48   0.758% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  16.11 +/- 2.26   0.687% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  17.17 +/- 2.94   0.591% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  13.08 +/- 2.96   1.537% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  23.02 +/- 4.54   0.291% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.91, residual support = 24.8:
    * O T QG2   THR   94 - HA    THR   94   2.45 +/- 0.25  88.079% * 99.7175% (1.00  10.0 10.00   2.91  24.83) =  99.988%  kept
          HB3   LYS+ 112 - HA    THR   94  11.53 +/- 2.40   9.059% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.010%
          HD2   LYS+ 112 - HA    THR   94  12.41 +/- 2.79   1.671% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    THR   94  11.87 +/- 1.08   0.932% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.61 +/- 1.87   0.258% *  0.0724% (0.73   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 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.8:
    * O T HA    THR   94 - HB    THR   94   3.00 +/- 0.16  97.963% * 99.9751% (0.84  10.0 10.00   2.43  24.83) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.18 +/- 0.81   2.037% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.98 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 = 2.42, residual support = 24.8:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  96.894% * 99.7175% (0.84  10.0 10.00   2.42  24.83) =  99.997%  kept
          HB3   LYS+ 112 - HB    THR   94  13.65 +/- 2.57   1.556% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - HB    THR   94  14.35 +/- 3.12   0.681% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.58 +/- 1.06   0.683% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  18.05 +/- 1.75   0.186% *  0.0724% (0.61   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.91, residual support = 24.8:
    * O T HA    THR   94 - QG2   THR   94   2.45 +/- 0.25  98.366% * 99.9751% (1.00  10.0 10.00   2.91  24.83) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.26 +/- 0.75   1.634% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.42, residual support = 24.8:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  93.896% * 99.2375% (0.84  10.0 10.00   2.42  24.83) =  99.995%  kept
          QB    SER   85 - QG2   THR   94   9.67 +/- 1.69   1.309% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  13.09 +/- 3.23   1.173% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QG2   THR   94  11.33 +/- 1.14   0.734% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.46 +/- 1.93   1.108% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QG2   THR   94  15.31 +/- 2.19   0.316% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  15.48 +/- 2.92   0.318% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  19.10 +/- 4.45   0.252% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  15.11 +/- 1.56   0.300% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  12.60 +/- 2.25   0.594% *  0.0235% (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 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 = 73.4:
    * O T HB2   PHE   95 - HA    PHE   95   3.04 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.44) = 100.000%  kept
    Distance limit 3.84 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 = 73.4:
    * O T HB3   PHE   95 - HA    PHE   95   2.56 +/- 0.17  98.781% * 99.8670% (1.00  10.0 10.00   4.00  73.44) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  13.44 +/- 2.29   1.014% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  21.08 +/- 2.40   0.205% *  0.0341% (0.34   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 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.4:
    * O T HA    PHE   95 - HB2   PHE   95   3.04 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.44) = 100.000%  kept
    Distance limit 3.93 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 = 73.4:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.272% * 99.8670% (1.00  10.0 10.00   3.31  73.44) =  99.999%  kept
          HG2   GLN  116 - HB2   PHE   95  11.82 +/- 2.84   0.674% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HB2   PHE   95  23.07 +/- 2.70   0.053% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.4:
    * O T HA    PHE   95 - HB3   PHE   95   2.56 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.44) = 100.000%  kept
    Distance limit 3.57 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 = 73.4:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.44) = 100.000%  kept
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.98, residual support = 114.5:
    * O T HB2   MET   96 - HA    MET   96   2.83 +/- 0.20  80.484% * 95.8655% (0.98  10.0 10.00   5.00 115.39) =  99.232%  kept
          HB2   ASP- 105 - HA    MET   96   5.90 +/- 1.20  15.607% *  3.8095% (0.40   1.0  1.00   1.93   0.02) =   0.765%  kept
          HB    VAL   70 - HA    MET   96  12.79 +/- 2.71   1.385% *  0.0733% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  14.32 +/- 2.31   1.085% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.69 +/- 0.87   0.606% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  17.36 +/- 3.82   0.591% *  0.0659% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    MET   96  21.07 +/- 2.87   0.242% *  0.0543% (0.55   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 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   2.82 +/- 0.27  97.988% * 99.7402% (0.98  10.0 10.00   5.00 115.39) =  99.999%  kept
          HB2   LEU   40 - HA    MET   96  12.72 +/- 1.82   1.335% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  23.63 +/- 3.82   0.252% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  20.58 +/- 1.99   0.314% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.29 +/- 4.52   0.111% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   2.63 +/- 0.43  99.620% * 99.6261% (0.98  10.0 10.00   4.44 115.39) =  99.999%  kept
        T HB2   PRO   52 - HA    MET   96  18.00 +/- 3.50   0.380% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.594, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   3.09 +/- 0.45  89.338% * 99.7437% (0.59  10.0 10.00   4.44 115.39) =  99.995%  kept
          HB3   TRP   87 - HA    MET   96   9.20 +/- 3.53   7.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HA    MET   96  13.98 +/- 3.93   2.068% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - HA    MET   96  15.83 +/- 3.05   1.293% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    MET   96  22.67 +/- 2.61   0.298% *  0.1374% (0.82   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 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   2.83 +/- 0.20  97.034% * 99.9773% (0.98  10.0 10.00   5.00 115.39) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  10.66 +/- 1.80   2.966% *  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 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  99.554% * 99.7402% (1.00  10.0 10.00   5.00 115.39) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  12.78 +/- 1.58   0.290% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  22.46 +/- 3.85   0.064% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.97 +/- 4.45   0.027% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.66 +/- 1.72   0.065% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 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   2.86 +/- 0.26  99.488% * 99.6261% (1.00  10.0 10.00   4.44 115.39) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  18.15 +/- 3.06   0.512% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.09 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   2.65 +/- 0.24  89.717% * 99.7437% (0.61  10.0 10.00   4.44 115.39) =  99.996%  kept
          HB3   TRP   87 - HB2   MET   96   8.09 +/- 3.84   7.373% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HB2   MET   96  13.88 +/- 3.95   2.038% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - HB2   MET   96  17.17 +/- 2.84   0.678% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  21.74 +/- 2.51   0.195% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.82 +/- 0.27  97.240% * 99.9773% (0.98  10.0 10.00   5.00 115.39) =  99.999%  kept
          HA    PHE   72 - HB3   MET   96  10.54 +/- 1.88   2.760% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  97.227% * 99.6213% (1.00  10.0 10.00   5.00 115.39) =  99.998%  kept
          HB2   ASP- 105 - HB3   MET   96   8.39 +/- 1.25   1.318% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HB3   MET   96  12.31 +/- 2.65   0.539% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  12.71 +/- 1.97   0.358% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.44 +/- 4.22   0.278% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  14.51 +/- 1.17   0.183% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  19.23 +/- 3.45   0.097% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB3   MET   96   2.73 +/- 0.20  99.556% * 99.6261% (1.00  10.0 10.00   4.44 115.39) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  18.20 +/- 3.07   0.444% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.93 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 = 4.43, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.75 +/- 0.32  88.876% * 99.7437% (0.61  10.0 10.00   4.44 115.39) =  99.995%  kept
          HB3   TRP   87 - HB3   MET   96   8.41 +/- 3.57   8.511% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HB3   MET   96  14.06 +/- 4.03   1.888% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  21.50 +/- 2.56   0.242% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.30 +/- 2.88   0.483% *  0.0457% (0.28   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 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   2.63 +/- 0.43  94.765% * 99.6779% (0.98  10.0 10.00   4.44 115.39) =  99.998%  kept
        T HA    MET   96 - HB2   PRO   52  18.00 +/- 3.50   0.361% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HG2   MET   96  11.82 +/- 2.09   4.601% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  21.38 +/- 3.11   0.272% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.44, residual support = 115.2:
    * O T HB2   MET   96 - HG2   MET   96   2.86 +/- 0.26  87.181% * 96.9300% (1.00  10.0 10.00   4.44 115.39) =  99.836%  kept
          HB2   ASP- 105 - HG2   MET   96   7.53 +/- 0.87   5.720% *  2.3484% (0.41   1.0  1.00   1.18   0.02) =   0.159%  kept
        T HB2   MET   96 - HB2   PRO   52  18.15 +/- 3.06   0.449% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG2   MET   96  13.50 +/- 2.68   1.234% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  14.49 +/- 2.51   1.375% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.83 +/- 0.86   0.847% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  17.47 +/- 4.22   0.831% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HG2   MET   96  20.29 +/- 3.79   0.335% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  17.68 +/- 3.49   0.652% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  20.25 +/- 3.95   0.392% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  21.88 +/- 3.56   0.342% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.42 +/- 3.54   0.377% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.55 +/- 4.87   0.151% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  29.81 +/- 4.96   0.114% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG2   MET   96   2.73 +/- 0.20  91.502% * 99.3732% (1.00  10.0 10.00   4.44 115.39) =  99.997%  kept
        T HB3   MET   96 - HB2   PRO   52  18.20 +/- 3.07   0.408% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - HG2   MET   96  12.83 +/- 2.27   1.209% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.55 +/- 0.85   5.499% *  0.0073% (0.07   1.0  1.00   0.02   1.85) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.31 +/- 4.46   0.245% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  23.64 +/- 4.73   0.552% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  30.82 +/- 5.23   0.112% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  22.32 +/- 2.00   0.195% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.76 +/- 5.77   0.134% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  36.74 +/- 7.71   0.144% *  0.0201% (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 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  96.702% * 99.2819% (0.61  10.0 10.00   4.00 115.39) =  99.998%  kept
        T HB3   ASP-  62 - HB2   PRO   52  14.07 +/- 3.78   0.748% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   87 - HG2   MET   96   8.85 +/- 3.87   1.438% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   96 - HB2   PRO   52  19.99 +/- 3.45   0.082% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  15.64 +/- 4.02   0.292% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  21.74 +/- 3.29   0.065% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  13.02 +/- 2.55   0.421% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.03 +/- 3.11   0.122% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  19.12 +/- 4.05   0.110% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.44 +/- 4.62   0.022% *  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   3.09 +/- 0.45  96.860% * 99.9773% (0.59  10.0 10.00   4.44 115.39) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  11.47 +/- 2.34   3.140% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 4.44, residual support = 115.3:
    * O T HB2   MET   96 - HG3   MET   96   2.65 +/- 0.24  90.393% * 97.6960% (0.61  10.0 10.00   4.44 115.39) =  99.879%  kept
          HB2   ASP- 105 - HG3   MET   96   8.09 +/- 1.29   5.276% *  1.9728% (0.25   1.0  1.00   0.98   0.02) =   0.118%  kept
          HB    VAL   70 - HG3   MET   96  13.39 +/- 2.75   1.211% *  0.0747% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  17.26 +/- 4.43   1.109% *  0.0671% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.51 +/- 1.08   0.811% *  0.0709% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  14.04 +/- 2.30   0.893% *  0.0632% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HG3   MET   96  19.76 +/- 3.67   0.307% *  0.0553% (0.34   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 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG3   MET   96   2.75 +/- 0.32  97.908% * 99.7402% (0.61  10.0 10.00   4.44 115.39) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  12.68 +/- 2.50   1.497% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  22.93 +/- 4.51   0.279% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.42 +/- 5.18   0.101% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  22.56 +/- 2.17   0.216% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.915% * 99.6261% (0.61  10.0 10.00   4.00 115.39) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.99 +/- 3.45   0.085% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HB2   PHE   97 - HA    PHE   97   2.88 +/- 0.20  85.010% * 99.7149% (1.00  10.0 10.00   2.89  62.23) =  99.990%  kept
          QE    LYS+ 106 - HA    PHE   97   7.61 +/- 1.33   6.686% *  0.0724% (0.73   1.0  1.00   0.02  11.78) =   0.006%
          QE    LYS+  99 - HA    PHE   97   7.72 +/- 0.83   5.185% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   TRP   27 - HA    PHE   97  13.82 +/- 2.32   1.086% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    PHE   97  13.73 +/- 2.81   1.232% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  14.42 +/- 2.08   0.802% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.75 +/- 0.24  88.462% * 99.7224% (0.95  10.0 10.00   3.44  62.23) =  99.989%  kept
          HB2   PRO   58 - HA    PHE   97  15.64 +/- 4.76   8.834% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          HB2   GLU- 100 - HA    PHE   97  11.42 +/- 0.72   1.340% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  16.33 +/- 2.60   0.540% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  15.92 +/- 2.79   0.823% *  0.0185% (0.18   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 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   2.88 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.23) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.2:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  97.772% * 99.7224% (0.95  10.0 10.00   3.31  62.23) =  99.998%  kept
          HB2   PRO   58 - HB2   PHE   97  16.34 +/- 5.30   1.296% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HB2   PHE   97  11.70 +/- 0.95   0.350% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  15.81 +/- 3.25   0.173% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  17.49 +/- 3.57   0.409% *  0.0185% (0.18   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 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   2.75 +/- 0.24 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.23) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 3.31, residual support = 62.1:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  91.150% * 95.3859% (0.95  10.0 10.00   3.31  62.23) =  99.651%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.56 +/- 1.72   6.876% *  4.4107% (0.69   1.0  1.00   1.27  11.78) =   0.348%  kept
          QE    LYS+  99 - HB3   PHE   97   7.70 +/- 1.20   1.391% *  0.0392% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   PHE   97  16.07 +/- 2.33   0.175% *  0.0952% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  14.72 +/- 3.35   0.233% *  0.0502% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  15.20 +/- 2.46   0.176% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 75.5:
    * O T QB    LEU   98 - HA    LEU   98   2.21 +/- 0.10  91.671% * 99.2568% (0.87  10.0 10.00   4.97  75.52) =  99.995%  kept
          HD3   LYS+ 121 - HA    LEU   98  15.36 +/- 9.64   1.805% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LEU   98   8.63 +/- 2.28   2.369% *  0.0226% (0.20   1.0  1.00   0.02   0.43) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  16.15 +/- 2.00   0.296% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  14.03 +/- 3.36   0.956% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  18.12 +/- 3.50   0.244% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  17.11 +/- 3.06   0.278% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.15 +/- 1.59   0.271% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.25 +/- 4.84   0.219% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  18.72 +/- 3.89   0.261% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  12.88 +/- 2.64   0.753% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  15.51 +/- 2.96   0.353% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  15.58 +/- 3.07   0.355% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.25 +/- 2.20   0.169% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 4.78, residual support = 70.2:
    *   T QD1   LEU   98 - HA    LEU   98   2.99 +/- 0.44  43.993% * 93.2923% (1.00 10.00   4.79  75.52) =  91.863%  kept
          QD2   LEU  104 - HA    LEU   98   2.75 +/- 1.07  54.631% *  6.6543% (0.31  1.00   4.62   9.79) =   8.137%  kept
          QG2   ILE   19 - HA    LEU   98  13.97 +/- 2.21   0.540% *  0.0350% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.41 +/- 2.29   0.836% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.17, residual support = 74.4:
    *   T QD2   LEU   98 - HA    LEU   98   3.74 +/- 0.50  71.823% * 92.9698% (1.00 10.00   4.23  75.52) =  97.939%  kept
          QG2   VAL   41 - HA    LEU   98   6.63 +/- 2.42  22.921% *  6.0622% (0.95  1.00   1.38  22.23) =   2.038%  kept
        T QD1   LEU   80 - HA    LEU   98  15.94 +/- 3.69   1.525% *  0.9297% (1.00 10.00   0.02   0.02) =   0.021%
          QD2   LEU   63 - HA    LEU   98  12.80 +/- 3.03   3.730% *  0.0382% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 75.5:
    * O T HA    LEU   98 - QB    LEU   98   2.21 +/- 0.10 100.000% *100.0000% (0.87  10.0 10.00   4.97  75.52) = 100.000%  kept
    Distance limit 3.26 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 = 3.81, residual support = 74.8:
    * O T QD1   LEU   98 - QB    LEU   98   2.13 +/- 0.13  81.982% * 94.5062% (0.87  10.0 10.00   3.82  75.52) =  98.954%  kept
          QD2   LEU  104 - QB    LEU   98   4.11 +/- 0.89  16.449% *  4.9520% (0.27   1.0  1.00   3.40   9.79) =   1.040%  kept
        T QG2   ILE   19 - QB    LEU   98  11.35 +/- 2.33   0.779% *  0.3547% (0.33   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   ILE   19 - QB    LEU   98  11.85 +/- 2.43   0.790% *  0.1870% (0.17   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.17 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 = 3.03, residual support = 60.9:
    * O T QD2   LEU   98 - QB    LEU   98   2.09 +/- 0.15  70.472% * 51.1151% (0.87  10.0 10.00   3.28  75.52) =  72.550%  kept
        T QG2   VAL   41 - QB    LEU   98   4.52 +/- 2.33  28.180% * 48.3528% (0.82   1.0 10.00   2.37  22.23) =  27.443%  kept
        T QD1   LEU   80 - QB    LEU   98  12.99 +/- 3.55   0.688% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - QB    LEU   98  11.22 +/- 2.33   0.660% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.79, residual support = 75.5:
    *   T HA    LEU   98 - QD1   LEU   98   2.99 +/- 0.44 100.000% *100.0000% (1.00 10.00   4.79  75.52) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.82, residual support = 75.5:
    * O T QB    LEU   98 - QD1   LEU   98   2.13 +/- 0.13  77.304% * 98.1517% (0.87  10.0 10.00   3.82  75.52) =  99.968%  kept
          HD3   LYS+ 121 - QD1   LEU   98  14.46 +/- 7.87  13.321% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.020%
        T HG    LEU   80 - QD1   LEU   98  14.15 +/- 3.30   0.592% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HG12  ILE   19 - QD1   LEU   98  14.02 +/- 3.07   0.419% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QD1   LEU   98   7.84 +/- 2.35   3.253% *  0.0224% (0.20   1.0  1.00   0.02   0.43) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  13.61 +/- 2.98   0.489% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  12.75 +/- 1.80   0.428% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QD1   LEU   98  10.22 +/- 1.97   1.374% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  12.00 +/- 2.36   0.626% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.45 +/- 1.44   0.362% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.43 +/- 4.33   0.312% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.69 +/- 3.36   0.757% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.40 +/- 2.87   0.549% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.12 +/- 2.17   0.215% *  0.0224% (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 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 75.2:
    * O T QD2   LEU   98 - QD1   LEU   98   2.03 +/- 0.06  88.951% * 94.3370% (1.00  10.0 10.00   2.59  75.52) =  99.489%  kept
          QG2   VAL   41 - QD1   LEU   98   5.36 +/- 2.11   9.030% *  4.6808% (0.95   1.0  1.00   1.05  22.23) =   0.501%  kept
        T QD1   LEU   80 - QD1   LEU   98  12.04 +/- 3.09   0.842% *  0.9434% (1.00   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - QD1   LEU   98  11.25 +/- 2.92   1.176% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 75.5:
    *   T HA    LEU   98 - QD2   LEU   98   3.74 +/- 0.50  97.960% * 99.4301% (1.00 10.00   4.23  75.52) =  99.988%  kept
        T HA    LEU   98 - QD1   LEU   80  15.94 +/- 3.69   2.040% *  0.5699% (0.57 10.00   0.02   0.02) =   0.012%
    Distance limit 4.56 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 = 0.687, support = 3.92, residual support = 79.9:
    * O T QB    LEU   98 - QD2   LEU   98   2.09 +/- 0.15  31.881% * 50.3539% (0.87  10.0 10.00   3.28  75.52) =  58.036%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.57 +/- 0.46  20.860% * 32.1120% (0.55  10.0 10.00   4.96  86.10) =  24.216%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  30.262% * 16.1964% (0.28  10.0  1.00   4.61  86.10) =  17.719%  kept
          HD3   LYS+ 121 - QD2   LEU   98  14.73 +/- 7.40   7.897% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.017%
        T HB2   LEU   80 - QD2   LEU   98  13.45 +/- 3.12   0.203% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LEU   98 - QD1   LEU   80  12.99 +/- 3.55   0.273% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD1   LEU   80   9.78 +/- 3.63   1.210% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD2   LEU   98   6.95 +/- 1.95   1.566% *  0.0115% (0.20   1.0  1.00   0.02   0.43) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  11.71 +/- 1.95   0.270% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   98  12.57 +/- 3.14   0.260% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  10.72 +/- 4.79   1.582% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  13.84 +/- 3.52   0.265% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  11.03 +/- 3.25   0.453% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   9.00 +/- 1.72   0.648% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  11.38 +/- 2.24   0.316% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.22 +/- 4.18   0.158% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  15.44 +/- 6.28   0.200% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.97 +/- 1.24   0.113% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  13.70 +/- 2.57   0.190% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.40 +/- 2.93   0.259% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  20.10 +/- 5.94   0.124% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.40 +/- 2.45   0.212% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.34 +/- 3.63   0.052% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  17.72 +/- 6.72   0.157% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  14.36 +/- 3.75   0.194% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  14.49 +/- 3.63   0.174% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.31 +/- 1.85   0.091% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  15.96 +/- 3.60   0.130% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 2.57, residual support = 74.7:
    * O T QD1   LEU   98 - QD2   LEU   98   2.03 +/- 0.06  84.492% * 89.1141% (1.00  10.0 10.00   2.59  75.52) =  98.683%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.10 +/- 1.05   9.856% * 10.1371% (0.31   1.0 10.00   0.74   9.79) =   1.309%  kept
        T QD1   LEU   98 - QD1   LEU   80  12.04 +/- 3.09   0.790% *  0.5108% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU  104 - QD1   LEU   80  15.10 +/- 3.21   0.305% *  0.1577% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD2   LEU   98  10.07 +/- 2.19   1.020% *  0.0334% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  11.94 +/- 5.45   1.486% *  0.0192% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.51 +/- 2.49   1.334% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  13.25 +/- 5.11   0.717% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.43, residual support = 173.5:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.33 +/- 0.44  72.999% * 98.3802% (1.00  10.0 10.00   6.44 173.76) =  99.871%  kept
          QG2   THR   39 - HA    LYS+  99   8.68 +/- 3.84  16.128% *  0.4382% (0.65   1.0  1.00   0.14   0.02) =   0.098%
        T HG3   LYS+  38 - HA    LYS+  99  11.26 +/- 5.14   3.910% *  0.3692% (0.38   1.0 10.00   0.02   0.02) =   0.020%
          HG    LEU   71 - HA    LYS+  99  11.89 +/- 4.03   3.197% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HG12  ILE   89 - HA    LYS+  99  18.06 +/- 3.44   0.638% *  0.4045% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - HA    LYS+  99  15.78 +/- 3.18   1.116% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    LYS+  99  16.94 +/- 1.91   0.728% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  19.29 +/- 1.22   0.437% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  19.04 +/- 3.26   0.569% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  24.10 +/- 3.11   0.277% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.746, support = 5.88, residual support = 173.7:
    *   T QD    LYS+  99 - HA    LYS+  99   3.69 +/- 0.44  33.330% * 69.7607% (1.00   1.0 10.00   5.82 173.76) =  56.862%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.82 +/- 0.30  61.469% * 28.6795% (0.41  10.0 10.00   5.96 173.76) =  43.112%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.24 +/- 1.24   1.089% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.019%
        T QG1   ILE   56 - HA    LYS+  99  19.10 +/- 3.43   0.260% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  123 - HA    LYS+  99  21.37 +/- 7.06   0.274% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+  99  13.28 +/- 2.09   0.829% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+  99   8.79 +/- 0.67   2.346% *  0.0155% (0.22   1.0  1.00   0.02   1.40) =   0.001%
          HB3   MET   92 - HA    LYS+  99  22.34 +/- 1.02   0.131% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.65 +/- 3.28   0.132% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.00 +/- 1.15   0.140% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 171.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.68 +/- 0.41  71.349% * 92.6194% (1.00  10.0 10.00   7.05 173.76) =  98.752%  kept
          HG    LEU   98 - HA    LYS+  99   4.99 +/- 1.08  21.083% *  3.5133% (0.22   1.0  1.00   3.41  17.74) =   1.107%  kept
        T HG2   LYS+  38 - HA    LYS+  99  11.21 +/- 4.65   2.694% *  3.4075% (0.98   1.0 10.00   0.08   0.02) =   0.137%  kept
          HB2   LEU   31 - HA    LYS+  99  12.02 +/- 3.76   2.189% *  0.0774% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - HA    LYS+  99  17.55 +/- 3.36   0.304% *  0.0673% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.58 +/- 1.15   0.483% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  16.90 +/- 2.33   0.372% *  0.0524% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  19.81 +/- 7.21   0.537% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.76 +/- 3.47   0.182% *  0.0831% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  20.30 +/- 3.58   0.218% *  0.0636% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.04 +/- 1.50   0.319% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.96 +/- 2.11   0.270% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.31, residual support = 172.2:
    *   T QE    LYS+  99 - HA    LYS+  99   3.58 +/- 0.83  68.768% * 91.7228% (1.00 10.00   5.35 173.76) =  99.102%  kept
        T QE    LYS+ 102 - HA    LYS+  99   9.04 +/- 0.75   6.550% *  7.3758% (0.69 10.00   0.23   1.40) =   0.759%  kept
        T QE    LYS+  38 - HA    LYS+  99  10.34 +/- 3.98  10.098% *  0.8226% (0.90 10.00   0.02   0.02) =   0.131%  kept
          HB2   PHE   97 - HA    LYS+  99   7.46 +/- 0.66  10.895% *  0.0377% (0.41  1.00   0.02   0.02) =   0.006%
          HB3   TRP   27 - HA    LYS+  99  15.11 +/- 3.19   3.689% *  0.0411% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.98, residual support = 173.3:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.62 +/- 0.27  81.412% * 98.0388% (1.00  10.0 10.00   7.00 173.76) =  99.711%  kept
          HA    LEU   40 - HB2   LYS+  99   7.01 +/- 4.75  14.898% *  1.5408% (0.25   1.0  1.00   1.26   9.48) =   0.287%  kept
          HA    ASN   35 - HB2   LYS+  99  12.68 +/- 4.16   1.184% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   LYS+  99  20.33 +/- 8.09   0.483% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB2   LYS+  99  22.89 +/- 3.92   0.219% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.44 +/- 2.60   0.158% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.13 +/- 4.22   0.388% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  19.74 +/- 4.05   0.447% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.27 +/- 4.18   0.468% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.19 +/- 5.80   0.343% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.42, residual support = 173.6:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.79 +/- 0.25  87.362% * 97.9313% (1.00  10.0 10.00   6.42 173.76) =  99.917%  kept
          QG2   THR   39 - HB2   LYS+  99   9.94 +/- 4.14   6.536% *  0.8926% (0.65   1.0  1.00   0.28   0.02) =   0.068%
        T HG3   LYS+  38 - HB2   LYS+  99  12.58 +/- 5.55   2.305% *  0.3675% (0.38   1.0 10.00   0.02   0.02) =   0.010%
        T HG12  ILE   89 - HB2   LYS+  99  18.16 +/- 3.65   0.396% *  0.4026% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB2   LYS+  99  13.17 +/- 4.40   1.555% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HB2   LYS+  99  17.10 +/- 3.14   0.539% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  17.90 +/- 2.22   0.404% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.14 +/- 1.44   0.285% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  18.70 +/- 3.37   0.418% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.25 +/- 3.08   0.201% *  0.0334% (0.34   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 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.719, support = 5.19, residual support = 173.8:
    * O   QD    LYS+  99 - HB2   LYS+  99   2.40 +/- 0.37  30.647% * 70.6187% (1.00  10.0   4.75 173.76) =  52.367%  kept
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  67.806% * 29.0322% (0.41  10.0   5.68 173.76) =  47.632%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.46 +/- 1.40   0.441% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB2   LYS+  99  14.52 +/- 2.58   0.167% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HB2   LYS+  99   8.44 +/- 0.77   0.662% *  0.0157% (0.22   1.0   0.02   1.40) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  18.73 +/- 3.73   0.076% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  20.14 +/- 7.38   0.094% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.21 +/- 1.24   0.034% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.78 +/- 3.21   0.035% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.68 +/- 1.19   0.037% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 7.01, residual support = 173.0:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.84 +/- 0.14  82.177% * 96.1374% (1.00  10.0   7.03 173.76) =  99.536%  kept
          HG    LEU   98 - HB2   LYS+  99   6.12 +/- 0.87  11.062% *  3.2912% (0.22   1.0   3.08  17.74) =   0.459%  kept
          HG2   LYS+  38 - HB2   LYS+  99  12.67 +/- 4.99   1.721% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  99  13.79 +/- 3.50   1.461% *  0.0803% (0.84   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+  99  17.66 +/- 3.48   0.447% *  0.0698% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  14.80 +/- 1.37   0.660% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  16.89 +/- 2.83   0.506% *  0.0544% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  18.79 +/- 7.40   0.657% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.88 +/- 3.46   0.216% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.18 +/- 3.66   0.265% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.35 +/- 1.84   0.470% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.39 +/- 2.33   0.358% *  0.0148% (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 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.14, residual support = 173.5:
    *     QE    LYS+  99 - HB2   LYS+  99   3.03 +/- 0.67  76.782% * 97.8599% (1.00   5.15 173.76) =  99.858%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.81 +/- 0.91   4.846% *  1.4725% (0.69   0.11   1.40) =   0.095%
          HB2   PHE   97 - HB2   LYS+  99   6.38 +/- 0.72  13.666% *  0.1563% (0.41   0.02   0.02) =   0.028%
          QE    LYS+  38 - HB2   LYS+  99  11.40 +/- 4.47   3.782% *  0.3409% (0.90   0.02   0.02) =   0.017%
          HB3   TRP   27 - HB2   LYS+  99  16.54 +/- 3.08   0.924% *  0.1704% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 173.5:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.33 +/- 0.44  48.318% * 97.6340% (1.00  10.0 10.00   6.44 173.76) =  99.876%  kept
          HA    LEU   40 - HG3   LYS+  99   7.34 +/- 4.39  15.156% *  0.3057% (0.25   1.0  1.00   0.25   9.48) =   0.098%
          HA    ASN   35 - HG3   LYS+  99  11.64 +/- 4.28   2.876% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  99 - HG3   LYS+  38  11.26 +/- 5.14   2.593% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.006%
        T HA    ILE   56 - HG3   LYS+  99  24.61 +/- 3.80   0.200% *  0.9236% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - HG12  ILE   89  18.06 +/- 3.44   0.417% *  0.3960% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HG3   LYS+  38   5.41 +/- 1.28  16.120% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   LYS+  99  21.27 +/- 8.46   0.523% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG12  ILE   89  18.07 +/- 3.41   1.133% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG12  ILE   89  18.80 +/- 3.46   0.387% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  24.26 +/- 2.73   0.156% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.76 +/- 3.96   0.116% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.06 +/- 0.85   4.365% *  0.0025% (0.03   1.0  1.00   0.02   0.76) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.85 +/- 6.25   0.693% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  18.18 +/- 4.48   0.666% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.81 +/- 3.69   0.361% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  24.37 +/- 3.59   0.174% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.41 +/- 3.28   0.193% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  17.53 +/- 3.69   0.628% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  21.24 +/- 3.87   0.354% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  19.29 +/- 3.10   0.347% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  25.48 +/- 8.24   0.308% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.01 +/- 3.10   0.393% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  18.05 +/- 3.91   1.394% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  14.76 +/- 3.07   1.257% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  25.35 +/- 4.18   0.198% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.86 +/- 2.96   0.079% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  30.41 +/- 4.42   0.111% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  23.03 +/- 3.76   0.221% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  23.54 +/- 4.51   0.266% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.918, support = 4.68, residual support = 177.7:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.86 +/- 0.44  42.121% * 89.0505% (1.00  10.0 10.00   4.71 173.76) =  90.981%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.81 +/- 0.44  44.134% *  8.3338% (0.09  10.0 10.00   4.40 220.08) =   8.921%  kept
        T QE    LYS+  38 - HG3   LYS+  99   9.96 +/- 4.89   2.976% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.058%
        T QE    LYS+ 102 - HG3   LYS+  99   9.41 +/- 1.34   1.501% *  0.6117% (0.69   1.0 10.00   0.02   1.40) =   0.022%
        T QE    LYS+  99 - HG3   LYS+  38  10.01 +/- 6.05   3.301% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HG12  ILE   89  16.16 +/- 4.10   0.519% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PHE   97 - HG3   LYS+  99   8.64 +/- 1.00   2.540% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG12  ILE   89  18.27 +/- 3.07   0.232% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  38  15.88 +/- 6.06   0.522% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  23.35 +/- 3.10   0.102% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG3   LYS+  99  17.62 +/- 3.41   0.551% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG12  ILE   89  13.41 +/- 3.22   0.642% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  16.61 +/- 3.47   0.371% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.72 +/- 1.64   0.258% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  17.02 +/- 3.31   0.231% *  0.0038% (0.04   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 173.3:
    *   T HA    LYS+  99 - QD    LYS+  99   3.69 +/- 0.44  51.289% * 95.3667% (1.00 10.00   5.82 173.76) =  99.740%  kept
          HA    LEU   40 - QD    LYS+  99   6.62 +/- 4.65  25.843% *  0.2986% (0.25  1.00   0.25   9.48) =   0.157%  kept
        T HA    LYS+  99 - QD    LYS+ 106  11.24 +/- 1.24   2.158% *  0.7678% (0.81 10.00   0.02   0.02) =   0.034%
        T HA    LEU  123 - QD    LYS+  99  18.24 +/- 7.75   1.475% *  0.8272% (0.87 10.00   0.02   0.02) =   0.025%
        T HA    ILE   56 - QD    LYS+ 106  17.58 +/- 4.09   0.715% *  0.7263% (0.76 10.00   0.02   0.02) =   0.011%
          HA    ASN   35 - QD    LYS+  99  11.00 +/- 4.18   4.942% *  0.0920% (0.97  1.00   0.02   0.02) =   0.009%
        T HA    LEU  123 - QD    LYS+ 106  19.25 +/- 5.18   0.659% *  0.6660% (0.70 10.00   0.02   0.02) =   0.009%
        T HA    ILE   56 - QD    LYS+  99  21.41 +/- 3.53   0.472% *  0.9021% (0.95 10.00   0.02   0.02) =   0.009%
          HA    ASP- 113 - QD    LYS+ 106  14.93 +/- 3.02   1.289% *  0.0641% (0.67  1.00   0.02   0.02) =   0.002%
          HA    PHE   59 - QD    LYS+ 106  15.14 +/- 4.52   2.126% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+ 106  18.90 +/- 3.61   0.473% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD    LYS+ 106  17.18 +/- 4.16   2.390% *  0.0118% (0.12  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  21.20 +/- 2.44   0.339% *  0.0797% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.75 +/- 2.88   1.213% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  16.15 +/- 4.28   1.790% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  17.02 +/- 3.68   0.825% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  18.34 +/- 3.56   0.824% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  20.36 +/- 5.87   0.695% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.57 +/- 4.05   0.320% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.38 +/- 4.72   0.162% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.83, residual support = 173.7:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.37 +/- 0.15  79.368% * 97.4178% (1.00  10.0  1.00   5.83 173.76) =  99.981%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  13.17 +/- 2.59   0.657% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - QD    LYS+  99  10.59 +/- 5.27   2.260% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QD    LYS+ 106   9.25 +/- 3.26   2.758% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  99  21.94 +/- 3.31   0.131% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+  99  13.02 +/- 3.09   0.980% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+  99   7.52 +/- 0.84   2.995% *  0.0217% (0.22   1.0  1.00   0.02  17.74) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.59 +/- 1.39   0.667% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.85 +/- 1.99   2.426% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+ 106  11.08 +/- 1.72   1.202% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    LYS+ 106  15.07 +/- 3.77   0.646% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.69 +/- 4.34   0.363% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  12.01 +/- 2.25   0.879% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  16.48 +/- 7.25   0.750% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  15.28 +/- 3.03   0.480% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  15.82 +/- 2.95   0.349% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  17.58 +/- 3.11   0.251% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.32 +/- 2.46   1.440% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  14.68 +/- 1.35   0.372% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.64 +/- 3.08   0.170% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.66 +/- 3.30   0.153% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.86 +/- 1.58   0.250% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  18.46 +/- 4.31   0.247% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  18.05 +/- 2.12   0.207% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.26, residual support = 173.6:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.32 +/- 0.14  75.432% * 94.6730% (1.00  10.0 10.00   5.27 173.76) =  99.911%  kept
        T HG12  ILE   89 - QD    LYS+ 106   8.98 +/- 3.75   9.328% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.041%
        T HG3   LYS+  38 - QD    LYS+  99  10.42 +/- 5.75   4.013% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   LYS+  99 - QD    LYS+ 106  12.45 +/- 1.44   0.639% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  74 - QD    LYS+ 106  15.79 +/- 2.31   0.363% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - QD    LYS+  99   8.74 +/- 4.16   4.219% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+  99  17.20 +/- 2.06   0.220% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - QD    LYS+ 106  13.36 +/- 2.24   0.604% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  99  11.98 +/- 4.58   1.384% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE   56 - QD    LYS+ 106  13.84 +/- 3.88   0.709% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QD    LYS+  99  18.29 +/- 3.25   0.186% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106  10.25 +/- 1.43   1.074% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.70 +/- 3.42   0.164% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  17.59 +/- 2.97   0.222% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  22.28 +/- 3.02   0.119% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  15.59 +/- 3.04   0.375% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.92 +/- 2.42   0.376% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  17.52 +/- 2.61   0.231% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.08 +/- 2.75   0.187% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.75 +/- 1.28   0.153% *  0.0612% (0.65   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 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.38, residual support = 173.3:
    * O T QE    LYS+  99 - QD    LYS+  99   2.08 +/- 0.03  80.107% * 93.7739% (1.00  10.0 10.00   4.39 173.76) =  99.721%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.42 +/- 1.04   3.890% *  2.6758% (0.33   1.0  1.00   1.72  11.78) =   0.138%  kept
        T QE    LYS+  38 - QD    LYS+  99   9.37 +/- 4.90   9.858% *  0.8410% (0.90   1.0 10.00   0.02   0.02) =   0.110%  kept
        T QE    LYS+ 102 - QD    LYS+ 106   9.23 +/- 2.28   1.670% *  0.5186% (0.55   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+ 102 - QD    LYS+  99   9.15 +/- 1.37   1.271% *  0.6441% (0.69   1.0 10.00   0.02   1.40) =   0.011%
        T QE    LYS+  99 - QD    LYS+ 106  11.47 +/- 1.40   0.597% *  0.7550% (0.81   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  38 - QD    LYS+ 106  17.66 +/- 2.68   0.160% *  0.6771% (0.72   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    LYS+  99   7.44 +/- 0.69   1.956% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.86 +/- 2.60   0.279% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.47 +/- 2.80   0.213% *  0.0338% (0.36   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 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.986, support = 5.26, residual support = 170.2:
    *   T HA    LYS+  99 - QE    LYS+  99   3.58 +/- 0.83  34.507% * 89.6646% (1.00 10.00   5.35 173.76) =  97.853%  kept
          HA    LEU   40 - QE    LYS+  99   5.94 +/- 5.03  24.198% *  1.9090% (0.25  1.00   1.71   9.48) =   1.461%  kept
        T HA    LYS+  99 - QE    LYS+ 102   9.04 +/- 0.75   2.506% *  7.1585% (0.68 10.00   0.23   1.40) =   0.567%  kept
          HA    LEU   40 - QE    LYS+  38   7.46 +/- 1.50   8.345% *  0.2603% (0.07  1.00   0.86   0.76) =   0.069%
        T HA    LYS+  99 - QE    LYS+  38  10.34 +/- 3.98   3.304% *  0.2419% (0.27 10.00   0.02   0.02) =   0.025%
          HA    ASN   35 - QE    LYS+  38   5.88 +/- 1.35  12.200% *  0.0233% (0.26  1.00   0.02   0.02) =   0.009%
          HA    ASN   35 - QE    LYS+  99  10.67 +/- 4.15   2.131% *  0.0865% (0.97  1.00   0.02   0.02) =   0.006%
          HA    ASN   35 - QE    LYS+ 102  15.39 +/- 5.60   1.424% *  0.0590% (0.66  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QE    LYS+  99  18.30 +/- 7.62   0.732% *  0.0778% (0.87  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - QE    LYS+  99  21.27 +/- 3.48   0.285% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QE    LYS+ 102  13.20 +/- 3.86   1.072% *  0.0152% (0.17  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  21.42 +/- 2.70   0.209% *  0.0749% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.73 +/- 3.71   0.616% *  0.0224% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  15.48 +/- 4.22   1.125% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  23.90 +/- 6.42   0.191% *  0.0530% (0.59  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  23.04 +/- 7.48   0.415% *  0.0210% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  25.22 +/- 3.07   0.144% *  0.0578% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.00 +/- 3.52   0.597% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  23.31 +/- 2.79   0.158% *  0.0511% (0.57  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  19.64 +/- 5.55   0.518% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.95 +/- 4.71   0.249% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  13.74 +/- 2.83   1.475% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.62 +/- 4.72   0.518% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.78 +/- 3.79   0.254% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.69 +/- 4.33   0.569% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  21.17 +/- 5.13   0.820% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  16.73 +/- 3.43   0.817% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  26.78 +/- 3.25   0.121% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.86 +/- 6.03   0.281% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.42 +/- 3.30   0.218% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.506, support = 4.54, residual support = 173.7:
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.03  65.759% * 59.3862% (0.41  10.0 10.00   4.39 173.76) =  83.782%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.45 +/- 0.62  19.668% * 38.2984% (1.00   1.0  1.00   5.30 173.76) =  16.160%  kept
        T QD    LYS+  99 - QE    LYS+  38   9.37 +/- 4.90   7.793% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.027%
        T QD    LYS+ 106 - QE    LYS+ 102   9.23 +/- 2.28   1.363% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+  99 - QE    LYS+ 102   9.15 +/- 1.37   1.045% *  0.4050% (0.28   1.0 10.00   0.02   1.40) =   0.009%
        T QD    LYS+ 106 - QE    LYS+  99  11.47 +/- 1.40   0.483% *  0.5421% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  99 - QE    LYS+ 102   8.38 +/- 1.21   1.282% *  0.0985% (0.68   1.0  1.00   0.02   1.40) =   0.003%
          HB3   LYS+  99 - QE    LYS+  38  11.22 +/- 4.20   1.015% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  17.56 +/- 3.41   0.151% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.66 +/- 2.68   0.131% *  0.1463% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.75 +/- 3.58   0.176% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  18.81 +/- 2.51   0.104% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.58 +/- 2.03   0.311% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  20.94 +/- 3.14   0.077% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.12 +/- 3.08   0.299% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.77 +/- 4.32   0.120% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  23.50 +/- 2.73   0.052% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.64 +/- 1.57   0.171% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.906, support = 4.65, residual support = 175.9:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.86 +/- 0.44  34.191% * 83.8077% (1.00  10.0 10.00   4.71 173.76) =  89.242%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.81 +/- 0.44  35.508% *  8.4857% (0.10  10.0 10.00   4.40 220.08) =   9.384%  kept
          QG2   THR   39 - QE    LYS+  38   5.99 +/- 1.50   9.982% *  2.5780% (0.17   1.0  1.00   3.53  23.85) =   0.801%  kept
          QG2   THR   39 - QE    LYS+  99   7.91 +/- 4.49   6.526% *  2.4143% (0.65   1.0  1.00   0.89   0.02) =   0.491%  kept
        T HG3   LYS+  38 - QE    LYS+  99  10.01 +/- 6.05   2.696% *  0.3145% (0.38   1.0 10.00   0.02   0.02) =   0.026%
        T HG3   LYS+  99 - QE    LYS+ 102   9.41 +/- 1.34   1.209% *  0.5716% (0.68   1.0 10.00   0.02   1.40) =   0.022%
        T HG3   LYS+  99 - QE    LYS+  38   9.96 +/- 4.89   2.458% *  0.2261% (0.27   1.0 10.00   0.02   0.02) =   0.017%
          HG    LEU   71 - QE    LYS+  99  11.10 +/- 4.88   1.277% *  0.0831% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - QE    LYS+ 102  16.16 +/- 4.10   0.420% *  0.2350% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  38 - QE    LYS+ 102  15.88 +/- 6.06   0.429% *  0.2145% (0.26   1.0 10.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - QE    LYS+  99  18.27 +/- 3.07   0.184% *  0.3445% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  38  10.07 +/- 2.21   1.673% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  99  15.10 +/- 2.83   0.299% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  16.58 +/- 2.09   0.233% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+ 102  14.11 +/- 3.49   0.380% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  14.45 +/- 3.16   0.525% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.14 +/- 2.58   0.192% *  0.0570% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  18.04 +/- 3.43   0.182% *  0.0566% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.28 +/- 2.46   0.245% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.86 +/- 1.45   0.145% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  23.35 +/- 3.10   0.082% *  0.0930% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.47 +/- 3.66   0.138% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  19.01 +/- 2.26   0.168% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  17.52 +/- 2.91   0.185% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  22.50 +/- 3.15   0.102% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.63 +/- 2.71   0.086% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  20.43 +/- 3.10   0.115% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.56 +/- 4.23   0.242% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  22.87 +/- 1.59   0.081% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  28.00 +/- 3.27   0.046% *  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 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.85 +/- 0.20  76.196% * 99.1823% (1.00  10.0 10.00   4.26  75.51) =  99.983%  kept
        T HB2   GLU- 100 - HA    LYS+  38   9.70 +/- 5.69  15.525% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PHE   97 - HA    GLU- 100  11.27 +/- 0.74   1.331% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   PRO   58 - HA    GLU- 100  24.05 +/- 4.39   0.190% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    GLU- 100  11.80 +/- 4.15   2.695% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  20.84 +/- 2.85   0.239% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.90 +/- 2.92   0.111% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  22.77 +/- 3.91   0.237% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.17 +/- 0.79   2.528% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  15.13 +/- 2.66   0.661% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.37 +/- 2.51   0.109% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.91 +/- 1.79   0.177% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.55 +/- 0.23  67.530% * 99.2716% (1.00  10.0 10.00   4.26  75.51) =  99.981%  kept
        T HB3   GLU- 100 - HA    LYS+  38   9.19 +/- 5.83  17.171% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.015%
          HB2   GLN   30 - HA    GLU- 100  14.20 +/- 3.22   0.706% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU- 100  15.30 +/- 3.46   0.524% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLU- 100  19.18 +/- 5.38   1.129% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.57 +/- 4.94   0.791% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  23.99 +/- 4.96   0.148% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  19.88 +/- 1.87   0.162% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  20.06 +/- 3.33   0.180% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.21 +/- 1.69   1.630% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.13 +/- 2.11   1.276% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  11.15 +/- 3.22   4.094% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  30.22 +/- 4.21   0.064% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  14.98 +/- 3.68   3.507% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.59 +/- 0.98   0.096% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.99 +/- 3.05   0.067% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.52 +/- 3.18   0.465% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.94 +/- 4.41   0.143% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.34 +/- 2.87   0.107% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  29.02 +/- 4.33   0.071% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.66 +/- 1.48   0.086% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.73 +/- 3.17   0.053% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.71, residual support = 75.5:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.93 +/- 0.52  59.677% * 99.4988% (1.00  10.0 10.00   4.72  75.51) =  99.978%  kept
        T HG2   GLU- 100 - HA    LYS+  38   8.56 +/- 5.27  17.337% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.018%
          HB2   MET   96 - HA    GLU- 100  13.63 +/- 0.98   0.706% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  15.10 +/- 0.42   0.501% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    GLU- 100  17.00 +/- 5.49   1.704% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLU- 100  20.52 +/- 5.74   1.306% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  13.24 +/- 3.49  13.887% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  16.71 +/- 4.16   0.551% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.22 +/- 3.31   0.659% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  21.63 +/- 2.37   0.195% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.19 +/- 1.56   0.089% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.26 +/- 2.21   1.597% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  17.05 +/- 2.09   0.412% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  18.77 +/- 2.59   0.294% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.45 +/- 1.26   0.608% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  22.19 +/- 1.48   0.174% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.94 +/- 1.27   0.226% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  28.67 +/- 1.58   0.077% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.85 +/- 0.20  82.581% * 98.6741% (1.00  10.0 10.00   4.26  75.51) =  99.953%  kept
        T HA    LYS+  38 - HB2   GLU- 100   9.70 +/- 5.69  16.853% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.045%
        T HD2   PRO   58 - HB2   GLU- 100  26.52 +/- 3.76   0.131% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  22.52 +/- 4.66   0.264% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.66 +/- 4.01   0.171% *  0.0406% (0.41   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 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  98.792% * 99.3690% (1.00  10.0 10.00   2.00  75.51) =  99.999%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.96 +/- 2.77   0.170% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  17.01 +/- 3.07   0.144% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.59 +/- 4.81   0.301% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  20.49 +/- 5.25   0.295% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.59 +/- 2.12   0.071% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  24.43 +/- 5.02   0.051% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  20.84 +/- 3.96   0.078% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  31.17 +/- 4.26   0.031% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.77 +/- 1.14   0.036% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  27.60 +/- 3.14   0.030% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.98 +/- 0.08  92.545% * 99.5837% (1.00  10.0 10.00   3.24  75.51) =  99.997%  kept
          QG    GLN   17 - HB2   GLU- 100  18.17 +/- 5.41   2.809% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB2   GLU- 100  15.23 +/- 1.21   0.747% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.90 +/- 0.94   0.781% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU- 100  18.36 +/- 3.87   0.791% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  16.22 +/- 3.65   0.857% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  23.36 +/- 2.21   0.217% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.29 +/- 5.52   1.140% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.38 +/- 1.50   0.113% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.55 +/- 0.23  79.439% * 99.5406% (1.00  10.0 10.00   4.26  75.51) =  99.943%  kept
        T HA    LYS+  38 - HB3   GLU- 100   9.19 +/- 5.83  20.139% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.056%
          HA    VAL   83 - HB3   GLU- 100  22.52 +/- 4.54   0.150% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  26.57 +/- 4.14   0.111% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  27.68 +/- 4.43   0.161% *  0.0409% (0.41   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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.038% * 99.6840% (1.00  10.0 10.00   2.00  75.51) =  99.999%  kept
          HB3   PHE   97 - HB3   GLU- 100  12.04 +/- 0.89   0.323% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  12.68 +/- 3.52   0.482% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  22.16 +/- 3.20   0.064% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.54 +/- 3.32   0.033% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  24.95 +/- 4.60   0.060% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.60 +/- 0.18  93.984% * 99.0882% (1.00  10.0 10.00   3.24  75.51) =  99.990%  kept
        T QG    GLN   17 - HB3   GLU- 100  17.92 +/- 5.30   2.464% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.007%
        T HB    VAL   70 - HB3   GLU- 100  16.09 +/- 3.74   0.559% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HB3   GLU- 100  15.69 +/- 0.84   0.449% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  15.08 +/- 0.72   0.501% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.96 +/- 5.43   1.291% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  18.02 +/- 3.64   0.524% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  23.18 +/- 2.49   0.156% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.51 +/- 1.42   0.073% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.5:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.93 +/- 0.52  76.772% * 99.5406% (1.00  10.0 10.00   4.72  75.51) =  99.935%  kept
        T HA    LYS+  38 - HG2   GLU- 100   8.56 +/- 5.27  21.865% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.063%
          HD2   PRO   58 - HG2   GLU- 100  25.69 +/- 4.23   0.353% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.01 +/- 4.65   0.723% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   GLU- 100  22.78 +/- 4.44   0.286% *  0.0993% (1.00   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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.98 +/- 0.08  94.704% * 99.6840% (1.00  10.0 10.00   3.24  75.51) =  99.997%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.45 +/- 1.51   2.011% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   32 - HG2   GLU- 100  12.51 +/- 3.44   2.466% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG2   GLU- 100  25.75 +/- 3.27   0.177% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  23.93 +/- 4.75   0.371% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  22.26 +/- 2.64   0.271% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.60 +/- 0.18  95.156% * 98.4783% (1.00  10.0 10.00   3.24  75.51) =  99.991%  kept
        T QB    GLU-  15 - HG2   GLU- 100  15.80 +/- 4.44   1.604% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HG2   GLU- 100  19.54 +/- 4.90   0.807% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   68 - HG2   GLU- 100  19.77 +/- 4.05   0.302% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG2   GLU- 100  15.19 +/- 2.69   0.712% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU- 100  16.25 +/- 2.95   0.547% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG2   GLU- 100  20.64 +/- 2.34   0.278% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  23.68 +/- 5.27   0.215% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  30.49 +/- 4.75   0.161% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.34 +/- 0.81   0.122% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.29 +/- 3.07   0.097% *  0.0274% (0.28   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 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  99.947% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  22.43 +/- 2.33   0.053% *  0.0375% (0.38   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 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  99.075% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ASN   28 - HA2   GLY  101  16.41 +/- 5.25   0.352% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HA2   GLY  101  14.60 +/- 4.18   0.277% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  20.47 +/- 4.75   0.124% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  23.49 +/- 3.56   0.049% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  25.24 +/- 3.26   0.038% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  26.93 +/- 9.22   0.056% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.90 +/- 3.76   0.028% *  0.0277% (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 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 6.31, residual support = 157.9:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.40 +/- 0.13  85.407% * 90.1258% (1.00  10.0 10.00   6.31 159.77) =  98.636%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.90 +/- 0.60  11.687% *  9.0434% (0.34   1.0  1.00   5.88  23.47) =   1.354%  kept
        T HB    VAL   41 - HA    LYS+ 102  11.31 +/- 3.44   1.530% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   71 - HA    LYS+ 102  16.64 +/- 3.59   0.328% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  19.95 +/- 2.63   0.216% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  22.15 +/- 5.47   0.380% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.41 +/- 1.14   0.111% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  21.01 +/- 2.06   0.143% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  24.52 +/- 5.75   0.124% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  27.74 +/- 3.69   0.074% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.8:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   2.98 +/- 0.66  91.242% * 99.3298% (1.00  10.0 10.00   5.75 159.77) =  99.994%  kept
          HG    LEU   40 - HA    LYS+ 102  12.98 +/- 3.56   2.099% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    LYS+ 102  15.22 +/- 2.76   1.165% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 102  17.88 +/- 3.32   1.045% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  19.48 +/- 2.85   0.547% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  19.86 +/- 2.85   0.495% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  21.44 +/- 2.29   0.367% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  21.59 +/- 3.03   0.347% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.03 +/- 1.67   0.633% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  19.17 +/- 5.27   0.694% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  20.85 +/- 4.18   0.473% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.17 +/- 3.81   0.572% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  22.36 +/- 2.99   0.321% *  0.0248% (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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.995, support = 5.02, residual support = 158.5:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.85 +/- 0.57  59.718% * 94.7722% (1.00  10.0 10.00   5.05 159.77) =  99.222%  kept
          QB    LEU   98 - HA    LYS+ 102   4.92 +/- 0.77  20.363% *  2.0327% (0.34   1.0  1.00   1.26   1.75) =   0.726%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102  10.18 +/- 1.49   1.872% *  0.8965% (0.95   1.0 10.00   0.02   0.02) =   0.029%
        T HG3   LYS+  33 - HA    LYS+ 102  17.25 +/- 4.04   0.619% *  0.8965% (0.95   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   98 - HA    LYS+ 102   5.99 +/- 1.35  13.485% *  0.0264% (0.28   1.0  1.00   0.02   1.75) =   0.006%
        T HG3   LYS+  65 - HA    LYS+ 102  23.50 +/- 2.79   0.163% *  0.9290% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+ 102  16.31 +/- 3.05   1.099% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+ 102  13.33 +/- 2.44   1.022% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+ 102  23.78 +/- 6.00   0.388% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.00 +/- 2.57   0.166% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  16.91 +/- 2.76   0.365% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.24 +/- 1.34   0.184% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  22.95 +/- 6.60   0.246% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.72 +/- 2.46   0.311% *  0.0146% (0.15   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 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.7:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.56 +/- 0.66  75.366% * 98.2489% (1.00 10.00   5.05 159.77) =  99.980%  kept
          QD    LYS+  38 - HA    LYS+ 102  13.87 +/- 5.12   3.735% *  0.0787% (0.80  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HA    LYS+ 102  21.21 +/- 2.95   0.508% *  0.5562% (0.57 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 111 - HA    LYS+ 102  25.04 +/- 2.95   0.400% *  0.6749% (0.69 10.00   0.02   0.02) =   0.004%
          QD    LYS+  99 - HA    LYS+ 102   8.26 +/- 1.11   9.581% *  0.0219% (0.22  1.00   0.02   1.40) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 102   9.66 +/- 1.72   6.097% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+ 102  18.59 +/- 4.13   1.143% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 102  19.94 +/- 8.39   0.980% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 102  16.43 +/- 3.00   1.091% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  24.44 +/- 6.64   0.384% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.96 +/- 1.28   0.334% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  22.57 +/- 1.65   0.380% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 159.5:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.53 +/- 0.36  80.947% * 98.4155% (1.00 10.00   5.05 159.77) =  99.829%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.41 +/- 1.50  15.901% *  0.6760% (0.69 10.00   0.02   1.40) =   0.135%  kept
        T QE    LYS+  38 - HA    LYS+ 102  13.99 +/- 4.69   3.152% *  0.9085% (0.92 10.00   0.02   0.02) =   0.036%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.8:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.13  92.646% * 99.1785% (1.00  10.0 10.00   6.31 159.77) =  99.990%  kept
        T HA    LYS+ 102 - HB    VAL   41  11.31 +/- 3.44   1.655% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.008%
          HA    CYS   21 - QB    LYS+ 102  19.84 +/- 3.79   1.032% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB    VAL   41  12.45 +/- 2.96   1.423% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB    VAL   41  12.23 +/- 3.88   1.755% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.92 +/- 3.65   0.148% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.21 +/- 1.07   0.190% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.86 +/- 3.62   0.202% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.07 +/- 3.09   0.335% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  22.85 +/- 3.44   0.222% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.68 +/- 2.58   0.199% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.38 +/- 3.06   0.192% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 0.996, support = 5.3, residual support = 158.8:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.14  74.947% * 89.2663% (1.00  10.0 10.00   5.31 159.77) =  99.304%  kept
          HG    LEU   40 - HB    VAL   41   5.99 +/- 0.79   5.503% *  6.6639% (0.36   1.0  1.00   4.15  20.77) =   0.544%  kept
          HG    LEU   73 - HB    VAL   41   6.56 +/- 2.31   8.520% *  1.0574% (0.44   1.0  1.00   0.54   0.02) =   0.134%  kept
        T HG2   LYS+ 102 - HB    VAL   41  13.28 +/- 3.63   0.700% *  0.4011% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   67 - HB    VAL   41  11.50 +/- 2.64   0.992% *  0.2755% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T QG    LYS+  66 - HB    VAL   41  14.42 +/- 2.06   0.437% *  0.3479% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - QB    LYS+ 102  18.39 +/- 2.95   0.221% *  0.6132% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - QB    LYS+ 102  19.93 +/- 2.24   0.144% *  0.7743% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QB    LYS+ 102  12.44 +/- 3.46   0.789% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+ 102  15.05 +/- 2.29   0.461% *  0.0875% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HB    VAL   41  11.37 +/- 2.60   1.067% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.61 +/- 4.24   2.177% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  11.49 +/- 2.46   1.029% *  0.0211% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  16.81 +/- 2.93   0.299% *  0.0470% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  18.73 +/- 2.88   0.189% *  0.0613% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  19.75 +/- 2.86   0.158% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  17.00 +/- 5.01   0.377% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.40 +/- 1.65   0.216% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  18.58 +/- 2.06   0.180% *  0.0321% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.17 +/- 3.77   0.181% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  16.78 +/- 4.36   0.384% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  19.29 +/- 3.18   0.191% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  20.43 +/- 2.82   0.138% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.82 +/- 4.06   0.299% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.71 +/- 2.06   0.221% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.94 +/- 2.50   0.180% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.94, support = 4.63, residual support = 148.5:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.39 +/- 0.17  48.952% * 58.9358% (1.00  10.0 10.00   4.75 159.77) =  91.686%  kept
        T QB    LEU   98 - HB    VAL   41   5.69 +/- 2.77  15.327% *  9.0331% (0.15   1.0 10.00   2.82  22.23) =   4.400%  kept
        T HB    VAL   42 - HB    VAL   41   5.62 +/- 0.65   4.330% * 25.9572% (0.44   1.0 10.00   4.14  28.72) =   3.572%  kept
          QB    LEU   98 - QB    LYS+ 102   5.80 +/- 0.66   3.820% *  1.3862% (0.34   1.0  1.00   1.38   1.75) =   0.168%  kept
          HG    LEU   98 - HB    VAL   41   6.48 +/- 3.31  12.332% *  0.2946% (0.12   1.0  1.00   0.80  22.23) =   0.115%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   9.37 +/- 1.32   0.962% *  0.5575% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+  33 - HB    VAL   41   9.46 +/- 3.41   1.574% *  0.2505% (0.43   1.0 10.00   0.02   0.02) =   0.013%
        T HB    VAL   42 - QB    LYS+ 102  12.98 +/- 2.15   0.344% *  0.5777% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   73 - HB    VAL   41   7.64 +/- 1.89   5.056% *  0.0264% (0.45   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HB    VAL   41  12.82 +/- 3.15   0.460% *  0.2505% (0.43   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QB    LYS+ 102  16.59 +/- 3.45   0.188% *  0.5575% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HB    VAL   41  13.46 +/- 3.43   0.341% *  0.2648% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HB    VAL   41  15.41 +/- 2.14   0.248% *  0.2596% (0.44   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QB    LYS+ 102   6.96 +/- 1.03   2.852% *  0.0164% (0.28   1.0  1.00   0.02   1.75) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.72 +/- 2.36   0.079% *  0.5841% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QB    LYS+ 102  22.09 +/- 2.41   0.075% *  0.5777% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  21.64 +/- 3.19   0.102% *  0.2625% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  16.04 +/- 2.67   0.244% *  0.0588% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.97 +/- 5.56   0.358% *  0.0357% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  16.22 +/- 2.54   0.208% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  10.97 +/- 1.87   1.098% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.38 +/- 3.84   0.212% *  0.0161% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  15.47 +/- 1.94   0.216% *  0.0099% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.86 +/- 1.06   0.088% *  0.0242% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.20 +/- 2.25   0.161% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  20.25 +/- 6.27   0.132% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.12 +/- 2.18   0.113% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  20.63 +/- 5.63   0.129% *  0.0052% (0.09   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 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.7:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.18 +/- 0.22  80.120% * 94.6216% (1.00  10.0 10.00   4.75 159.77) =  99.971%  kept
        T QD    LYS+  38 - QB    LYS+ 102  12.79 +/- 4.80   0.844% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 102 - HB    VAL   41  13.06 +/- 3.41   1.064% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - HB    VAL   41  10.67 +/- 0.97   0.811% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  99 - QB    LYS+ 102   7.12 +/- 1.56   5.672% *  0.0211% (0.22   1.0  1.00   0.02   1.40) =   0.002%
        T QD    LYS+  65 - QB    LYS+ 102  19.92 +/- 2.51   0.175% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB    VAL   41  14.05 +/- 1.95   0.383% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - QB    LYS+ 102  21.34 +/- 1.00   0.096% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  21.75 +/- 5.56   0.196% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  22.64 +/- 2.90   0.099% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41   7.92 +/- 1.81   3.574% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HB    VAL   41  19.29 +/- 2.15   0.138% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.91 +/- 1.45   1.658% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB    VAL   41  23.73 +/- 3.49   0.079% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  16.15 +/- 2.58   0.591% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  17.84 +/- 7.80   0.434% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   9.22 +/- 3.12   2.040% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  21.73 +/- 6.31   0.159% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  18.11 +/- 3.72   0.214% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  17.98 +/- 6.54   0.518% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  16.00 +/- 3.97   0.308% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  12.57 +/- 2.82   0.607% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  21.12 +/- 1.52   0.098% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.53 +/- 1.72   0.123% *  0.0241% (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 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.7, residual support = 157.8:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.75 +/- 0.52  71.984% * 84.1288% (1.00 10.00   4.75 159.77) =  98.771%  kept
        T QE    LYS+  99 - HB    VAL   41   8.74 +/- 3.27   5.181% * 11.1122% (0.31 10.00   0.86   0.02) =   0.939%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.42 +/- 1.77  16.825% *  0.5779% (0.69 10.00   0.02   1.40) =   0.159%  kept
        T QE    LYS+  38 - HB    VAL   41  10.74 +/- 1.37   1.713% *  3.0265% (0.41 10.00   0.17   0.02) =   0.085%
        T QE    LYS+  38 - QB    LYS+ 102  12.92 +/- 4.55   3.164% *  0.7766% (0.92 10.00   0.02   0.02) =   0.040%
        T QE    LYS+ 102 - HB    VAL   41  12.98 +/- 3.32   1.133% *  0.3780% (0.45 10.00   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.8:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   2.98 +/- 0.66  97.474% * 99.7392% (1.00  10.0 10.00   5.75 159.77) =  99.998%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.36 +/- 4.86   1.417% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - HG2   LYS+ 102  22.55 +/- 1.45   0.372% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  30.79 +/- 4.18   0.151% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.57 +/- 4.02   0.185% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.75 +/- 3.95   0.400% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 159.3:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.37 +/- 0.14  94.027% * 91.6894% (1.00  10.0 10.00   5.31 159.77) =  99.673%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.24 +/- 0.86   4.027% *  6.8985% (0.34   1.0  1.00   4.41  23.47) =   0.321%  kept
        T HB    VAL   41 - HG2   LYS+ 102  13.28 +/- 3.63   0.882% *  0.4463% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  66 - HG2   LYS+ 102  22.44 +/- 2.57   0.129% *  0.6298% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  18.23 +/- 3.78   0.270% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.53 +/- 2.75   0.187% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  23.75 +/- 5.49   0.206% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.17 +/- 1.63   0.098% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  25.70 +/- 6.12   0.111% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.50 +/- 3.72   0.062% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  95.475% * 96.7067% (1.00  10.0 10.00   4.42 159.77) =  99.993%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.64 +/- 1.44   0.384% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - HG2   LYS+ 102  18.53 +/- 4.30   0.120% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   7.03 +/- 1.01   1.848% *  0.0330% (0.34   1.0  1.00   0.02   1.75) =   0.001%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.28 +/- 2.98   0.041% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.28 +/- 1.48   1.301% *  0.0269% (0.28   1.0  1.00   0.02   1.75) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  18.36 +/- 3.29   0.218% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  15.22 +/- 2.70   0.176% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  24.83 +/- 5.94   0.105% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.58 +/- 2.95   0.103% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.48 +/- 3.47   0.039% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.07 +/- 1.89   0.045% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  23.62 +/- 7.05   0.075% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.83 +/- 2.93   0.070% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.28 +/- 0.15  93.157% * 98.2489% (1.00  10.0 10.00   4.42 159.77) =  99.996%  kept
          QD    LYS+  38 - HG2   LYS+ 102  14.39 +/- 5.74   1.160% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  22.80 +/- 3.02   0.129% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   8.83 +/- 1.50   3.031% *  0.0219% (0.22   1.0  1.00   0.02   1.40) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  26.46 +/- 3.44   0.089% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG2   LYS+ 102  10.94 +/- 1.61   1.065% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  18.45 +/- 3.24   0.591% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  20.66 +/- 4.31   0.220% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  21.11 +/- 8.59   0.262% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  25.49 +/- 7.07   0.110% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.72 +/- 1.98   0.084% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  24.40 +/- 2.31   0.099% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 159.6:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   2.98 +/- 0.51  90.844% * 98.4155% (1.00  10.0 10.00   4.42 159.77) =  99.924%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.97 +/- 1.76   6.428% *  0.6760% (0.69   1.0 10.00   0.02   1.40) =   0.049%
        T QE    LYS+  38 - HG2   LYS+ 102  14.47 +/- 5.43   2.728% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.028%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.7:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.85 +/- 0.57  76.480% * 97.9004% (1.00  10.0 10.00   5.05 159.77) =  99.976%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106  10.18 +/- 1.49   2.628% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+ 102 - HG3   LYS+  33  17.25 +/- 4.04   0.824% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.005%
          HA    CYS   21 - HG3   LYS+ 102  22.42 +/- 4.55   2.384% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 102 - HG3   LYS+  65  23.50 +/- 2.79   0.243% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    TRP   49 - HG3   LYS+  65  16.30 +/- 5.14   2.881% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  10.97 +/- 1.82   2.635% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HG3   LYS+  65  15.15 +/- 4.78   2.667% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+  65  14.26 +/- 1.98   1.082% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  11.82 +/- 2.18   2.098% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  20.09 +/- 4.07   0.420% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.01 +/- 1.20   1.606% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.76 +/- 3.84   0.631% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.11 +/- 0.38   1.260% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  21.98 +/- 1.38   0.221% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.13 +/- 2.51   0.436% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  30.44 +/- 4.11   0.092% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.19 +/- 4.05   0.115% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  27.31 +/- 4.29   0.147% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  26.39 +/- 3.91   0.143% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  27.57 +/- 3.21   0.128% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.87 +/- 2.99   0.308% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  22.71 +/- 2.47   0.201% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.25 +/- 2.85   0.369% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.901, support = 5.17, residual support = 156.6:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.39 +/- 0.17  36.874% * 49.4965% (1.00  10.0 10.00   4.75 159.77) =  52.903%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.33 +/- 0.14  39.825% * 39.4823% (0.80  10.0  1.00   5.69 157.13) =  45.577%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.15 +/- 1.18   7.520% *  5.9210% (0.56   1.0  1.00   4.28  29.94) =   1.291%  kept
          HG12  ILE  103 - HG3   LYS+ 102   6.82 +/- 0.99   2.260% *  3.2660% (0.34   1.0  1.00   3.87  23.47) =   0.214%  kept
        T HB    VAL   41 - HG3   LYS+  33   9.46 +/- 3.41   1.038% *  0.1197% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - HG3   LYS+ 102  13.46 +/- 3.43   0.327% *  0.2409% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.37 +/- 1.32   0.704% *  0.0902% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG3   LYS+  33  10.43 +/- 3.29   2.446% *  0.0237% (0.48   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+  33  16.59 +/- 3.45   0.140% *  0.2459% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  15.41 +/- 2.14   0.165% *  0.1961% (0.40   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  22.09 +/- 2.41   0.054% *  0.4028% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  65  12.16 +/- 4.96   0.909% *  0.0196% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG3   LYS+  65  16.08 +/- 4.48   0.441% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  12.82 +/- 3.15   0.318% *  0.0439% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  11.96 +/- 2.68   1.049% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.27 +/- 1.90   0.269% *  0.0389% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.51 +/- 2.30   3.124% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  18.51 +/- 3.55   0.105% *  0.0478% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  16.00 +/- 2.16   0.179% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.56 +/- 2.75   0.064% *  0.0485% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.73 +/- 2.40   0.153% *  0.0169% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  24.03 +/- 5.58   0.100% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.66 +/- 4.23   0.298% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.64 +/- 1.63   0.040% *  0.0457% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.83 +/- 1.52   0.219% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  22.53 +/- 2.55   0.049% *  0.0340% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.44 +/- 3.57   0.182% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  16.26 +/- 2.97   0.162% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  19.78 +/- 3.21   0.093% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  17.49 +/- 3.13   0.124% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  17.39 +/- 3.27   0.138% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.56 +/- 2.37   0.032% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  18.58 +/- 3.18   0.114% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.44 +/- 5.39   0.107% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  21.81 +/- 4.39   0.084% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  25.63 +/- 5.79   0.042% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.08 +/- 3.72   0.025% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.64 +/- 4.85   0.109% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.99 +/- 3.93   0.086% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.35 +/- 3.47   0.032% *  0.0038% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.993, support = 4.41, residual support = 156.7:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  68.237% * 85.0897% (1.00  10.0 10.00   4.42 159.77) =  97.603%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.19 +/- 2.03  11.562% * 12.2692% (0.71   1.0  1.00   4.09  29.94) =   2.385%  kept
          QB    ALA   61 - HG3   LYS+  65   6.25 +/- 2.36   9.848% *  0.0364% (0.43   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.64 +/- 1.44   0.276% *  0.1550% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.47 +/- 1.55   0.887% *  0.0476% (0.56   1.0  1.00   0.02   0.51) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   8.23 +/- 0.99   0.782% *  0.0476% (0.56   1.0  1.00   0.02   0.51) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  33  18.53 +/- 4.30   0.084% *  0.4227% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HG3   LYS+  33   9.66 +/- 2.89   0.741% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.28 +/- 2.98   0.029% *  0.6925% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  12.89 +/- 1.74   0.204% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  13.98 +/- 3.83   1.559% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  14.81 +/- 3.81   0.162% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.71 +/- 1.97   0.954% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  17.22 +/- 2.55   0.111% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  15.02 +/- 2.36   0.162% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.10 +/- 1.47   0.235% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.30 +/- 1.33   0.142% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.96 +/- 2.62   0.166% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.66 +/- 3.34   0.223% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.24 +/- 2.68   0.155% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  19.36 +/- 3.38   0.081% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.20 +/- 2.13   0.099% *  0.0367% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  12.81 +/- 3.37   0.289% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  13.22 +/- 2.54   0.206% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  21.27 +/- 3.27   0.049% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  13.28 +/- 3.54   0.224% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  15.13 +/- 1.79   0.122% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  16.89 +/- 3.68   0.113% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  22.95 +/- 2.71   0.036% *  0.0738% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  21.68 +/- 3.13   0.043% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  22.82 +/- 3.39   0.037% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  15.14 +/- 2.19   0.139% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.47 +/- 2.38   0.158% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.92 +/- 5.49   0.088% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  16.75 +/- 1.78   0.089% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.56 +/- 4.53   0.052% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  19.94 +/- 1.93   0.053% *  0.0263% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  20.74 +/- 7.09   0.095% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.72 +/- 1.38   0.283% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.06 +/- 3.80   0.126% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  17.82 +/- 3.25   0.090% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  17.43 +/- 3.78   0.108% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  13.71 +/- 4.40   0.287% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  22.05 +/- 3.84   0.048% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.06 +/- 4.45   0.090% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.72 +/- 2.21   0.027% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  14.20 +/- 3.78   0.197% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.58 +/- 3.42   0.033% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.03 +/- 4.06   0.098% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.06 +/- 3.06   0.038% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  24.83 +/- 2.74   0.028% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  20.17 +/- 2.91   0.055% *  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 = 0.791, support = 4.12, residual support = 158.1:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.43 +/- 0.14  28.333% * 63.6907% (1.00  10.0 10.00   4.00 159.77) =  63.756%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.35 +/- 0.16  31.822% * 29.3443% (0.46  10.0 10.00   4.32 157.13) =  32.992%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.35 +/- 0.16  31.627% *  2.8935% (0.05  10.0  1.00   4.62 135.04) =   3.233%  kept
        T HB2   LEU   73 - HG3   LYS+  33  10.60 +/- 3.34   0.699% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - HG3   LYS+  65  11.93 +/- 1.99   0.325% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 106  10.58 +/- 1.45   0.388% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+ 102  18.43 +/- 2.93   0.155% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  33  17.75 +/- 4.00   0.116% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  23.42 +/- 3.25   0.052% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  16.81 +/- 2.47   0.131% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.81 +/- 2.74   0.051% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 102  22.83 +/- 3.20   0.048% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 102  14.97 +/- 5.59   0.320% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.94 +/- 3.16   0.037% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG3   LYS+  65  17.11 +/- 5.46   0.540% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+  65  15.93 +/- 4.21   0.307% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 106  16.05 +/- 2.69   0.150% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   9.32 +/- 1.48   0.792% *  0.0142% (0.22   1.0  1.00   0.02   1.40) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.73 +/- 1.06   0.355% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  17.80 +/- 3.61   0.127% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.32 +/- 1.71   0.510% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.28 +/- 2.55   0.155% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.21 +/- 4.04   0.020% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  17.86 +/- 3.54   0.118% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  20.13 +/- 4.64   0.093% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  19.85 +/- 3.02   0.073% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  19.95 +/- 2.61   0.082% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  21.04 +/- 8.41   0.092% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  25.93 +/- 6.05   0.103% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  17.53 +/- 2.01   0.090% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  14.31 +/- 7.08   0.382% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  25.44 +/- 6.77   0.038% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.46 +/- 3.34   0.318% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.22 +/- 1.81   0.031% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  20.90 +/- 5.95   0.085% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.48 +/- 1.41   0.152% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.23 +/- 3.47   0.110% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  23.28 +/- 6.18   0.080% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.80 +/- 3.74   0.176% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.81 +/- 2.33   0.034% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.53 +/- 2.27   0.178% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  18.87 +/- 5.44   0.092% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.01 +/- 0.99   0.343% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.57 +/- 2.46   0.027% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.40 +/- 1.63   0.069% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  18.62 +/- 3.12   0.082% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.36 +/- 2.93   0.066% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  25.79 +/- 2.29   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 = 0.999, support = 4.0, residual support = 159.7:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.35  89.688% * 94.7812% (1.00  10.0 10.00   4.00 159.77) =  99.943%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.53 +/- 1.82   2.748% *  0.6511% (0.69   1.0 10.00   0.02   1.40) =   0.021%
        T QE    LYS+  38 - HG3   LYS+ 102  15.05 +/- 5.22   1.160% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T QE    LYS+  38 - HG3   LYS+  33  10.73 +/- 1.07   1.351% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  99 - HG3   LYS+  33  12.97 +/- 3.05   0.932% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+ 102 - HG3   LYS+ 106  10.01 +/- 2.06   1.659% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  38 - HG3   LYS+  65  20.06 +/- 3.12   0.287% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  33  17.73 +/- 4.07   0.427% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+  65  17.63 +/- 1.80   0.305% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+ 106  11.51 +/- 1.15   1.022% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  65  23.20 +/- 2.91   0.141% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  18.75 +/- 2.97   0.280% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.7:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.56 +/- 0.66  60.153% * 98.9625% (1.00 10.00   5.05 159.77) =  99.946%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.36 +/- 1.92  16.949% *  0.1493% (0.13  1.00   0.24   0.02) =   0.042%
          HA    CYS   21 - QD    LYS+ 102  21.04 +/- 4.75   2.584% *  0.0827% (0.84  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 102 - QD    LYS+  65  21.21 +/- 2.95   0.410% *  0.2501% (0.25 10.00   0.02   0.02) =   0.002%
          HA    CYS   50 - QD    LYS+  65  13.77 +/- 4.01   7.065% *  0.0112% (0.11  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  25.04 +/- 2.95   0.295% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+  65  14.78 +/- 4.44   2.619% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  13.01 +/- 1.94   1.544% *  0.0209% (0.21  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QD    LYS+ 102  20.18 +/- 1.16   0.382% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  28.15 +/- 3.76   0.258% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  10.93 +/- 2.32   3.182% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.13 +/- 3.60   0.330% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.22 +/- 3.16   1.175% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  18.17 +/- 3.84   1.066% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.35 +/- 4.03   0.544% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  19.65 +/- 3.00   0.520% *  0.0167% (0.17  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.33 +/- 5.64   0.401% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.51 +/- 4.84   0.522% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.838, support = 4.83, residual support = 157.3:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.18 +/- 0.22  37.871% * 70.2948% (1.00  10.0 10.00   4.75 159.77) =  78.482%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.15 +/- 0.15  39.312% * 17.4155% (0.25  10.0 10.00   5.28 157.13) =  20.184%  kept
          QB    LYS+  66 - QD    LYS+  65   5.24 +/- 0.97   6.361% *  2.7272% (0.17   1.0  1.00   4.47  29.94) =   0.511%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.42 +/- 3.83   8.966% *  1.9112% (0.24   1.0 10.00   0.23   0.02) =   0.505%  kept
          HG12  ILE  103 - QD    LYS+ 102   7.12 +/- 1.08   2.225% *  4.6814% (0.34   1.0  1.00   3.90  23.47) =   0.307%  kept
        T HB    VAL   41 - QD    LYS+ 102  13.06 +/- 3.41   0.390% *  0.3422% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+  65 - QD    LYS+ 102  19.97 +/- 2.99   0.095% *  0.6890% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   PRO   93 - QD    LYS+  65  14.79 +/- 3.97   0.285% *  0.1640% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.92 +/- 1.23   0.038% *  0.6489% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  11.05 +/- 5.10   1.896% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  14.05 +/- 1.95   0.166% *  0.0865% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.30 +/- 2.16   0.079% *  0.1801% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  19.92 +/- 2.51   0.065% *  0.1777% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.64 +/- 2.90   0.049% *  0.1838% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  17.39 +/- 3.36   0.095% *  0.0678% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  23.38 +/- 5.58   0.045% *  0.1085% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.10 +/- 1.96   0.277% *  0.0171% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.73 +/- 3.49   0.039% *  0.0894% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  16.74 +/- 3.10   0.117% *  0.0274% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.73 +/- 2.49   0.052% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.26 +/- 5.05   0.071% *  0.0342% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  19.31 +/- 4.09   0.186% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.18 +/- 1.48   0.081% *  0.0284% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  15.93 +/- 4.36   0.578% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  13.21 +/- 4.80   0.382% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  17.89 +/- 3.34   0.127% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  26.14 +/- 4.43   0.030% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.79 +/- 2.95   0.075% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  26.87 +/- 3.52   0.025% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.19 +/- 4.34   0.024% *  0.0089% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.987, support = 4.42, residual support = 157.7:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.28 +/- 0.15  53.286% * 92.8566% (1.00  10.0 10.00   4.42 159.77) =  98.435%  kept
          QG    LYS+  66 - QD    LYS+  65   5.25 +/- 1.69  14.179% *  4.6033% (0.22   1.0  1.00   4.52  29.94) =   1.299%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.22 +/- 1.47  11.403% *  1.1419% (0.08   1.0  1.00   3.05   9.12) =   0.259%  kept
          QB    ALA   61 - QD    LYS+  65   5.80 +/- 2.08   8.833% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD    LYS+ 102  16.43 +/- 3.12   0.380% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HD2   LYS+ 111   9.04 +/- 1.79   1.558% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    LYS+  65   8.37 +/- 1.54   1.579% *  0.0161% (0.17   1.0  1.00   0.02   0.51) =   0.001%
          HG    LEU   40 - QD    LYS+ 102  14.02 +/- 3.49   0.322% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.20 +/- 0.88   1.297% *  0.0161% (0.17   1.0  1.00   0.02   0.51) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  22.80 +/- 3.02   0.076% *  0.2347% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  26.46 +/- 3.44   0.051% *  0.2428% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  11.75 +/- 1.71   0.478% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  18.14 +/- 3.23   0.146% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.27 +/- 1.87   1.180% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.65 +/- 2.24   0.373% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  19.77 +/- 3.00   0.107% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  21.10 +/- 2.70   0.084% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  19.50 +/- 4.12   0.308% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  20.18 +/- 2.95   0.094% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  21.06 +/- 3.19   0.081% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  13.23 +/- 1.31   0.314% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  18.13 +/- 5.19   0.186% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  21.10 +/- 4.29   0.110% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.18 +/- 2.72   0.567% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.28 +/- 1.69   0.115% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.18 +/- 2.91   0.439% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  20.64 +/- 3.93   0.128% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  15.08 +/- 3.63   0.350% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.64 +/- 4.59   0.113% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.70 +/- 1.88   0.207% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.80 +/- 2.07   0.418% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.78 +/- 1.24   0.393% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.65 +/- 4.11   0.121% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.52 +/- 3.57   0.095% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  21.76 +/- 3.14   0.070% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.93 +/- 3.99   0.092% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  15.11 +/- 1.84   0.247% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  22.48 +/- 5.83   0.155% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.16 +/- 4.81   0.063% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.835, support = 4.07, residual support = 158.6:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.43 +/- 0.14  37.957% * 72.6999% (1.00  10.0 10.00   4.00 159.77) =  78.134%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.35 +/- 0.16  42.043% * 18.0113% (0.25  10.0 10.00   4.32 157.13) =  21.441%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   6.95 +/- 1.35   3.036% *  4.4714% (0.26   1.0  1.00   4.75  29.02) =   0.384%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102  10.58 +/- 1.45   0.528% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   LEU   73 - QD    LYS+ 102  17.41 +/- 3.47   0.443% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   PRO   93 - HD2   LYS+ 111  10.43 +/- 3.60   2.959% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QD    LYS+ 102  17.75 +/- 4.00   0.160% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD    LYS+ 102   7.18 +/- 1.13   2.234% *  0.0248% (0.34   1.0  1.00   0.02   1.75) =   0.002%
        T HG3   LYS+  65 - QD    LYS+ 102  23.42 +/- 3.25   0.073% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HD2   LYS+ 111  16.05 +/- 2.69   0.199% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  16.81 +/- 2.47   0.195% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  17.80 +/- 3.61   0.171% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.48 +/- 1.50   1.346% *  0.0202% (0.28   1.0  1.00   0.02   1.75) =   0.001%
        T HB3   LEU   73 - HD2   LYS+ 111  22.42 +/- 4.42   0.084% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  14.60 +/- 2.51   0.223% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.81 +/- 2.74   0.069% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  10.83 +/- 1.96   0.669% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  22.83 +/- 3.20   0.065% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.94 +/- 3.16   0.049% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.45 +/- 1.66   0.490% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65   9.05 +/- 2.36   2.854% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  22.95 +/- 5.52   0.170% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.15 +/- 4.47   1.073% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.19 +/- 3.84   0.630% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.21 +/- 4.04   0.026% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.82 +/- 3.01   0.158% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.99 +/- 2.53   0.051% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.07 +/- 2.40   0.175% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  16.69 +/- 4.19   0.220% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.57 +/- 3.47   0.117% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  21.05 +/- 1.30   0.062% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  15.86 +/- 3.24   0.230% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  14.85 +/- 2.48   0.246% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.44 +/- 3.12   0.130% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  21.46 +/- 6.39   0.098% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.53 +/- 2.98   0.151% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.67 +/- 2.20   0.157% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  17.12 +/- 3.32   0.170% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.29 +/- 3.22   0.075% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.45 +/- 4.72   0.111% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.93 +/- 1.94   0.080% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.86 +/- 4.90   0.023% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.7:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.03  95.745% * 97.1326% (1.00  10.0 10.00   4.00 159.77) =  99.971%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.95 +/- 1.63   2.343% *  0.6672% (0.69   1.0 10.00   0.02   1.40) =   0.017%
        T QE    LYS+  38 - QD    LYS+ 102  13.80 +/- 4.86   1.034% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T QE    LYS+  38 - QD    LYS+  65  18.21 +/- 2.64   0.257% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - QD    LYS+  65  15.90 +/- 1.68   0.240% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  20.94 +/- 3.04   0.151% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  23.27 +/- 2.49   0.085% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  22.96 +/- 3.17   0.098% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  28.46 +/- 3.72   0.047% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 159.5:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.53 +/- 0.36  71.638% * 98.6090% (1.00 10.00   5.05 159.77) =  99.850%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.41 +/- 1.50  14.048% *  0.6725% (0.68 10.00   0.02   1.40) =   0.134%  kept
        T HA    LYS+ 102 - QE    LYS+  38  13.99 +/- 4.69   2.792% *  0.2257% (0.23 10.00   0.02   0.02) =   0.009%
          HA    CYS   21 - QE    LYS+ 102  20.69 +/- 4.17   3.277% *  0.0824% (0.84  1.00   0.02   0.02) =   0.004%
          HA    CYS   21 - QE    LYS+  99  17.35 +/- 2.50   0.869% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QE    LYS+  99  25.35 +/- 4.45   0.726% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.40 +/- 4.32   0.947% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.23 +/- 2.75   0.815% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.57 +/- 1.77   0.475% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.98 +/- 3.65   1.081% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  27.48 +/- 3.54   0.243% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.52 +/- 3.35   0.291% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.13 +/- 2.29   0.624% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.13 +/- 1.82   0.725% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  28.34 +/- 5.32   0.304% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  18.23 +/- 2.60   0.654% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  27.07 +/- 4.74   0.266% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.08 +/- 3.04   0.225% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.988, support = 4.69, residual support = 157.1:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.75 +/- 0.52  58.770% * 80.4693% (1.00 10.00   4.75 159.77) =  98.220%  kept
        T HB    VAL   41 - QE    LYS+  99   8.74 +/- 3.27   4.222% * 11.4315% (0.33 10.00   0.86   0.02) =   1.002%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.67 +/- 1.10   4.959% *  5.4254% (0.34  1.00   3.95  23.47) =   0.559%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.42 +/- 1.77  13.756% *  0.5488% (0.68 10.00   0.02   1.40) =   0.157%  kept
          HG12  ILE  103 - QE    LYS+  99   8.93 +/- 0.91   2.151% *  0.7842% (0.23  1.00   0.84   0.48) =   0.035%
        T QB    LYS+ 102 - QE    LYS+  38  12.92 +/- 4.55   2.585% *  0.1842% (0.23 10.00   0.02   0.02) =   0.010%
        T HB    VAL   41 - QE    LYS+ 102  12.98 +/- 3.32   0.923% *  0.3917% (0.49 10.00   0.02   0.02) =   0.008%
          HB2   LEU   71 - QE    LYS+  99  10.48 +/- 4.86   2.606% *  0.0530% (0.66  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QE    LYS+  38  10.74 +/- 1.37   1.398% *  0.0897% (0.11 10.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QE    LYS+  38  10.49 +/- 2.07   1.567% *  0.0178% (0.22  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  14.82 +/- 1.75   0.497% *  0.0538% (0.67  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+ 102  17.48 +/- 3.39   0.336% *  0.0777% (0.97  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  99  15.04 +/- 3.04   0.643% *  0.0377% (0.47  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  99  15.78 +/- 4.45   0.654% *  0.0267% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  19.80 +/- 2.65   0.194% *  0.0789% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.26 +/- 4.96   0.299% *  0.0392% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.24 +/- 1.66   0.153% *  0.0743% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  15.54 +/- 3.35   1.239% *  0.0090% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  20.69 +/- 2.14   0.183% *  0.0553% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.76 +/- 1.37   0.177% *  0.0507% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  17.25 +/- 2.65   0.288% *  0.0181% (0.22  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.89 +/- 3.21   0.749% *  0.0063% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.98 +/- 2.95   0.370% *  0.0127% (0.16  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  18.63 +/- 5.95   0.513% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  23.30 +/- 5.18   0.141% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  25.43 +/- 2.65   0.089% *  0.0170% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.28 +/- 3.73   0.136% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  26.27 +/- 3.42   0.085% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  23.52 +/- 6.12   0.168% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  28.02 +/- 5.56   0.149% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 4.39, residual support = 158.5:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   2.98 +/- 0.51  50.752% * 95.4746% (1.00  10.0 10.00   4.42 159.77) =  99.127%  kept
          HG    LEU   40 - QE    LYS+  99   7.07 +/- 5.01  15.815% *  2.4770% (0.55   1.0  1.00   0.95   9.48) =   0.801%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.97 +/- 1.76   3.618% *  0.6511% (0.68   1.0 10.00   0.02   1.40) =   0.048%
        T HG2   LYS+ 102 - QE    LYS+  38  14.47 +/- 5.43   1.493% *  0.2185% (0.23   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   61 - QE    LYS+  99  13.29 +/- 3.21   2.146% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QE    LYS+  99  12.56 +/- 2.16   1.133% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  99  13.20 +/- 4.56   1.509% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  16.11 +/- 2.75   0.677% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  38  14.92 +/- 3.50   3.581% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  38   9.74 +/- 1.87   3.010% *  0.0175% (0.18   1.0  1.00   0.02   0.76) =   0.001%
          HG    LEU   40 - QE    LYS+ 102  14.15 +/- 3.48   0.665% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  99  13.40 +/- 4.58   1.114% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+  38  15.53 +/- 4.28   3.426% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  99  15.43 +/- 3.31   0.577% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  38  15.08 +/- 3.27   1.740% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+ 102  17.90 +/- 3.05   0.423% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  20.69 +/- 2.99   0.221% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  21.05 +/- 2.42   0.201% *  0.0828% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  19.73 +/- 2.68   0.228% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  18.18 +/- 2.38   0.275% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  15.12 +/- 4.89   0.865% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  20.14 +/- 2.72   0.207% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  15.18 +/- 2.78   0.806% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  18.05 +/- 5.02   0.545% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.65 +/- 1.59   0.563% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  17.30 +/- 2.84   0.576% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.83 +/- 1.86   0.326% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.33 +/- 4.32   0.294% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.45 +/- 3.50   0.280% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  14.51 +/- 3.48   1.106% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.57 +/- 2.03   0.290% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  21.36 +/- 3.00   0.197% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  20.48 +/- 3.36   0.205% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  18.72 +/- 2.59   0.249% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  23.54 +/- 2.57   0.143% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  20.10 +/- 4.80   0.300% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.28 +/- 2.54   0.167% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  23.98 +/- 3.58   0.128% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  23.67 +/- 3.06   0.147% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 159.1:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.40 +/- 0.35  67.345% * 87.1621% (1.00  10.0 10.00   4.00 159.77) =  99.509%  kept
          QB    LEU   98 - QE    LYS+  99   6.65 +/- 0.65   3.978% *  4.2675% (0.23   1.0  1.00   4.21  17.74) =   0.288%  kept
          HG    LEU   98 - QE    LYS+  99   7.32 +/- 1.10   3.460% *  2.1413% (0.19   1.0  1.00   2.59  17.74) =   0.126%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   9.53 +/- 1.82   2.061% *  0.5944% (0.68   1.0 10.00   0.02   1.40) =   0.021%
        T HG3   LYS+ 106 - QE    LYS+ 102  10.01 +/- 2.06   1.245% *  0.8245% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+ 106 - QE    LYS+  99  11.51 +/- 1.15   0.764% *  0.5623% (0.65   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QE    LYS+  99  12.97 +/- 3.05   0.698% *  0.5623% (0.65   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QE    LYS+ 102  17.73 +/- 4.07   0.319% *  0.8245% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QE    LYS+  38  10.73 +/- 1.07   1.010% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - QE    LYS+  38  15.05 +/- 5.22   0.866% *  0.1995% (0.23   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QE    LYS+  99   9.13 +/- 3.16   2.884% *  0.0583% (0.67   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  99  17.63 +/- 1.80   0.228% *  0.5827% (0.67   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QE    LYS+ 102   6.95 +/- 0.90   3.782% *  0.0297% (0.34   1.0  1.00   0.02   1.75) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  23.20 +/- 2.91   0.105% *  0.8544% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   8.27 +/- 1.32   2.085% *  0.0242% (0.28   1.0  1.00   0.02   1.75) =   0.001%
        T HG3   LYS+  65 - QE    LYS+  38  20.06 +/- 3.12   0.215% *  0.1956% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  18.75 +/- 2.97   0.209% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  14.49 +/- 2.48   0.386% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+ 102  17.04 +/- 3.09   0.352% *  0.0870% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  13.53 +/- 2.24   0.496% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  12.89 +/- 1.89   0.611% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  18.37 +/- 4.88   0.308% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  16.06 +/- 3.19   0.309% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.34 +/- 2.97   0.166% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  16.60 +/- 7.07   0.767% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  11.63 +/- 2.57   1.267% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.14 +/- 5.38   0.155% *  0.0529% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.60 +/- 2.69   0.083% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.32 +/- 3.74   0.535% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  15.62 +/- 1.99   0.314% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.02 +/- 3.22   0.995% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  17.87 +/- 2.12   0.212% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.43 +/- 1.58   0.128% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.32 +/- 1.40   0.176% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  21.55 +/- 5.97   0.169% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.41 +/- 2.51   0.292% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.07 +/- 2.60   0.158% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  26.03 +/- 3.74   0.080% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  20.59 +/- 6.99   0.349% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.22 +/- 2.21   0.125% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  23.75 +/- 2.84   0.096% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  18.12 +/- 2.78   0.215% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.788, support = 4.01, residual support = 169.7:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.03  29.718% * 72.2175% (1.00  10.0 10.00   4.00 159.77) =  74.483%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.04  30.225% * 13.2369% (0.18  10.0  1.00   3.74 220.08) =  13.885%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.03  30.477% * 10.9650% (0.15  10.0 10.00   4.39 173.76) =  11.598%  kept
        T QD    LYS+ 102 - QE    LYS+  99   8.95 +/- 1.63   0.737% *  0.4925% (0.68   1.0 10.00   0.02   1.40) =   0.013%
        T QD    LYS+  99 - QE    LYS+  38   9.37 +/- 4.90   4.080% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 106 - QE    LYS+ 102   9.23 +/- 2.28   0.626% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QE    LYS+ 102   9.15 +/- 1.37   0.482% *  0.1608% (0.22   1.0 10.00   0.02   1.40) =   0.003%
        T QD    LYS+ 102 - QE    LYS+  38  13.80 +/- 4.86   0.316% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - QE    LYS+  99   8.93 +/- 5.08   1.174% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - QE    LYS+  99  11.47 +/- 1.40   0.229% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QE    LYS+ 102  14.06 +/- 5.41   0.391% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  15.90 +/- 1.68   0.074% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  20.94 +/- 3.04   0.046% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  23.27 +/- 2.49   0.026% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  22.96 +/- 3.17   0.030% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  18.21 +/- 2.64   0.076% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  14.96 +/- 7.36   0.241% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  18.46 +/- 6.85   0.098% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.12 +/- 3.08   0.135% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  18.14 +/- 4.25   0.077% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  19.32 +/- 7.55   0.082% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.58 +/- 2.03   0.143% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.66 +/- 2.68   0.061% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  23.14 +/- 6.04   0.036% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.78 +/- 1.86   0.029% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  28.46 +/- 3.72   0.014% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  19.43 +/- 3.32   0.051% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.06 +/- 1.50   0.031% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.39 +/- 2.09   0.031% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.68 +/- 1.31   0.028% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  23.68 +/- 6.69   0.038% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.64 +/- 1.57   0.079% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  21.19 +/- 6.95   0.051% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  25.57 +/- 2.85   0.019% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  23.19 +/- 3.57   0.027% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  25.98 +/- 2.44   0.017% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.02, 3.02, 42.50 ppm):
    3 diagonal assignments:
    *     QE    LYS+ 102 - QE    LYS+ 102  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.21)  kept
 
    Peak 1250 (4.28, 4.28, 62.30 ppm):
    2 diagonal assignments:
    *     HA    ILE  103 - HA    ILE  103  (1.00)  kept
          HA    THR   39 - HA    THR   39  (0.24)  kept
 
    Peak 1251 (1.86, 4.28, 62.30 ppm):
    26 chemical-shift based assignments, quality = 0.751, support = 5.75, residual support = 138.8:
    * O T HB    ILE  103 - HA    ILE  103   2.98 +/- 0.03  26.285% * 81.2581% (1.00  10.0 10.00   5.66 139.10) =  68.955%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.25 +/- 0.20  59.243% * 16.0809% (0.20  10.0 10.00   5.98 139.10) =  30.757%  kept
          HB3   LYS+  38 - HA    THR   39   4.90 +/- 0.37   6.018% *  1.3181% (0.08   1.0  1.00   3.94  23.85) =   0.256%  kept
          QB    LYS+ 106 - HA    ILE  103   6.86 +/- 0.65   2.278% *  0.2856% (0.80   1.0  1.00   0.09   0.02) =   0.021%
          HB3   ASP- 105 - HA    ILE  103   7.14 +/- 0.56   2.001% *  0.0805% (0.99   1.0  1.00   0.02   3.05) =   0.005%
        T HB    ILE  103 - HA    THR   39  16.54 +/- 3.27   0.179% *  0.2685% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    THR   39   9.39 +/- 0.91   0.989% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    THR   39  12.50 +/- 2.63   0.683% *  0.0268% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  15.85 +/- 2.58   0.217% *  0.0769% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  19.08 +/- 3.40   0.124% *  0.0811% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.76 +/- 3.08   0.127% *  0.0679% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  19.24 +/- 2.29   0.108% *  0.0729% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.51 +/- 3.01   0.078% *  0.0811% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  15.24 +/- 3.95   0.267% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  16.48 +/- 3.13   0.179% *  0.0266% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  20.79 +/- 5.57   0.133% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.50 +/- 2.30   0.174% *  0.0215% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  21.29 +/- 4.00   0.098% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.92 +/- 3.66   0.086% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  14.49 +/- 3.15   0.294% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  26.47 +/- 3.44   0.049% *  0.0268% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  22.68 +/- 5.69   0.109% *  0.0110% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.03 +/- 4.71   0.101% *  0.0110% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.50 +/- 2.09   0.050% *  0.0224% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.75 +/- 3.55   0.093% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.08 +/- 1.83   0.038% *  0.0241% (0.30   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.876, support = 5.41, residual support = 138.3:
    * O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.12  43.469% * 65.6999% (1.00  10.0 10.00   5.58 139.10) =  77.713%  kept
        T QD1   ILE  103 - HA    ILE  103   3.26 +/- 0.54  26.933% * 29.4553% (0.45   1.0 10.00   4.88 139.10) =  21.587%  kept
          QD2   LEU   40 - HA    THR   39   5.49 +/- 0.88   5.226% *  3.8832% (0.32   1.0  1.00   3.71  24.91) =   0.552%  kept
          QD2   LEU   71 - HA    THR   39   5.50 +/- 1.55  15.742% *  0.3150% (0.19   1.0  1.00   0.51   0.17) =   0.135%  kept
          QD2   LEU   40 - HA    ILE  103   7.80 +/- 3.69   3.664% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.006%
        T QG2   ILE  103 - HA    THR   39  13.54 +/- 2.35   0.418% *  0.2171% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   ILE  103 - HA    THR   39  13.38 +/- 2.45   0.451% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  13.33 +/- 2.48   0.542% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39   9.46 +/- 2.02   1.522% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  13.17 +/- 2.39   0.432% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.07 +/- 2.05   0.155% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.32 +/- 2.12   0.364% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  16.15 +/- 4.39   0.300% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.51 +/- 2.10   0.222% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  15.55 +/- 1.59   0.234% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.55 +/- 4.00   0.327% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.716, support = 5.08, residual support = 138.5:
    *   T QD1   ILE  103 - HA    ILE  103   3.26 +/- 0.54  27.095% * 77.1921% (0.92   1.0 10.00   4.88 139.10) =  69.321%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.12  43.731% * 20.8511% (0.25  10.0 10.00   5.58 139.10) =  30.222%  kept
          QD2   LEU   71 - HA    THR   39   5.50 +/- 1.55  15.837% *  0.5915% (0.28   1.0  1.00   0.51   0.17) =   0.310%  kept
          QD2   LEU   40 - HA    THR   39   5.49 +/- 0.88   5.257% *  0.7902% (0.05   1.0  1.00   3.71  24.91) =   0.138%  kept
        T QD1   ILE  103 - HA    THR   39  13.38 +/- 2.45   0.454% *  0.2550% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    ILE  103   7.80 +/- 3.69   3.686% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  13.17 +/- 2.39   0.434% *  0.0698% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE  103 - HA    THR   39  13.54 +/- 2.35   0.420% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  16.15 +/- 4.39   0.302% *  0.0834% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    THR   39  17.55 +/- 4.00   0.328% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  13.33 +/- 2.48   0.545% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.46 +/- 2.02   1.531% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.07 +/- 2.05   0.155% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.51 +/- 2.10   0.223% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 139.1:
    * O T HA    ILE  103 - HB    ILE  103   2.98 +/- 0.03  91.970% * 98.6567% (1.00  10.0 10.00   5.66 139.10) =  99.990%  kept
        T HA    THR   39 - HB    ILE  103  16.54 +/- 3.27   0.671% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          HA    ASP-  44 - HB    ILE  103  13.04 +/- 1.55   1.418% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB    ILE  103  15.55 +/- 5.21   2.888% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  17.06 +/- 4.06   0.804% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB    ILE  103  20.54 +/- 3.99   0.658% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  19.16 +/- 3.29   0.485% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HB    ILE  103  31.67 +/- 6.70   0.154% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.62 +/- 2.97   0.176% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  22.15 +/- 2.74   0.272% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.23 +/- 4.92   0.319% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  29.69 +/- 6.05   0.186% *  0.0305% (0.31   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 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 = 0.845, support = 5.06, residual support = 139.1:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  52.517% * 68.8462% (1.00  10.0 10.00   5.19 139.10) =  71.830%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.26 +/- 0.31  45.936% * 30.8659% (0.45  10.0 10.00   4.70 139.10) =  28.168%  kept
          QD2   LEU   40 - HB    ILE  103   9.96 +/- 3.38   0.758% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB    ILE  103  15.00 +/- 2.34   0.187% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.11 +/- 2.27   0.170% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.40 +/- 2.57   0.201% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.36 +/- 2.35   0.082% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  17.12 +/- 4.19   0.150% *  0.0191% (0.28   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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.82, residual support = 139.1:
    * O T QD1   ILE  103 - HB    ILE  103   2.26 +/- 0.31  46.028% * 78.5650% (0.92  10.0 10.00   4.70 139.10) =  76.404%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  52.622% * 21.2220% (0.25  10.0 10.00   5.19 139.10) =  23.595%  kept
          QG2   ILE  119 - HB    ILE  103  17.12 +/- 4.19   0.150% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.11 +/- 2.27   0.171% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103   9.96 +/- 3.38   0.759% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  15.00 +/- 2.34   0.187% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.36 +/- 2.35   0.082% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 139.1:
    * O T HA    ILE  103 - QG2   ILE  103   2.65 +/- 0.12  89.958% * 98.6567% (1.00  10.0 10.00   5.58 139.10) =  99.986%  kept
        T HA    THR   39 - QG2   ILE  103  13.54 +/- 2.35   0.824% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - QG2   ILE  103   9.47 +/- 1.28   2.478% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - QG2   ILE  103  13.99 +/- 3.23   0.958% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  16.63 +/- 3.43   1.169% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG2   ILE  103  13.10 +/- 4.10   2.537% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QG2   ILE  103  15.04 +/- 2.64   0.699% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   ILE  103  20.66 +/- 2.41   0.256% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.34 +/- 5.14   0.164% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.77 +/- 2.31   0.454% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  20.80 +/- 3.67   0.306% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  24.64 +/- 4.62   0.198% *  0.0305% (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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.932, support = 5.19, residual support = 138.2:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.02  54.541% * 79.0341% (1.00  10.0 10.00   5.19 139.10) =  90.926%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.80 +/- 0.28  25.534% * 15.6408% (0.20  10.0 10.00   5.47 139.10) =   8.424%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.78 +/- 0.42   5.048% *  4.0790% (0.99   1.0  1.00   1.04   3.05) =   0.434%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.87 +/- 1.06  13.303% *  0.7624% (0.80   1.0  1.00   0.24   0.02) =   0.214%  kept
          QB    LYS+  81 - QG2   ILE  103  15.71 +/- 3.04   0.275% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.71 +/- 2.26   0.227% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.55 +/- 2.01   0.202% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.59 +/- 2.85   0.157% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.33 +/- 2.35   0.073% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  16.43 +/- 4.36   0.177% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  16.66 +/- 3.38   0.148% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  14.77 +/- 2.69   0.211% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  18.57 +/- 2.88   0.103% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.88, residual support = 139.0:
    *   T HA    ILE  103 - QD1   ILE  103   3.26 +/- 0.54  80.029% * 97.6421% (0.92 10.00   4.88 139.10) =  99.897%  kept
          HA    ASP-  86 - QD1   ILE  103  11.75 +/- 4.12   5.506% *  1.0555% (0.26  1.00   0.78   0.02) =   0.074%
        T HA    THR   39 - QD1   ILE  103  13.38 +/- 2.45   1.708% *  0.7090% (0.67 10.00   0.02   0.02) =   0.015%
          HA    ASP-  44 - QD1   ILE  103   9.98 +/- 1.75   4.890% *  0.0924% (0.87  1.00   0.02   0.02) =   0.006%
          HA    SER   85 - QD1   ILE  103  13.06 +/- 3.15   1.961% *  0.0957% (0.90  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QD1   ILE  103  15.77 +/- 2.75   1.806% *  0.0782% (0.74  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QD1   ILE  103  14.87 +/- 2.76   1.465% *  0.0957% (0.90  1.00   0.02   0.02) =   0.002%
          HA    MET   11 - QD1   ILE  103  25.53 +/- 5.85   0.372% *  0.0901% (0.85  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.39 +/- 2.74   0.337% *  0.0592% (0.56  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  20.19 +/- 4.42   0.837% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.98 +/- 2.63   0.601% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  23.86 +/- 5.37   0.488% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.792, support = 4.69, residual support = 139.1:
    * O T HB    ILE  103 - QD1   ILE  103   2.26 +/- 0.31  41.714% * 82.9317% (0.92  10.0 10.00   4.70 139.10) =  82.276%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  45.355% * 16.4121% (0.18  10.0 10.00   4.62 139.10) =  17.703%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.47 +/- 1.83   9.845% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.016%
          HB3   ASP- 105 - QD1   ILE  103   7.68 +/- 1.14   1.730% *  0.0822% (0.91   1.0  1.00   0.02   3.05) =   0.003%
          QB    LYS+  33 - QD1   ILE  103  13.76 +/- 2.69   0.276% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   ILE  103  14.83 +/- 2.57   0.198% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  14.37 +/- 2.19   0.180% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.27 +/- 2.71   0.128% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.39 +/- 2.38   0.061% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  14.42 +/- 3.03   0.219% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.68 +/- 4.33   0.104% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  18.16 +/- 3.51   0.104% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  19.59 +/- 3.38   0.087% *  0.0341% (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 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 216.5:
    * O T HB2   LEU  104 - HA    LEU  104   2.98 +/- 0.07  95.569% * 99.7433% (0.87  10.0 10.00   5.98 216.46) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.69 +/- 0.73   2.216% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - HA    LEU  104  15.23 +/- 3.94   1.134% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  20.92 +/- 2.87   0.404% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  17.74 +/- 3.55   0.676% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.3, residual support = 216.5:
    * O T HB3   LEU  104 - HA    LEU  104   2.34 +/- 0.08  96.901% * 99.4463% (0.76  10.0 10.00   5.31 216.46) =  99.996%  kept
          QG1   VAL   70 - HA    LEU  104  13.03 +/- 3.44   1.128% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU  104  15.92 +/- 5.58   0.642% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    LEU  104  14.86 +/- 2.83   0.486% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.01 +/- 3.15   0.530% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  18.38 +/- 3.62   0.313% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 216.4:
    * O T HG    LEU  104 - HA    LEU  104   3.09 +/- 0.50  89.012% * 99.5259% (1.00  10.0 10.00   5.72 216.46) =  99.992%  kept
          HB3   LYS+ 121 - HA    LEU  104  14.44 +/- 9.17   4.303% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HA    LEU  104  14.89 +/- 9.34   3.782% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  19.16 +/- 3.73   0.648% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  21.04 +/- 2.28   0.437% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  20.35 +/- 3.06   0.422% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.79 +/- 3.04   0.454% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.59 +/- 2.67   0.624% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.94 +/- 2.23   0.319% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.963, support = 5.3, residual support = 216.4:
    *   T QD1   LEU  104 - HA    LEU  104   3.65 +/- 0.45  87.521% * 98.8828% (0.96 10.00   5.31 216.46) =  99.967%  kept
        T QD1   LEU   73 - HA    LEU  104  13.42 +/- 2.90   3.128% *  0.4212% (0.41 10.00   0.02   0.02) =   0.015%
        T QD1   LEU   63 - HA    LEU  104  14.99 +/- 3.01   2.490% *  0.4212% (0.41 10.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - HA    LEU  104  15.85 +/- 3.82   2.021% *  0.0889% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HA    LEU  104  14.98 +/- 3.11   1.639% *  0.0783% (0.76  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  104  18.28 +/- 3.78   1.170% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  14.64 +/- 2.41   2.031% *  0.0255% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 5.73, residual support = 209.7:
    *   T QD2   LEU  104 - HA    LEU  104   2.93 +/- 0.53  81.978% * 78.0512% (1.00 10.00   5.86 216.46) =  96.743%  kept
        T QD1   LEU   98 - HA    LEU  104   6.51 +/- 0.51  10.117% * 21.1969% (0.31 10.00   1.76   9.79) =   3.243%  kept
        T QG1   VAL   41 - HA    LEU  104  10.48 +/- 2.26   2.623% *  0.1545% (0.20 10.00   0.02   0.02) =   0.006%
        T QG2   VAL   18 - HA    LEU  104  16.71 +/- 2.94   0.803% *  0.4419% (0.56 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HA    LEU  104  10.16 +/- 1.62   3.002% *  0.0266% (0.34  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  16.48 +/- 1.95   0.888% *  0.0536% (0.69  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU  104  17.36 +/- 2.33   0.587% *  0.0753% (0.96  1.00   0.02   0.02) =   0.001%
    Distance limit 2.90 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 216.5:
    * O T HA    LEU  104 - HB2   LEU  104   2.98 +/- 0.07  97.589% * 99.7454% (0.87  10.0 10.00   5.98 216.46) =  99.999%  kept
          HA    TRP   87 - HB2   LEU  104  16.11 +/- 4.87   1.271% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB2   LEU  104  19.58 +/- 4.61   0.590% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.51 +/- 4.22   0.347% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  28.30 +/- 4.91   0.203% *  0.0647% (0.56   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 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 216.5:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  97.573% * 99.4463% (0.66  10.0 10.00   5.40 216.46) =  99.997%  kept
          QG1   VAL   70 - HB2   LEU  104  11.03 +/- 3.69   1.066% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  14.32 +/- 5.68   0.434% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  104  14.31 +/- 3.18   0.395% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  13.29 +/- 2.94   0.305% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  15.99 +/- 3.82   0.228% *  0.0535% (0.36   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 216.4:
    * O T HG    LEU  104 - HB2   LEU  104   2.77 +/- 0.26  79.358% * 99.5259% (0.87  10.0 10.00   5.95 216.46) =  99.982%  kept
          HB3   LYS+ 121 - HB2   LEU  104  12.81 +/- 9.13  10.603% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.013%
          HD2   LYS+ 121 - HB2   LEU  104  13.09 +/- 9.31   7.537% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HB2   LEU  104  18.03 +/- 3.67   0.567% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB2   LEU  104  18.26 +/- 3.24   0.412% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  19.12 +/- 2.24   0.293% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  18.47 +/- 3.00   0.440% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.39 +/- 2.72   0.522% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  19.67 +/- 2.07   0.266% *  0.0248% (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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.4, residual support = 216.4:
    * O T QD1   LEU  104 - HB2   LEU  104   2.45 +/- 0.32  94.345% * 98.8828% (0.84  10.0 10.00   5.40 216.46) =  99.985%  kept
        T QD1   LEU   73 - HB2   LEU  104  12.07 +/- 2.93   1.633% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - HB2   LEU  104  13.03 +/- 3.14   1.187% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HB2   LEU  104  13.43 +/- 3.10   0.995% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  15.42 +/- 3.49   0.748% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  17.53 +/- 3.37   0.412% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.00 +/- 2.26   0.680% *  0.0255% (0.22   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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 6.16, residual support = 215.3:
    * O T QD2   LEU  104 - HB2   LEU  104   2.65 +/- 0.46  80.902% * 94.0051% (0.87  10.0 10.00   6.18 216.46) =  99.429%  kept
          QD1   LEU   98 - HB2   LEU  104   6.33 +/- 0.71   8.232% *  5.0893% (0.27   1.0  1.00   3.51   9.79) =   0.548%  kept
        T QG2   VAL   18 - HB2   LEU  104  14.96 +/- 3.06   1.647% *  0.5322% (0.49   1.0 10.00   0.02   0.02) =   0.011%
        T QG1   VAL   41 - HB2   LEU  104   9.29 +/- 2.16   3.669% *  0.1860% (0.17   1.0 10.00   0.02   0.02) =   0.009%
          QG1   VAL   43 - HB2   LEU  104   9.08 +/- 1.54   4.439% *  0.0321% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB2   LEU  104  15.92 +/- 2.21   0.537% *  0.0907% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  15.00 +/- 1.83   0.573% *  0.0646% (0.60   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 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 216.5:
    * O T HA    LEU  104 - HB3   LEU  104   2.34 +/- 0.08  98.749% * 99.7454% (0.76  10.0 10.00   5.31 216.46) =  99.999%  kept
          HA    TRP   87 - HB3   LEU  104  17.15 +/- 5.14   0.704% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.66 +/- 4.87   0.278% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.31 +/- 4.50   0.170% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  29.03 +/- 5.10   0.099% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 216.5:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.926% * 99.7433% (0.66  10.0 10.00   5.40 216.46) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.11 +/- 1.03   0.443% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  14.35 +/- 4.19   0.330% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.35 +/- 3.06   0.091% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  16.60 +/- 3.96   0.211% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 216.4:
    * O T HG    LEU  104 - HB3   LEU  104   2.69 +/- 0.22  84.664% * 99.5259% (0.76  10.0 10.00   5.23 216.46) =  99.987%  kept
          HB3   LYS+ 121 - HB3   LEU  104  13.25 +/- 9.47   8.337% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.010%
          HD2   LYS+ 121 - HB3   LEU  104  13.66 +/- 9.61   4.949% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HB3   LEU  104  18.99 +/- 3.69   0.394% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.61 +/- 2.37   0.277% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  19.24 +/- 3.40   0.348% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  19.24 +/- 3.43   0.410% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.32 +/- 2.91   0.409% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  21.02 +/- 2.19   0.211% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 216.4:
    * O T QD1   LEU  104 - HB3   LEU  104   2.43 +/- 0.37  95.050% * 98.8828% (0.74  10.0 10.00   5.00 216.46) =  99.986%  kept
        T QD1   LEU   73 - HB3   LEU  104  13.23 +/- 2.99   1.711% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   63 - HB3   LEU  104  14.02 +/- 3.25   1.169% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HB3   LEU  104  14.32 +/- 3.24   0.682% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU  104  16.50 +/- 3.60   0.450% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.69 +/- 3.55   0.354% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  15.13 +/- 2.38   0.584% *  0.0255% (0.19   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.4, residual support = 216.1:
    * O T QD2   LEU  104 - HB3   LEU  104   2.78 +/- 0.47  86.955% * 96.9775% (0.76  10.0 10.00   5.41 216.46) =  99.830%  kept
          QD1   LEU   98 - HB3   LEU  104   7.22 +/- 0.62   6.377% *  2.0883% (0.24   1.0  1.00   1.40   9.79) =   0.158%  kept
        T QG1   VAL   41 - HB3   LEU  104  10.13 +/- 2.23   2.316% *  0.1919% (0.15   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   VAL   18 - HB3   LEU  104  16.01 +/- 3.09   0.689% *  0.5490% (0.43   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HB3   LEU  104  10.34 +/- 1.57   2.387% *  0.0331% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB3   LEU  104  16.81 +/- 2.45   0.577% *  0.0936% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  16.25 +/- 1.81   0.699% *  0.0666% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 216.5:
    * O T HA    LEU  104 - HG    LEU  104   3.09 +/- 0.50  97.191% * 99.7454% (1.00  10.0 10.00   5.72 216.46) =  99.998%  kept
          HA    TRP   87 - HG    LEU  104  16.75 +/- 4.84   1.241% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HG    LEU  104  19.98 +/- 4.60   0.606% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.08 +/- 4.55   0.516% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.69 +/- 5.19   0.446% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 216.5:
    * O T HB2   LEU  104 - HG    LEU  104   2.77 +/- 0.26  96.509% * 99.7433% (0.87  10.0 10.00   5.95 216.46) =  99.997%  kept
          QG2   VAL  108 - HG    LEU  104  11.64 +/- 0.99   1.560% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HG    LEU  104  15.09 +/- 4.03   1.015% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HG    LEU  104  21.45 +/- 2.52   0.289% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  16.67 +/- 3.59   0.626% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 216.4:
    * O T HB3   LEU  104 - HG    LEU  104   2.69 +/- 0.22  92.321% * 99.4463% (0.76  10.0 10.00   5.23 216.46) =  99.990%  kept
          QG1   VAL   70 - HG    LEU  104  11.61 +/- 3.60   3.619% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HG    LEU  104  12.89 +/- 3.07   1.157% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  14.86 +/- 3.25   1.179% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU  104  15.70 +/- 5.89   1.012% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  17.30 +/- 3.68   0.711% *  0.0535% (0.41   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 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 = 216.4:
    * O T QD1   LEU  104 - HG    LEU  104   2.10 +/- 0.02  97.357% * 98.8828% (0.97  10.0 10.00   5.23 216.46) =  99.993%  kept
        T QD1   LEU   73 - HG    LEU  104  12.24 +/- 2.65   0.899% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   63 - HG    LEU  104  14.10 +/- 2.90   0.545% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG    LEU  104  15.89 +/- 3.22   0.350% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  15.15 +/- 2.94   0.328% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  18.11 +/- 3.24   0.208% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  15.06 +/- 2.12   0.314% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.78, residual support = 215.8:
    * O T QD2   LEU  104 - HG    LEU  104   2.10 +/- 0.01  88.622% * 94.9936% (1.00  10.0 10.00   5.79 216.46) =  99.680%  kept
          QD1   LEU   98 - HG    LEU  104   5.76 +/- 1.08   6.428% *  4.0913% (0.31   1.0  1.00   2.79   9.79) =   0.311%  kept
        T QG1   VAL   41 - HG    LEU  104   8.56 +/- 2.51   2.235% *  0.1880% (0.20   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   VAL   18 - HG    LEU  104  15.55 +/- 2.98   0.395% *  0.5378% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HG    LEU  104   9.55 +/- 1.75   1.789% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HG    LEU  104  15.77 +/- 2.22   0.258% *  0.0917% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  16.14 +/- 1.95   0.272% *  0.0653% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 216.4:
    *   T HA    LEU  104 - QD1   LEU  104   3.65 +/- 0.45  76.642% * 99.2875% (0.96 10.00   5.31 216.46) =  99.982%  kept
        T HA    LEU  104 - QD1   LEU   73  13.42 +/- 2.90   2.737% *  0.1829% (0.18 10.00   0.02   0.02) =   0.007%
        T HA    LEU  104 - QD1   LEU   63  14.99 +/- 3.01   2.182% *  0.1829% (0.18 10.00   0.02   0.02) =   0.005%
          HA    TRP   87 - QD1   LEU  104  14.72 +/- 3.94   2.337% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU  104  18.66 +/- 3.53   1.240% *  0.0760% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  17.43 +/- 3.64   1.158% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU  104  22.53 +/- 4.02   0.507% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  13.28 +/- 2.80   2.270% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.66 +/- 3.73   2.235% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  14.17 +/- 2.89   1.971% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.67 +/- 2.73   1.748% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  13.44 +/- 2.66   2.099% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.48 +/- 3.54   0.980% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  19.18 +/- 2.84   0.787% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  17.20 +/- 2.70   1.108% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.788, support = 5.35, residual support = 215.0:
    * O T HB2   LEU  104 - QD1   LEU  104   2.45 +/- 0.32  30.338% * 92.7890% (0.84  10.0 10.00   5.40 216.46) =  93.801%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  43.096% *  3.4504% (0.03  10.0 10.00   5.57 241.19) =   4.955%  kept
        T QD1   ILE  119 - QD1   LEU   63   6.76 +/- 2.64  16.214% *  2.2615% (0.10   1.0 10.00   0.41   0.02) =   1.222%  kept
        T QD1   ILE  119 - QD1   LEU  104  12.10 +/- 3.38   0.393% *  0.6056% (0.55   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LEU  104 - QD1   LEU   73  12.07 +/- 2.93   0.530% *  0.1709% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QD1   LEU   63  13.03 +/- 3.14   0.359% *  0.1709% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD1   LEU   63  11.56 +/- 4.04   5.793% *  0.0104% (0.09   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   ILE  119 - QD1   LEU   73  12.40 +/- 2.31   0.537% *  0.1115% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  13.13 +/- 3.04   0.300% *  0.1873% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104   9.97 +/- 1.30   0.519% *  0.1032% (0.93   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU   73  11.09 +/- 2.14   0.688% *  0.0345% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QD1   LEU   73  11.57 +/- 2.28   0.484% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63  11.84 +/- 2.76   0.426% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.59 +/- 2.35   0.094% *  0.0563% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  17.66 +/- 4.63   0.229% *  0.0104% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.686, support = 5.05, residual support = 217.5:
    * O T HB3   LEU  104 - QD1   LEU  104   2.43 +/- 0.37  33.106% * 86.4307% (0.74  10.0 10.00   5.00 216.46) =  92.166%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.59 +/- 0.35  27.036% *  8.5634% (0.07  10.0 10.00   5.82 241.19) =   7.457%  kept
          QG1   VAL   18 - QD1   LEU   73   6.48 +/- 2.77   7.160% *  1.3581% (0.16   1.0  1.00   1.45   0.62) =   0.313%  kept
        T HB3   LEU   63 - QD1   LEU   73  11.32 +/- 1.66   0.352% *  2.2883% (0.07   1.0 10.00   0.53   0.02) =   0.026%
          QG1   VAL   18 - QD1   LEU   63   6.90 +/- 2.38  12.849% *  0.0187% (0.16   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   70 - QD1   LEU   63   5.29 +/- 1.61   9.467% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   70 - QD1   LEU  104   8.83 +/- 3.03   1.663% *  0.1091% (0.93   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   LEU   63 - QD1   LEU  104  13.70 +/- 2.87   0.289% *  0.4649% (0.40   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - QD1   LEU  104  11.98 +/- 2.77   0.820% *  0.1014% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QD1   LEU   63  14.02 +/- 3.25   0.378% *  0.1592% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU  104  10.15 +/- 2.51   0.525% *  0.1121% (0.96   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   73  13.23 +/- 2.99   0.361% *  0.1592% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU  104  12.47 +/- 5.03   0.508% *  0.1121% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   9.07 +/- 2.66   2.002% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   8.43 +/- 1.31   1.864% *  0.0206% (0.18   1.0  1.00   0.02   1.17) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.71 +/- 1.54   0.621% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   9.24 +/- 0.92   0.575% *  0.0201% (0.17   1.0  1.00   0.02   0.74) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.44 +/- 3.27   0.423% *  0.0206% (0.18   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 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 216.4:
    * O T HG    LEU  104 - QD1   LEU  104   2.10 +/- 0.02  58.871% * 98.9901% (0.97  10.0 10.00   5.23 216.46) =  99.985%  kept
          HB3   LYS+ 121 - QD1   LEU  104  11.75 +/- 7.65   2.478% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU  104 - QD1   LEU   73  12.24 +/- 2.65   0.545% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD1   LEU  104  11.71 +/- 7.90   2.727% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   8.05 +/- 1.38   3.541% *  0.0176% (0.17   1.0  1.00   0.02  41.39) =   0.001%
        T HG    LEU  104 - QD1   LEU   63  14.10 +/- 2.90   0.330% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   6.44 +/- 1.29   3.234% *  0.0125% (0.12   1.0  1.00   0.02   7.31) =   0.001%
          HD3   LYS+  74 - QD1   LEU   63   9.27 +/- 2.65   2.285% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU   73  15.88 +/- 5.39   7.052% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QD1   LEU   73  16.61 +/- 5.14   1.528% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   5.38 +/- 2.28   7.169% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.23 +/- 2.27   0.174% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.75 +/- 2.84   0.163% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63  12.21 +/- 3.52   0.843% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  13.67 +/- 3.82   0.798% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  15.16 +/- 2.28   0.198% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.23 +/- 2.55   1.815% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.48 +/- 2.93   0.312% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   7.84 +/- 1.24   1.747% *  0.0045% (0.04   1.0  1.00   0.02   3.70) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.20 +/- 2.64   0.329% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63  11.39 +/- 3.64   1.129% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  11.93 +/- 3.43   1.344% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.70 +/- 3.50   0.217% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  12.96 +/- 1.19   0.277% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.57 +/- 1.30   0.129% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.26 +/- 1.45   0.465% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.51 +/- 2.95   0.300% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.959, support = 5.46, residual support = 214.8:
    * O T QD2   LEU  104 - QD1   LEU  104   2.04 +/- 0.05  41.832% * 91.7001% (0.97  10.0 10.00   5.49 216.46) =  99.230%  kept
          QD1   LEU   98 - QD1   LEU  104   5.47 +/- 0.88   2.688% *  5.3038% (0.30   1.0  1.00   3.75   9.79) =   0.369%  kept
        T QG2   VAL   18 - QD1   LEU   63   7.07 +/- 2.13   8.650% *  0.9051% (0.10   1.0 10.00   0.19   0.02) =   0.203%  kept
          QG1   VAL   43 - QD1   LEU   73   5.03 +/- 2.16  13.245% *  0.3574% (0.06   1.0  1.00   1.24   7.51) =   0.122%  kept
        T QG2   VAL   18 - QD1   LEU   73   6.89 +/- 2.37   4.291% *  0.3737% (0.10   1.0 10.00   0.08   0.62) =   0.041%
        T QG1   VAL   41 - QD1   LEU  104   6.97 +/- 2.18   2.223% *  0.1815% (0.19   1.0 10.00   0.02   0.02) =   0.010%
        T QG2   VAL   18 - QD1   LEU  104  12.48 +/- 2.62   0.497% *  0.5192% (0.55   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - QD1   LEU   73   5.90 +/- 1.37   4.932% *  0.0334% (0.04   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU  104 - QD1   LEU   73   9.98 +/- 2.50   0.756% *  0.1689% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - QD1   LEU  104   8.04 +/- 1.67   2.608% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU   63  10.12 +/- 2.78   4.994% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QD1   LEU   63   7.20 +/- 2.27   5.431% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - QD1   LEU   63  11.66 +/- 2.13   0.355% *  0.1689% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU   73   5.78 +/- 1.57   2.683% *  0.0163% (0.17   1.0  1.00   0.02   4.96) =   0.001%
          QD1   ILE   19 - QD1   LEU  104  12.76 +/- 2.25   0.225% *  0.0885% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   9.88 +/- 1.78   0.507% *  0.0334% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  13.28 +/- 1.67   0.202% *  0.0630% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.65 +/- 1.62   1.015% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.60 +/- 2.25   1.179% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   8.04 +/- 1.72   1.228% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  11.80 +/- 2.84   0.459% *  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 = 5.86, residual support = 216.4:
    *   T HA    LEU  104 - QD2   LEU  104   2.93 +/- 0.53  81.076% * 99.4871% (1.00 10.00   5.86 216.46) =  99.993%  kept
        T HA    LEU  104 - QG1   VAL   41  10.48 +/- 2.26   2.606% *  0.0534% (0.05 10.00   0.02   0.02) =   0.002%
        T HA    LEU  104 - QG2   VAL   18  16.71 +/- 2.94   0.794% *  0.1529% (0.15 10.00   0.02   0.02) =   0.002%
          HA    TRP   87 - QD2   LEU  104  13.86 +/- 4.46   2.007% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  16.52 +/- 4.29   1.140% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  18.85 +/- 3.88   0.751% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18   9.80 +/- 1.46   4.209% *  0.0117% (0.12  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD2   LEU  104  22.66 +/- 4.50   0.323% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.03 +/- 1.68   1.139% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  13.22 +/- 3.01   1.539% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  19.39 +/- 4.48   0.543% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  18.15 +/- 4.18   0.665% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.81 +/- 3.58   1.113% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  16.42 +/- 4.41   0.968% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  14.87 +/- 4.35   1.127% *  0.0024% (0.02  1.00   0.02   0.39) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.18, residual support = 216.4:
    * O T HB2   LEU  104 - QD2   LEU  104   2.65 +/- 0.46  71.190% * 99.4846% (0.87  10.0 10.00   6.18 216.46) =  99.989%  kept
        T HB2   LEU  104 - QG2   VAL   18  14.96 +/- 3.06   1.459% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD2   LEU  104   9.70 +/- 1.12   1.755% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QG1   VAL   41   9.29 +/- 2.16   3.157% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QD2   LEU  104  12.67 +/- 3.42   1.017% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   18  11.24 +/- 2.85   3.259% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.24 +/- 2.54  10.292% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  13.68 +/- 2.75   0.914% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  16.92 +/- 4.44   1.794% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  17.99 +/- 2.13   0.272% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  13.81 +/- 2.79   0.959% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.39 +/- 1.92   1.111% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.43 +/- 2.67   0.981% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.52 +/- 2.14   1.556% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  19.39 +/- 2.73   0.283% *  0.0032% (0.03   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 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.6, support = 5.06, residual support = 180.0:
    * O T HB3   LEU  104 - QD2   LEU  104   2.78 +/- 0.47  24.537% * 83.2913% (0.76  10.0 10.00   5.41 216.46) =  73.866%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  48.036% * 15.0194% (0.14  10.0 10.00   4.10  77.03) =  26.076%  kept
          QD1   LEU   71 - QG1   VAL   41   5.12 +/- 1.52  13.140% *  0.0505% (0.05   1.0  1.00   0.17   2.94) =   0.024%
        T QG1   VAL   18 - QD2   LEU  104  12.19 +/- 2.75   0.421% *  0.9774% (0.90   1.0 10.00   0.02   0.02) =   0.015%
        T QG1   VAL   18 - QG1   VAL   41   8.39 +/- 3.65   3.399% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   70 - QD2   LEU  104   9.33 +/- 2.55   1.097% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QD2   LEU  104  10.40 +/- 2.22   0.523% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU  104  13.26 +/- 4.76   0.425% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QG2   VAL   18   7.48 +/- 2.01   1.897% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  16.01 +/- 3.09   0.193% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG1   VAL   41  10.13 +/- 2.23   0.531% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   8.60 +/- 3.10   1.046% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL   18   8.24 +/- 2.45   1.629% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  13.00 +/- 3.47   0.613% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  14.25 +/- 2.70   0.222% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.97 +/- 1.11   1.586% *  0.0056% (0.05   1.0  1.00   0.02   2.62) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.63 +/- 4.05   0.335% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  12.02 +/- 2.33   0.371% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.79, residual support = 216.4:
    * O T HG    LEU  104 - QD2   LEU  104   2.10 +/- 0.01  57.241% * 98.8474% (1.00  10.0 10.00   5.79 216.46) =  99.963%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.29 +/- 4.48  12.173% *  0.0667% (0.04   1.0  1.00   0.35   0.02) =   0.014%
          QD    LYS+  66 - QG2   VAL   18   8.75 +/- 3.19   2.402% *  0.3183% (0.11   1.0  1.00   0.61   1.29) =   0.014%
          HB3   LYS+ 121 - QD2   LEU  104  12.57 +/- 7.52   1.418% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QG2   VAL   18   6.44 +/- 4.69   7.692% *  0.0147% (0.15   1.0  1.00   0.02   1.28) =   0.002%
        T HG    LEU  104 - QG1   VAL   41   8.56 +/- 2.51   1.460% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  104  12.59 +/- 7.74   1.341% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  15.55 +/- 2.98   0.260% *  0.1519% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QG2   VAL   18   7.58 +/- 2.34   8.529% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  16.95 +/- 2.79   0.172% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.34 +/- 2.01   0.143% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.22 +/- 2.48   1.307% *  0.0094% (0.01   1.0  1.00   0.18   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  15.84 +/- 2.39   0.171% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.47 +/- 2.28   0.225% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  10.54 +/- 1.90   0.991% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.22 +/- 2.26   0.256% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.91 +/- 2.61   1.796% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.94 +/- 2.23   0.130% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  18.28 +/- 3.54   0.164% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  16.68 +/- 2.85   0.152% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.15 +/- 1.43   0.355% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  16.22 +/- 5.75   0.298% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.72 +/- 3.39   0.215% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.43 +/- 1.47   0.256% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  15.54 +/- 6.25   0.472% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.45 +/- 2.87   0.096% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.42 +/- 2.03   0.284% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.49, residual support = 216.4:
    * O T QD1   LEU  104 - QD2   LEU  104   2.04 +/- 0.05  62.253% * 98.4528% (0.97  10.0 10.00   5.49 216.46) =  99.960%  kept
        T QD1   LEU   63 - QG2   VAL   18   7.07 +/- 2.13  12.191% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.013%
        T QD1   LEU   73 - QD2   LEU  104   9.98 +/- 2.50   1.110% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   73 - QG2   VAL   18   6.89 +/- 2.37   6.069% *  0.0644% (0.06   1.0 10.00   0.02   0.62) =   0.006%
        T QD1   LEU   63 - QD2   LEU  104  11.66 +/- 2.13   0.514% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU  104 - QG1   VAL   41   6.97 +/- 2.18   3.474% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - QG1   VAL   41   5.90 +/- 1.37   7.104% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU  104 - QG2   VAL   18  12.48 +/- 2.62   0.782% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD2   LEU  104  13.08 +/- 3.14   0.456% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  12.68 +/- 2.67   0.375% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  14.87 +/- 2.98   0.246% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.88 +/- 1.78   0.745% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  11.88 +/- 4.93   0.843% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.91 +/- 4.23   0.677% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  11.66 +/- 2.61   0.745% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  12.41 +/- 2.15   0.338% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  11.64 +/- 3.29   0.599% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  12.38 +/- 3.22   0.465% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  12.56 +/- 3.41   0.469% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.82 +/- 1.72   0.229% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  12.40 +/- 1.92   0.315% *  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 = 3.18, residual support = 42.0:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.71 +/- 0.18  89.720% * 99.5527% (0.95  10.0 10.00   3.18  42.01) =  99.993%  kept
          HB2   MET   96 - HA    ASP- 105   8.39 +/- 1.45   5.526% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HA    ASP- 105  19.43 +/- 3.72   0.965% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    ASP- 105  14.30 +/- 1.23   0.672% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP- 105  13.91 +/- 5.20   1.528% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.47 +/- 1.91   0.312% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  15.67 +/- 3.30   0.708% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  22.91 +/- 2.94   0.172% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  19.88 +/- 3.87   0.396% *  0.0184% (0.18   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 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.18, residual support = 42.0:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.71 +/- 0.18  97.309% * 99.7814% (0.95  10.0 10.00   3.18  42.01) =  99.999%  kept
          HA    LEU   80 - HB2   ASP- 105  20.70 +/- 3.98   0.763% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - HB2   ASP- 105  21.34 +/- 4.37   1.534% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  23.71 +/- 3.49   0.185% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  22.61 +/- 3.19   0.208% *  0.0374% (0.36   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 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 0.997, support = 6.27, residual support = 132.4:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.29 +/- 0.17  83.676% * 81.7465% (1.00  10.0 10.00   6.30 135.04) =  97.617%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.95 +/- 0.42   9.449% * 17.6372% (0.87   1.0  1.00   4.97  24.44) =   2.378%  kept
          HB    ILE  103 - HA    LYS+ 106   8.04 +/- 1.46   2.234% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HA    LYS+ 106  17.63 +/- 2.71   0.404% *  0.0816% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  14.87 +/- 2.00   0.398% *  0.0801% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  15.51 +/- 4.60   0.480% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.49 +/- 4.74   1.907% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.11 +/- 3.94   0.295% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  19.36 +/- 1.89   0.158% *  0.0773% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.78 +/- 1.39   0.505% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  20.29 +/- 2.68   0.145% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  20.00 +/- 2.09   0.147% *  0.0496% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.92 +/- 1.88   0.201% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 135.0:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.40 +/- 0.58  93.381% * 98.2431% (1.00  10.0 10.00   5.10 135.04) =  99.986%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.69 +/- 2.43   0.823% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  33 - HA    LYS+ 106  20.94 +/- 2.16   0.544% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HA    LYS+ 106  12.48 +/- 3.22   4.140% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  16.75 +/- 2.27   1.111% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 135.0:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.86 +/- 0.53  74.802% * 98.5750% (1.00 10.00   4.80 135.04) =  99.941%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.50 +/- 0.62   3.185% *  0.9836% (1.00 10.00   0.02   0.02) =   0.042%
          HB2   LEU   73 - HA    LYS+ 106  14.41 +/- 3.19   3.408% *  0.0932% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HA    LYS+ 106  12.96 +/- 1.51   2.631% *  0.0823% (0.84  1.00   0.02   0.02) =   0.003%
          QG1   ILE   56 - HA    LYS+ 106  12.98 +/- 4.01   3.361% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HA    LYS+ 106  14.16 +/- 2.57   2.114% *  0.0716% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.16 +/- 0.58   3.464% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+ 106  12.52 +/- 1.05   2.634% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+ 106  12.22 +/- 1.08   2.861% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  17.04 +/- 5.01   1.539% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.967, support = 5.13, residual support = 120.3:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.51 +/- 0.78  50.952% * 86.5151% (1.00 10.00   5.25 135.04) =  88.047%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.85 +/- 0.66  44.868% * 13.3320% (0.73  1.00   4.24  11.78) =  11.948%  kept
          HB3   PHE   60 - HA    LYS+ 106  14.29 +/- 3.37   2.406% *  0.0818% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   TRP   27 - HA    LYS+ 106  17.06 +/- 2.16   1.266% *  0.0594% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    LYS+ 106  21.66 +/- 2.47   0.507% *  0.0117% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.3, residual support = 135.0:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.29 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   6.30 135.04) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 135.0:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.35 +/- 0.13  97.174% * 98.2431% (1.00  10.0 10.00   5.38 135.04) =  99.991%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.38 +/- 2.47   0.706% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  33 - QB    LYS+ 106  19.25 +/- 2.27   0.202% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  11.62 +/- 2.88   1.521% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  15.67 +/- 1.75   0.397% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 135.0:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.24 +/- 0.16  92.025% * 97.1433% (1.00  10.0 10.00   5.06 135.04) =  99.970%  kept
        T QD    LYS+  99 - QB    LYS+ 106  10.81 +/- 1.41   1.232% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.013%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.90 +/- 2.25   1.072% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   ILE   56 - QB    LYS+ 106  12.82 +/- 3.49   0.836% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  123 - QB    LYS+ 106  16.82 +/- 4.32   0.325% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QB    LYS+ 106  11.62 +/- 1.57   0.785% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  13.54 +/- 2.70   0.640% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QB    LYS+ 106  10.39 +/- 1.21   1.315% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QB    LYS+ 106  11.69 +/- 0.89   0.725% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.32 +/- 0.94   1.043% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 4.88, residual support = 110.3:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.98 +/- 0.54  72.451% * 57.8731% (1.00 10.00   5.52 135.04) =  79.908%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.25 +/- 1.33  25.084% * 42.0245% (0.73 10.00   2.34  11.78) =  20.090%  kept
          HB3   PHE   60 - QB    LYS+ 106  14.25 +/- 2.87   1.302% *  0.0547% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QB    LYS+ 106  15.68 +/- 2.45   0.820% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  19.71 +/- 3.03   0.343% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 135.0:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.40 +/- 0.58  98.557% * 99.1803% (1.00  10.0 10.00   5.10 135.04) =  99.995%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.94 +/- 2.16   0.574% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 106 - QG    LYS+  81  17.69 +/- 2.43   0.869% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.35 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 = 0.737, support = 5.37, residual support = 137.0:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.35 +/- 0.13  25.522% * 48.8784% (1.00  10.0 10.00   5.38 135.04) =  50.461%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.22 +/- 0.09  29.680% * 28.0416% (0.57  10.0 10.00   5.63 156.63) =  33.666%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  35.057% * 10.7307% (0.22  10.0 10.00   4.78 105.16) =  15.217%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.28 +/- 0.81   1.586% * 10.0632% (0.87   1.0  1.00   4.75  24.44) =   0.646%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.84 +/- 2.54   1.898% *  0.0391% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HG2   LYS+ 106  18.29 +/- 3.07   0.089% *  0.4877% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  33   5.52 +/- 1.13   2.518% *  0.0122% (0.25   1.0  1.00   0.02   0.30) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  20.08 +/- 2.41   0.045% *  0.4624% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - QG    LYS+  81  15.38 +/- 2.47   0.163% *  0.1075% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.25 +/- 2.27   0.051% *  0.2964% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  23.00 +/- 4.94   0.039% *  0.2958% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.46 +/- 3.19   1.042% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.37 +/- 2.28   0.113% *  0.0479% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.19 +/- 4.00   0.047% *  0.1017% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.64 +/- 1.32   0.251% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.66 +/- 3.49   0.146% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  18.23 +/- 4.61   0.084% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.07 +/- 4.76   0.065% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.07 +/- 2.22   0.124% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.20 +/- 4.87   0.203% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.26 +/- 3.28   0.059% *  0.0237% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.48 +/- 3.16   0.054% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.81 +/- 2.91   0.033% *  0.0408% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.73 +/- 3.43   0.044% *  0.0296% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.00 +/- 2.78   0.059% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  20.18 +/- 5.37   0.127% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.04 +/- 2.93   0.332% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  20.15 +/- 3.99   0.092% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.68 +/- 3.56   0.078% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.36 +/- 3.28   0.066% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.13 +/- 2.81   0.024% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.56 +/- 3.03   0.017% *  0.0291% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.96 +/- 3.66   0.020% *  0.0248% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.34 +/- 3.80   0.045% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.00 +/- 4.85   0.078% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.65 +/- 2.86   0.021% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.27 +/- 3.10   0.032% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.74 +/- 4.20   0.077% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.09 +/- 2.57   0.018% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 135.0:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.37 +/- 0.14  86.204% * 96.6493% (1.00  10.0 10.00   4.17 135.04) =  99.978%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.68 +/- 1.29   0.804% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  99 - HG2   LYS+  33  14.20 +/- 3.36   0.735% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU   73 - HG2   LYS+  33  10.46 +/- 3.55   2.269% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG2   LYS+  33  19.90 +/- 2.73   0.179% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QG    LYS+  81  15.93 +/- 2.53   0.414% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 106  14.39 +/- 2.25   0.483% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.96 +/- 2.82   0.384% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.26 +/- 1.10   0.900% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.98 +/- 1.70   1.188% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.60 +/- 2.65   0.397% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.09 +/- 2.26   0.121% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.29 +/- 2.79   1.442% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  15.42 +/- 4.07   0.498% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.36 +/- 1.37   0.431% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  18.88 +/- 5.37   0.287% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  26.26 +/- 6.10   0.366% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  16.16 +/- 2.84   0.341% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.92 +/- 1.98   0.350% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.98 +/- 2.57   0.557% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.27 +/- 3.03   0.438% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  18.46 +/- 3.69   0.295% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.54 +/- 2.39   0.130% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.00 +/- 2.40   0.074% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  20.47 +/- 3.78   0.216% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.59 +/- 3.94   0.046% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.80 +/- 2.40   0.074% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  21.01 +/- 3.57   0.179% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  25.84 +/- 4.59   0.098% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  23.40 +/- 2.48   0.103% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.997, support = 4.58, residual support = 133.9:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.57 +/- 0.46  79.920% * 92.0642% (1.00  10.0 10.00   4.60 135.04) =  99.056%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.07 +/- 1.16  10.200% *  6.8223% (0.73   1.0  1.00   2.04  11.78) =   0.937%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  20.21 +/- 2.72   0.254% *  0.5583% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 106 - QG    LYS+  81  16.67 +/- 2.77   0.560% *  0.2026% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HG2   LYS+ 106  16.97 +/- 3.78   1.060% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  33   9.47 +/- 1.06   2.053% *  0.0384% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+ 106  18.28 +/- 2.84   0.402% *  0.0632% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.68 +/- 0.68   2.861% *  0.0076% (0.08   1.0  1.00   0.02   5.28) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  18.10 +/- 2.57   0.401% *  0.0405% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.94 +/- 3.03   0.301% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  15.68 +/- 5.47   0.980% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  18.99 +/- 3.35   0.325% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.74 +/- 2.50   0.362% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  22.11 +/- 3.85   0.207% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  26.33 +/- 4.14   0.114% *  0.0027% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.0:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.86 +/- 0.53  95.911% * 99.1942% (0.99 10.00   4.80 135.04) =  99.965%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.50 +/- 0.62   4.089% *  0.8058% (0.81 10.00   0.02   0.02) =   0.035%
    Distance limit 5.05 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 = 134.0:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.24 +/- 0.16  71.832% * 82.7918% (0.99  10.0 10.00   5.06 135.04) =  99.088%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.70 +/- 0.74   3.667% * 14.3142% (0.86   1.0  1.00   3.99  24.44) =   0.875%  kept
        T QB    LYS+ 106 - QD    LYS+  99  10.81 +/- 1.41   0.963% *  0.6725% (0.81   1.0 10.00   0.02   0.02) =   0.011%
          HB    ILE  103 - QD    LYS+ 106   6.14 +/- 2.35   8.949% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.010%
        T HB    ILE   56 - QD    LYS+ 106  16.61 +/- 4.57   0.547% *  0.6327% (0.76   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  38 - QD    LYS+  99   9.62 +/- 5.30   3.332% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QD    LYS+  99  12.88 +/- 3.31   1.333% *  0.0636% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - QD    LYS+  99  20.69 +/- 3.71   0.136% *  0.5140% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  99   9.17 +/- 1.04   1.180% *  0.0583% (0.70   1.0  1.00   0.02   0.41) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.58 +/- 1.08   1.100% *  0.0539% (0.64   1.0  1.00   0.02   0.48) =   0.001%
          HB3   PRO   58 - QD    LYS+ 106  17.76 +/- 4.60   3.048% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  13.08 +/- 2.22   0.461% *  0.0812% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD    LYS+  99  14.81 +/- 5.14   0.665% *  0.0514% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  15.82 +/- 2.69   0.296% *  0.0826% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.45 +/- 4.28   0.255% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.22 +/- 2.33   0.156% *  0.0783% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.16 +/- 2.74   0.432% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  20.50 +/- 3.11   0.163% *  0.0692% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  13.19 +/- 2.28   0.458% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.98 +/- 3.17   0.156% *  0.0502% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.38 +/- 4.09   0.134% *  0.0562% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.22 +/- 2.70   0.202% *  0.0340% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.11 +/- 2.66   0.089% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  22.80 +/- 1.93   0.074% *  0.0659% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  18.90 +/- 4.15   0.291% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.34 +/- 1.26   0.079% *  0.0187% (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 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.17, residual support = 135.0:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.37 +/- 0.14  95.687% * 96.1045% (0.99  10.0 10.00   4.17 135.04) =  99.979%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.68 +/- 1.29   0.893% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  33 - QD    LYS+  99  14.20 +/- 3.36   0.816% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.005%
        T QG    LYS+  81 - QD    LYS+ 106  15.93 +/- 2.53   0.459% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - QD    LYS+ 106  19.90 +/- 2.73   0.199% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QD    LYS+  99  22.09 +/- 2.26   0.135% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+ 106  12.84 +/- 2.83   1.033% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.88 +/- 2.44   0.372% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.34 +/- 2.03   0.241% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  21.13 +/- 3.16   0.166% *  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 = 0.99, support = 3.4, residual support = 134.6:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  89.766% * 93.0652% (0.99  10.0 10.00   3.40 135.04) =  99.684%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.42 +/- 1.04   4.365% *  5.8257% (0.72   1.0  1.00   1.72  11.78) =   0.303%  kept
        T QE    LYS+ 106 - QD    LYS+  99  10.76 +/- 1.82   1.047% *  0.7560% (0.81   1.0 10.00   0.02   0.02) =   0.009%
          HB2   PHE   97 - QD    LYS+  99   7.44 +/- 0.69   2.256% *  0.0549% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+ 106  15.66 +/- 3.78   0.629% *  0.0880% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.86 +/- 2.60   0.321% *  0.0519% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.47 +/- 2.80   0.242% *  0.0639% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.45 +/- 3.12   0.212% *  0.0715% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.51 +/- 3.82   1.026% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  20.05 +/- 3.79   0.136% *  0.0126% (0.13   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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.25, residual support = 135.0:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.51 +/- 0.78 100.000% *100.0000% (1.00 10.00   5.25 135.04) = 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 = 0.981, support = 5.28, residual support = 119.4:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.98 +/- 0.54  55.960% * 53.2613% (1.00 10.00   5.52 135.04) =  85.880%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.28 +/- 1.18  10.522% * 46.2004% (0.87 10.00   3.80  24.44) =  14.007%  kept
          HB    ILE  103 - QE    LYS+ 106   5.62 +/- 1.97  20.452% *  0.1795% (0.80  1.00   0.08   0.02) =   0.106%  kept
          HB3   PRO   58 - QE    LYS+ 106  18.41 +/- 4.74   8.716% *  0.0082% (0.15  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - QE    LYS+ 106  13.93 +/- 2.44   0.816% *  0.0522% (0.98  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+ 106  16.56 +/- 3.05   0.639% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  17.47 +/- 4.31   0.742% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  18.47 +/- 2.45   0.313% *  0.0504% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  19.16 +/- 4.18   0.309% *  0.0407% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  21.43 +/- 2.91   0.257% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  14.34 +/- 2.12   0.674% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  19.07 +/- 3.42   0.258% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.70 +/- 2.54   0.341% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 135.0:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.57 +/- 0.46  96.399% * 98.2431% (1.00  10.0 10.00   4.60 135.04) =  99.990%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.67 +/- 2.77   0.681% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  33 - QE    LYS+ 106  20.21 +/- 2.72   0.309% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QE    LYS+ 106  13.53 +/- 3.06   2.157% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.94 +/- 2.23   0.455% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.4, residual support = 135.0:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  93.758% * 98.5861% (0.99  10.0 10.00   3.40 135.04) =  99.986%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.76 +/- 1.82   1.097% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.012%
          HB3   LYS+  99 - QE    LYS+ 106  10.33 +/- 1.55   1.272% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+ 106  14.88 +/- 3.74   0.573% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  13.86 +/- 2.15   0.415% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.08 +/- 1.58   1.600% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.33 +/- 2.50   0.336% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  14.71 +/- 2.20   0.354% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  14.11 +/- 1.40   0.356% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  18.09 +/- 5.08   0.240% *  0.0373% (0.38   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 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   2.90 +/- 0.14  84.573% * 99.6302% (0.73  10.0 10.00   3.31  60.13) =  99.989%  kept
          QG    GLU-  79 - HA    VAL  107  17.26 +/- 3.89   4.642% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          QE    LYS+ 112 - HA    VAL  107  11.13 +/- 2.51   5.574% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   45 - HA    VAL  107  10.83 +/- 1.69   2.132% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    VAL  107  10.74 +/- 3.01   2.587% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    VAL  107  22.68 +/- 2.17   0.193% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.52 +/- 1.39   0.300% *  0.0272% (0.20   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 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   2.90 +/- 0.14  90.691% * 99.7511% (0.73  10.0 10.00   3.31  60.13) =  99.996%  kept
          HA    ALA  110 - HB    VAL  107   8.34 +/- 1.65   6.061% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  13.10 +/- 1.15   1.091% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  18.93 +/- 1.98   0.381% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  13.87 +/- 1.26   0.948% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  15.80 +/- 3.52   0.828% *  0.0197% (0.14   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 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   2.70 +/- 0.34  91.314% * 99.4465% (1.00  10.0 10.00   3.58  65.03) =  99.993%  kept
          HB2   PRO   93 - HA    VAL  108   7.75 +/- 1.98   5.643% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - HA    VAL  108  13.69 +/- 2.93   0.996% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  18.30 +/- 3.45   0.441% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  21.26 +/- 4.84   0.862% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  21.11 +/- 2.26   0.247% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  21.92 +/- 1.47   0.210% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.00 +/- 2.63   0.229% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  35.79 +/- 4.63   0.057% *  0.0135% (0.14   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 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   2.64 +/- 0.08  93.848% * 99.8607% (1.00  10.0 10.00   3.97  65.03) =  99.998%  kept
          QD2   LEU   67 - HA    VAL  108  15.16 +/- 3.70   3.063% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - HA    VAL  108  13.61 +/- 2.37   1.299% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL  108  15.41 +/- 3.24   0.690% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  15.30 +/- 3.87   1.100% *  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 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   2.56 +/- 0.49  95.909% * 99.7938% (1.00  10.0 10.00   3.30  65.03) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  11.12 +/- 2.47   2.011% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HA    VAL  108  13.33 +/- 1.02   0.831% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  12.03 +/- 1.02   1.248% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 3.58, residual support = 64.7:
    * O T HA    VAL  108 - HB    VAL  108   2.70 +/- 0.34  87.251% * 96.1482% (1.00  10.0 10.00   3.58  65.03) =  99.491%  kept
          HA1   GLY  109 - HB    VAL  108   5.58 +/- 0.28  11.568% *  3.7057% (0.31   1.0  1.00   2.50   7.45) =   0.508%  kept
          HA    ALA   47 - HB    VAL  108  15.52 +/- 2.19   0.544% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HB    VAL  108  17.47 +/- 2.99   0.415% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  20.59 +/- 2.18   0.222% *  0.0190% (0.20   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 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  91.307% * 99.8607% (1.00  10.0 10.00   3.74  65.03) =  99.998%  kept
          QD2   LEU   67 - HB    VAL  108  15.79 +/- 4.37   6.495% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - HB    VAL  108  13.67 +/- 3.04   1.541% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB    VAL  108  16.75 +/- 3.61   0.296% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  16.03 +/- 3.96   0.362% *  0.0198% (0.20   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 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  98.235% * 99.1471% (1.00  10.0 10.00   3.30  65.03) =  99.994%  kept
        T QD1   ILE  119 - HB    VAL  108  12.53 +/- 2.58   0.671% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - HB    VAL  108  12.56 +/- 1.37   0.598% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB    VAL  108  13.80 +/- 1.59   0.496% *  0.0372% (0.38   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 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.983, support = 3.95, residual support = 63.7:
    * O T HA    VAL  108 - QG1   VAL  108   2.64 +/- 0.08  65.535% * 95.2117% (1.00  10.0 10.00   3.97  65.03) =  97.610%  kept
          HA1   GLY  109 - QG1   VAL  108   3.40 +/- 0.32  32.888% *  4.6436% (0.31   1.0  1.00   3.16   7.45) =   2.389%  kept
          HA    ALA   47 - QG1   VAL  108  13.03 +/- 2.20   0.701% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG1   VAL  108  14.53 +/- 3.11   0.586% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  17.12 +/- 2.40   0.290% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  95.838% * 99.4465% (1.00  10.0 10.00   3.74  65.03) =  99.997%  kept
          HB2   PRO   93 - QG1   VAL  108   8.35 +/- 1.85   2.305% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QG1   VAL  108  13.49 +/- 2.23   0.466% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  17.03 +/- 3.08   0.264% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  19.45 +/- 4.96   0.611% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.89 +/- 2.57   0.169% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.10 +/- 1.99   0.163% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.73 +/- 2.58   0.146% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  31.25 +/- 4.42   0.039% *  0.0135% (0.14   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 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   2.08 +/- 0.02  98.022% * 99.7938% (1.00  10.0 10.00   3.44  65.03) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108  11.14 +/- 1.80   0.811% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL  108  12.35 +/- 1.20   0.547% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL  108  11.64 +/- 0.98   0.620% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.6:
    * O T HA    VAL  108 - QG2   VAL  108   2.56 +/- 0.49  82.745% * 96.3201% (1.00  10.0 10.00   3.30  65.03) =  99.324%  kept
          HA1   GLY  109 - QG2   VAL  108   5.14 +/- 0.34  15.321% *  3.5336% (0.31   1.0  1.00   2.38   7.45) =   0.675%  kept
          HA    ALA   47 - QG2   VAL  108  12.85 +/- 2.16   0.918% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG2   VAL  108  14.62 +/- 2.86   0.647% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  17.16 +/- 2.19   0.369% *  0.0191% (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 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  95.900% * 98.6316% (1.00  10.0 10.00   3.30  65.03) =  99.992%  kept
        T HB    ILE  119 - QG2   VAL  108  12.85 +/- 2.90   0.596% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QG2   VAL  108   8.28 +/- 1.40   2.128% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL  108  17.14 +/- 2.79   0.237% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  17.59 +/- 2.52   0.214% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.17 +/- 1.49   0.206% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.60 +/- 4.22   0.491% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.44 +/- 2.59   0.184% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.07 +/- 3.97   0.043% *  0.0133% (0.14   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 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   2.08 +/- 0.02  94.437% * 99.8607% (1.00  10.0 10.00   3.44  65.03) =  99.998%  kept
          QD2   LEU   67 - QG2   VAL  108  13.31 +/- 3.34   3.248% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - QG2   VAL  108  11.48 +/- 2.36   1.289% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL  108  14.20 +/- 2.86   0.427% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  13.29 +/- 3.23   0.599% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 9.3:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  98.733% * 98.9563% (1.00  10.0 10.00   2.00   9.30) =  99.998%  kept
        T HB2   TRP   49 - HA1   GLY  109  19.12 +/- 3.75   0.125% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR  118 - HA1   GLY  109  13.47 +/- 2.72   0.572% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA1   GLY  109  14.52 +/- 3.28   0.291% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.50 +/- 2.57   0.279% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.3:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.539% * 94.0054% (1.00  10.0 10.00   2.00   9.30) =  99.732%  kept
          HA    VAL  108 - HA2   GLY  109   4.42 +/- 0.05   5.843% *  3.9865% (0.31   1.0  1.00   2.75   7.45) =   0.264%  kept
        T HA    CYS   50 - HA2   GLY  109  15.99 +/- 3.92   0.230% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    TRP   49 - HA2   GLY  109  19.39 +/- 3.12   0.092% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   47 - HA2   GLY  109  15.33 +/- 2.64   0.190% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.91 +/- 3.20   0.049% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.07 +/- 0.95   0.055% *  0.0458% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  96.849% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.994%  kept
        T QB    ALA   61 - HA    ALA  110  13.39 +/- 1.92   0.480% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          QG    LYS+  66 - HA    ALA  110  17.09 +/- 4.57   0.941% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA  110  19.18 +/- 3.77   0.282% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.75 +/- 4.25   0.216% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  18.24 +/- 3.09   0.241% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  17.51 +/- 2.70   0.210% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  24.14 +/- 3.30   0.099% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.11 +/- 3.12   0.198% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.43 +/- 2.70   0.207% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.90 +/- 1.30   0.204% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.92 +/- 1.83   0.073% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.57:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  81.544% * 94.5723% (1.00  10.0 10.00   1.31   9.58) =  99.828%  kept
          HA    PHE   55 - QB    ALA  110  11.97 +/- 4.83   2.869% *  4.3768% (0.87   1.0  1.00   1.07   0.02) =   0.163%  kept
        T HA    ALA  110 - QB    ALA   61  13.39 +/- 1.92   0.405% *  0.6998% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA  110   7.35 +/- 1.58   5.982% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    ALA  110  11.22 +/- 2.68   0.865% *  0.0927% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    ALA   61   9.52 +/- 2.91   3.230% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QB    ALA  110   9.19 +/- 3.22   2.714% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QB    ALA   61  10.91 +/- 0.83   0.643% *  0.0607% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  15.44 +/- 2.86   0.300% *  0.0686% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  12.67 +/- 2.60   0.848% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.27 +/- 1.93   0.323% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.33 +/- 2.58   0.277% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.97, residual support = 314.4:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.72 +/- 0.29  82.034% * 97.8377% (1.00  10.0 10.00   7.98 315.09) =  99.779%  kept
          QB    GLU- 114 - HA    LYS+ 111   5.04 +/- 0.65  15.134% *  1.1609% (0.57   1.0  1.00   0.42   1.81) =   0.218%  kept
        T HG3   GLN   30 - HA    LYS+ 111  25.58 +/- 3.75   0.151% *  0.4762% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    LYS+ 111  23.32 +/- 5.19   0.341% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+ 111  11.97 +/- 0.95   1.078% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  25.86 +/- 4.70   0.174% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  22.33 +/- 5.16   0.371% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  26.95 +/- 4.03   0.142% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.93 +/- 4.24   0.216% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  28.25 +/- 4.55   0.098% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  24.98 +/- 3.41   0.155% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.51 +/- 2.79   0.106% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.10 +/- 0.61  71.063% * 99.2615% (1.00  10.0 10.00   7.31 315.09) =  99.984%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.33 +/- 3.30  18.792% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.008%
          HB3   ASP-  44 - HA    LYS+ 111  13.27 +/- 2.76   2.174% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LYS+ 111  15.33 +/- 3.42   1.443% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HA    LYS+ 111  14.34 +/- 2.76   1.447% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  19.69 +/- 4.53   0.534% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 111  14.67 +/- 2.57   1.060% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+ 111  12.63 +/- 3.03   2.286% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.26 +/- 1.38   0.382% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.53 +/- 2.71   0.207% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.90 +/- 3.08   0.169% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.53 +/- 2.34   0.332% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  29.66 +/- 3.04   0.111% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.981, support = 7.27, residual support = 306.4:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.97 +/- 0.69  73.162% * 89.6311% (1.00  10.0 10.00   7.31 315.09) =  96.975%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.24 +/- 1.44  20.714% *  9.8183% (0.38   1.0  1.00   5.84  29.02) =   3.008%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  18.97 +/- 4.55   2.968% *  0.3364% (0.38   1.0 10.00   0.02   0.02) =   0.015%
          HG12  ILE   89 - HA    LYS+ 111  14.36 +/- 2.53   1.609% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 111  24.19 +/- 3.95   0.329% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.89 +/- 4.52   0.670% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.29 +/- 4.23   0.298% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.15 +/- 3.02   0.250% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 314.9:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.38 +/- 0.79  65.323% * 98.3525% (1.00 10.00   6.21 315.09) =  99.949%  kept
          HG3   PRO   93 - HA    LYS+ 111   7.81 +/- 3.61  19.754% *  0.0853% (0.87  1.00   0.02   0.02) =   0.026%
          HB3   MET   92 - HA    LYS+ 111   9.82 +/- 3.25   8.470% *  0.0964% (0.98  1.00   0.02   0.02) =   0.013%
        T QD    LYS+ 102 - HA    LYS+ 111  22.67 +/- 1.96   0.338% *  0.6756% (0.69 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HA    LYS+ 111  17.26 +/- 2.63   1.022% *  0.1518% (0.15 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 111  13.04 +/- 1.74   1.999% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 111  20.46 +/- 4.53   0.841% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 111  26.47 +/- 3.03   0.219% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  17.33 +/- 0.76   0.631% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  21.20 +/- 2.52   0.526% *  0.0676% (0.69  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  19.57 +/- 4.20   0.877% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 315.0:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.31 +/- 0.55  80.139% * 98.5544% (1.00 10.00   6.21 315.09) =  99.970%  kept
          QB    ALA   57 - HA    LYS+ 111  11.87 +/- 2.37   7.447% *  0.0983% (1.00  1.00   0.02   0.02) =   0.009%
        T QD    LYS+  33 - HA    LYS+ 111  25.99 +/- 3.54   0.616% *  0.8839% (0.90 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  65 - HA    LYS+ 111  17.26 +/- 2.63   2.094% *  0.2457% (0.25 10.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HA    LYS+ 111  18.93 +/- 4.58   4.567% *  0.0823% (0.84  1.00   0.02   0.02) =   0.005%
          HB3   LEU  123 - HA    LYS+ 111  18.35 +/- 0.96   1.198% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.99 +/- 1.41   1.691% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  19.57 +/- 4.20   2.248% *  0.0195% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.45 +/- 0.55  95.625% * 99.8490% (1.00 10.00   5.62 315.09) =  99.996%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.96 +/- 1.95   3.118% *  0.0945% (0.95  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - HA    LYS+ 111  23.24 +/- 5.62   1.257% *  0.0565% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.1:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.72 +/- 0.29  97.979% * 99.7221% (1.00  10.0 10.00   7.98 315.09) =  99.999%  kept
          HA    PRO   52 - HB2   LYS+ 111  13.57 +/- 4.58   1.665% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG3   GLN   30  25.58 +/- 3.75   0.179% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.32 +/- 2.99   0.177% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 0.998, support = 7.31, residual support = 314.4:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.84 +/- 0.19  66.752% * 94.4617% (1.00  10.0 10.00   7.31 315.09) =  99.723%  kept
          HB2   LEU   31 - HG3   GLN   30   7.57 +/- 0.33   3.703% *  4.5231% (0.20   1.0  1.00   4.81  51.48) =   0.265%  kept
          HB3   PRO   93 - HB2   LYS+ 111   9.63 +/- 3.10   9.503% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   77 - HB2   LYS+ 111  13.76 +/- 3.33   6.541% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HB2   LYS+ 111  14.44 +/- 3.16   1.137% *  0.0686% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  16.53 +/- 3.21   0.665% *  0.0789% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+ 111  14.78 +/- 3.00   0.817% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB2   LYS+ 111  20.85 +/- 4.81   0.374% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   GLN   30  22.55 +/- 5.61   2.730% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  15.57 +/- 2.68   0.693% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.98 +/- 3.69   0.110% *  0.1899% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.18 +/- 3.49   1.026% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.69 +/- 1.87   0.303% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.00 +/- 1.87   0.861% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  17.33 +/- 6.63   0.707% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.32 +/- 2.20   0.821% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.76 +/- 3.52   0.106% *  0.0936% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  24.86 +/- 3.10   0.116% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.16 +/- 2.96   0.532% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  21.05 +/- 2.79   0.205% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.97 +/- 3.43   0.888% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.42 +/- 3.17   0.062% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  17.40 +/- 3.74   0.402% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  20.28 +/- 2.97   0.219% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  15.11 +/- 2.04   0.512% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.44 +/- 2.68   0.216% *  0.0059% (0.06   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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.986, support = 7.26, residual support = 308.9:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.78 +/- 0.27  61.690% * 88.4008% (1.00  10.0 10.00   7.29 315.09) =  97.830%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.25 +/- 1.44  11.722% * 10.2781% (0.38   1.0  1.00   6.20  29.02) =   2.161%  kept
        T HG2   LYS+  74 - HB2   LYS+ 111  20.33 +/- 4.47   0.407% *  0.3318% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG3   GLN   30  11.63 +/- 3.01   1.385% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HB2   LYS+ 111  15.17 +/- 2.87   0.726% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   6.07 +/- 1.55  15.087% *  0.0035% (0.04   1.0  1.00   0.02  14.76) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  25.35 +/- 4.11   0.139% *  0.3634% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   9.80 +/- 3.22   3.810% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   GLN   30  10.80 +/- 3.35   3.861% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HB2   LYS+ 111  25.96 +/- 4.36   0.115% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.20 +/- 3.18   0.077% *  0.1777% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  25.24 +/- 3.80   0.126% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  24.42 +/- 3.29   0.132% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  20.46 +/- 3.25   0.223% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.72 +/- 3.30   0.388% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  25.19 +/- 4.80   0.114% *  0.0067% (0.08   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 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.0:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.50 +/- 0.33  60.598% * 97.6852% (1.00  10.0 10.00   6.62 315.09) =  99.967%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.02 +/- 3.62  13.781% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.020%
          HB2   LEU   73 - HG3   GLN   30   6.76 +/- 3.92  19.262% *  0.0176% (0.18   1.0  1.00   0.02   5.70) =   0.006%
          HB3   MET   92 - HB2   LYS+ 111  11.07 +/- 3.12   1.370% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB2   LYS+ 111  22.71 +/- 2.55   0.091% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HB2   LYS+ 111  13.10 +/- 2.27   0.640% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  14.04 +/- 2.01   0.574% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   GLN   30  19.01 +/- 3.50   0.211% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  18.51 +/- 2.40   0.182% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.69 +/- 1.30   0.233% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.38 +/- 2.68   0.108% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.11 +/- 3.32   0.056% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  14.07 +/- 2.28   0.553% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.60 +/- 4.42   0.181% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  27.78 +/- 4.27   0.069% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  24.82 +/- 5.47   0.603% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  21.44 +/- 2.83   0.120% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.02 +/- 2.86   0.458% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  20.64 +/- 4.29   0.206% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.47 +/- 2.60   0.184% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.55 +/- 2.51   0.099% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.56 +/- 6.24   0.421% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.983, support = 6.49, residual support = 308.5:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.17 +/- 0.30  66.973% * 92.1301% (1.00  10.0 10.00   6.62 315.09) =  97.904%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.21 +/- 0.83  21.109% *  6.2279% (0.18   1.0 10.00   0.75   0.30) =   2.086%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.82 +/- 2.18   1.672% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HB2   LYS+ 111  26.83 +/- 3.54   0.143% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB2   LYS+ 111  18.51 +/- 2.40   0.409% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  14.07 +/- 2.28   1.387% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   LYS+ 111  20.32 +/- 4.46   0.715% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  17.70 +/- 1.45   0.435% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   GLN   30  11.82 +/- 2.30   1.991% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.38 +/- 5.81   1.622% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.59 +/- 4.17   0.129% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.61 +/- 2.16   0.686% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.29 +/- 3.35   0.807% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  20.64 +/- 4.29   0.533% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.56 +/- 6.24   0.841% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.24 +/- 5.13   0.547% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.1:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.54 +/- 0.73  65.039% * 99.6189% (1.00 10.00   6.05 315.09) =  99.990%  kept
          HB2   CYS   21 - HG3   GLN   30   6.06 +/- 2.49  31.690% *  0.0113% (0.11  1.00   0.02   0.02) =   0.006%
          HB2   PHE   45 - HB2   LYS+ 111  14.10 +/- 1.94   1.459% *  0.0942% (0.95  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG3   GLN   30  24.95 +/- 3.78   0.357% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  24.31 +/- 5.72   0.707% *  0.0564% (0.57  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HG3   GLN   30  17.22 +/- 2.64   0.749% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.1:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.10 +/- 0.61  97.174% * 99.9354% (1.00  10.0 10.00   7.31 315.09) =  99.998%  kept
          HA    PRO   52 - HG2   LYS+ 111  14.23 +/- 5.33   2.826% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.26, residual support = 312.7:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.84 +/- 0.19  71.978% * 96.9494% (1.00  10.0 10.00   7.31 315.09) =  99.239%  kept
          QB    GLU- 114 - HG2   LYS+ 111   5.12 +/- 1.66  25.922% *  2.0583% (0.57   1.0  1.00   0.75   1.81) =   0.759%  kept
        T HG3   GLN   30 - HG2   LYS+ 111  26.98 +/- 3.69   0.126% *  0.4719% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   LYS+ 111  24.99 +/- 5.44   0.238% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+ 111  13.29 +/- 0.93   0.709% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  29.23 +/- 4.55   0.143% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  27.56 +/- 4.40   0.129% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.01 +/- 5.49   0.259% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  28.30 +/- 3.72   0.099% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.47 +/- 4.08   0.178% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.30 +/- 3.37   0.126% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  28.26 +/- 3.55   0.092% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 314.5:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  97.409% * 89.2998% (1.00  10.0 10.00   6.98 315.09) =  99.782%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.18 +/- 1.81   2.069% *  9.0809% (0.38   1.0  1.00   5.42  29.02) =   0.216%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  15.16 +/- 2.62   0.217% *  0.8851% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+ 111  20.80 +/- 3.96   0.127% *  0.3352% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.93 +/- 3.78   0.047% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  25.83 +/- 3.78   0.040% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.92 +/- 4.21   0.042% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.47 +/- 4.31   0.049% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 315.0:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.85 +/- 0.17  87.837% * 97.1375% (1.00  10.0 10.00   6.21 315.09) =  99.973%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  13.17 +/- 2.59   1.469% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.012%
          HG3   PRO   93 - HG2   LYS+ 111   9.33 +/- 3.36   5.710% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HB3   MET   92 - HG2   LYS+ 111  10.87 +/- 3.10   2.858% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HG2   LYS+ 111  21.94 +/- 3.31   0.281% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+ 111  22.84 +/- 3.16   0.277% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  19.09 +/- 2.64   0.390% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  27.46 +/- 3.41   0.130% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.27 +/- 0.80   0.344% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  22.05 +/- 4.05   0.324% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.51 +/- 4.34   0.381% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.1:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.50 +/- 0.26  97.054% * 97.8296% (1.00  10.0 10.00   6.21 315.09) =  99.992%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  20.73 +/- 4.04   0.576% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HG2   LYS+ 111  27.17 +/- 3.65   0.122% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 111  13.70 +/- 2.21   0.966% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.09 +/- 2.64   0.313% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  19.29 +/- 1.03   0.244% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  17.02 +/- 1.99   0.345% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.51 +/- 4.34   0.380% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 315.1:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.76 +/- 0.53  98.721% * 99.8490% (1.00  10.0 10.00   5.62 315.09) =  99.999%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.38 +/- 1.54   1.047% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  24.64 +/- 5.39   0.232% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.1:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.97 +/- 0.69  90.742% * 99.8218% (1.00  10.0 10.00   7.31 315.09) =  99.992%  kept
        T HA    LYS+ 111 - HG2   LYS+  74  18.97 +/- 4.55   3.805% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - HG3   LYS+ 111  13.95 +/- 5.59   4.298% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - HG2   LYS+  74  18.03 +/- 2.98   1.155% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 315.0:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.78 +/- 0.27  65.401% * 98.2440% (1.00  10.0 10.00   7.29 315.09) =  99.976%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.31 +/- 1.30  18.379% *  0.0556% (0.57   1.0  1.00   0.02   1.81) =   0.016%
        T HB    ILE   19 - HG2   LYS+  74   9.29 +/- 3.65   3.906% *  0.0511% (0.05   1.0 10.00   0.02   8.27) =   0.003%
        T HG3   GLN   30 - HG2   LYS+  74  11.63 +/- 3.01   1.477% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  25.68 +/- 3.70   0.108% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG2   LYS+  74  20.33 +/- 4.47   0.438% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  27.20 +/- 3.18   0.083% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   LYS+  74  14.27 +/- 3.60   2.405% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.22 +/- 5.50   0.223% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  11.83 +/- 4.42   1.758% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.48 +/- 1.00   0.657% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.24 +/- 5.48   0.222% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  28.48 +/- 3.64   0.090% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  27.74 +/- 4.17   0.088% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  29.39 +/- 4.13   0.082% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.87 +/- 3.75   0.651% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.11 +/- 3.23   1.143% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.99 +/- 1.89   0.390% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  17.89 +/- 3.71   0.596% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.88 +/- 2.22   1.154% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.62 +/- 3.13   0.080% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.54 +/- 2.95   0.090% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.66 +/- 3.62   0.386% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  20.76 +/- 2.23   0.191% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.1:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  88.398% * 98.9181% (1.00  10.0 10.00   6.98 315.09) =  99.998%  kept
          HB3   ASP-  44 - HG2   LYS+  74   7.44 +/- 1.92   3.764% *  0.0077% (0.08   1.0  1.00   0.02   5.20) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   9.89 +/- 2.91   0.901% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.71 +/- 3.35   1.192% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.14 +/- 2.71   0.224% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  14.46 +/- 3.04   0.309% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  20.80 +/- 3.96   0.115% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  17.49 +/- 3.17   0.143% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74   9.87 +/- 2.36   0.877% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  20.70 +/- 4.18   0.083% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.11 +/- 2.28   0.078% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  15.27 +/- 2.36   0.179% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  11.19 +/- 2.17   0.530% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.40 +/- 1.62   0.060% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.18 +/- 1.78   0.070% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.71 +/- 3.20   0.035% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.21 +/- 3.40   0.030% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   8.13 +/- 1.83   1.632% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  21.68 +/- 2.77   0.058% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.47 +/- 1.50   0.142% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.18 +/- 3.10   0.018% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  12.82 +/- 2.20   0.397% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.77 +/- 1.72   0.356% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.73 +/- 2.19   0.194% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.84 +/- 2.22   0.149% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.98 +/- 3.21   0.066% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 314.2:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.84 +/- 0.14  61.340% * 94.6595% (1.00  10.0 10.00   5.40 315.09) =  99.693%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.64 +/- 0.97   7.360% *  2.1609% (0.10   1.0  1.00   4.76  41.39) =   0.273%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  13.36 +/- 2.24   0.816% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.010%
          HG3   PRO   93 - HG3   LYS+ 111   9.02 +/- 3.37   6.401% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.009%
        T QD    LYS+  65 - HG2   LYS+  74   7.98 +/- 2.87  16.281% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HG3   LYS+ 111  10.62 +/- 2.86   2.004% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HG3   LYS+ 111  22.28 +/- 3.02   0.167% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  23.11 +/- 2.83   0.141% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG2   LYS+  74  21.41 +/- 4.60   0.434% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  15.79 +/- 2.31   0.550% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.09 +/- 2.87   0.276% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  74  20.56 +/- 3.05   0.395% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.20 +/- 2.06   0.320% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.83 +/- 3.18   0.076% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.52 +/- 0.82   0.226% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  22.19 +/- 3.80   0.212% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  19.03 +/- 1.90   0.230% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  14.65 +/- 2.11   0.678% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  14.92 +/- 2.25   0.571% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.48 +/- 3.71   0.217% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.38 +/- 2.26   1.090% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.54 +/- 3.88   0.217% *  0.0091% (0.10   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.929, support = 5.41, residual support = 305.1:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.69 +/- 0.32  42.572% * 89.7666% (1.00  10.0 10.00   5.40 315.09) =  92.224%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.76 +/- 0.20  40.134% *  8.0133% (0.09  10.0 10.00   5.54 186.53) =   7.761%  kept
        T QD    LYS+  65 - HG2   LYS+  74   7.98 +/- 2.87  13.130% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.008%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.78 +/- 3.94   0.162% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG3   LYS+ 111  27.43 +/- 3.15   0.046% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.09 +/- 2.87   0.163% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+ 111  13.72 +/- 2.24   0.401% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  14.38 +/- 2.52   0.375% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  12.25 +/- 4.05   1.525% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.29 +/- 4.29   0.149% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.52 +/- 1.17   0.113% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  17.23 +/- 1.84   0.190% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.48 +/- 3.71   0.127% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.38 +/- 2.26   0.594% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.30 +/- 4.20   0.115% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.63 +/- 3.47   0.203% *  0.0027% (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 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.1:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.50 +/- 0.45  85.708% * 99.7265% (1.00  10.0 10.00   5.44 315.09) =  99.997%  kept
        T QE    LYS+ 111 - HG2   LYS+  74  19.30 +/- 3.87   0.679% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+  74   8.96 +/- 3.00  11.015% *  0.0060% (0.06   1.0  1.00   0.02  10.26) =   0.001%
          HB2   PHE   45 - HG3   LYS+ 111  14.27 +/- 1.54   0.636% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HG2   LYS+  74  10.01 +/- 1.41   1.674% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.78 +/- 5.06   0.288% *  0.0565% (0.57   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 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.1:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.38 +/- 0.79  90.050% * 99.4172% (1.00 10.00   6.21 315.09) =  99.993%  kept
        T HA    LYS+ 111 - QD    LYS+  65  17.26 +/- 2.63   1.397% *  0.1523% (0.15 10.00   0.02   0.02) =   0.002%
          HA    PRO   52 - HD2   LYS+ 111  14.33 +/- 4.87   2.970% *  0.0643% (0.65  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  22.67 +/- 1.96   0.459% *  0.2599% (0.26 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  65  15.90 +/- 3.61   3.940% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  26.47 +/- 3.03   0.295% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  27.69 +/- 3.17   0.288% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  28.07 +/- 5.07   0.601% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 315.0:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.50 +/- 0.33  44.363% * 97.9440% (1.00  10.0 10.00   6.62 315.09) =  99.981%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.49 +/- 1.36   6.908% *  0.0555% (0.57   1.0  1.00   0.02   1.81) =   0.009%
          HB2   GLN   17 - QD    LYS+  65  10.72 +/- 5.12   8.534% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QD    LYS+  38   8.69 +/- 6.33  18.523% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  14.07 +/- 2.28   0.420% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  38  14.99 +/- 3.96   9.805% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  27.78 +/- 4.27   0.049% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  18.51 +/- 2.40   0.133% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  19.01 +/- 3.50   0.160% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  22.71 +/- 2.55   0.065% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   8.41 +/- 1.80   2.158% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.04 +/- 2.01   0.325% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65  10.20 +/- 1.19   0.717% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  14.12 +/- 4.08   0.540% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.80 +/- 5.30   0.087% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.41 +/- 1.13   0.320% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.10 +/- 5.68   0.268% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.65 +/- 3.61   0.930% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  11.88 +/- 2.83   0.708% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  28.11 +/- 4.78   0.046% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.35 +/- 4.75   0.167% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.86 +/- 2.27   0.561% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  18.64 +/- 3.63   0.284% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.60 +/- 1.12   0.600% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  28.83 +/- 4.05   0.037% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  24.79 +/- 5.31   0.089% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  30.13 +/- 5.10   0.038% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.15 +/- 4.61   0.066% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.11 +/- 3.32   0.039% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.58 +/- 4.80   0.099% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.65 +/- 3.72   0.194% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  15.67 +/- 3.11   0.296% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  18.62 +/- 2.64   0.128% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  22.31 +/- 3.25   0.082% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.26 +/- 1.88   0.195% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.42 +/- 1.96   0.359% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  17.78 +/- 3.64   0.199% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.12 +/- 3.90   0.050% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.28 +/- 3.16   0.098% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  14.55 +/- 2.15   0.267% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  29.19 +/- 3.27   0.033% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  14.74 +/- 1.96   0.250% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.20 +/- 1.89   0.403% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  21.97 +/- 4.87   0.094% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.33 +/- 1.54   0.078% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.07 +/- 2.04   0.082% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  22.79 +/- 2.30   0.062% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.66 +/- 4.65   0.092% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.918, support = 6.16, residual support = 306.6:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.85 +/- 0.17  25.119% * 90.8110% (1.00  10.0 10.00   6.21 315.09) =  91.244%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.43 +/- 0.16  39.672% *  5.4729% (0.06  10.0 10.00   5.75 220.08) =   8.685%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.43 +/- 3.60   3.512% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.039%
        T HG2   LYS+  99 - QD    LYS+ 102   8.89 +/- 1.01   0.937% *  0.2129% (0.23   1.0 10.00   0.02   1.40) =   0.008%
        T HG2   LYS+  99 - QD    LYS+  38   9.50 +/- 5.17   2.575% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  38 - QD    LYS+ 102  15.58 +/- 5.33   0.298% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD    LYS+  65   9.36 +/- 3.26   3.698% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HD2   LYS+ 111  14.43 +/- 3.62   2.405% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.24 +/- 3.34   0.037% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  15.64 +/- 3.55   0.448% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65   9.01 +/- 4.08  10.127% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.77 +/- 0.85   1.564% *  0.0116% (0.13   1.0  1.00   0.02   3.70) =   0.001%
          HB2   LEU   31 - QD    LYS+ 102  15.32 +/- 5.29   0.688% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  22.84 +/- 3.16   0.064% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.48 +/- 1.50   1.426% *  0.0106% (0.12   1.0  1.00   0.02   1.75) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.09 +/- 2.64   0.107% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.67 +/- 3.53   0.020% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HD2   LYS+ 111  15.00 +/- 3.38   0.315% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+ 111  17.92 +/- 3.27   0.151% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.01 +/- 1.65   0.090% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  21.41 +/- 5.47   0.133% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  19.82 +/- 2.10   0.089% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  15.86 +/- 3.24   0.223% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.15 +/- 4.47   1.403% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  14.98 +/- 3.85   0.416% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.93 +/- 1.94   0.085% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  14.82 +/- 4.11   0.343% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.86 +/- 3.85   0.037% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.19 +/- 3.84   0.686% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.00 +/- 1.38   0.408% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.29 +/- 3.22   0.067% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.30 +/- 2.30   0.176% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  20.45 +/- 4.17   0.101% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.46 +/- 3.41   0.032% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  18.00 +/- 1.80   0.112% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  17.40 +/- 4.34   0.301% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  21.46 +/- 6.39   0.109% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.84 +/- 3.71   0.454% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  17.12 +/- 3.32   0.176% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.82 +/- 3.01   0.168% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  21.20 +/- 2.38   0.066% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.67 +/- 2.20   0.150% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.77 +/- 3.25   0.162% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  20.12 +/- 7.13   0.210% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.89 +/- 2.84   0.141% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.48 +/- 1.73   0.099% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  21.05 +/- 1.30   0.063% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.85 +/- 3.63   0.052% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  21.65 +/- 3.31   0.066% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  21.30 +/- 2.25   0.066% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.56 +/- 2.46   0.103% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.71 +/- 2.23   0.045% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 313.7:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.84 +/- 0.14  59.671% * 90.8384% (1.00  10.0 10.00   5.40 315.09) =  99.504%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.11 +/- 1.62   3.418% *  7.4531% (0.38   1.0  1.00   4.37  29.02) =   0.468%  kept
        T HG2   LYS+  74 - QD    LYS+  65   7.98 +/- 2.87  15.653% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+  99 - QD    LYS+ 102   8.87 +/- 1.17   2.381% *  0.0810% (0.09   1.0 10.00   0.02   1.40) =   0.004%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.41 +/- 4.60   0.435% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - QD    LYS+  38   9.69 +/- 4.98   5.341% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HD2   LYS+ 111  15.72 +/- 3.44   0.550% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.09 +/- 2.87   0.268% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+ 102  20.56 +/- 3.05   0.384% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  23.11 +/- 2.83   0.136% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.82 +/- 3.57   0.101% *  0.3099% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD    LYS+  65  16.58 +/- 4.96   1.628% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.22 +/- 1.38   0.203% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  17.00 +/- 3.72   0.394% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  11.79 +/- 2.11   1.209% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  19.03 +/- 1.90   0.224% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.35 +/- 1.94   0.987% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.83 +/- 3.18   0.073% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.18 +/- 1.43   1.614% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  26.59 +/- 4.12   0.104% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.87 +/- 1.41   1.316% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.69 +/- 4.45   0.107% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.12 +/- 2.92   1.264% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  17.92 +/- 3.26   0.297% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.26 +/- 2.60   0.565% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  18.01 +/- 3.37   0.281% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.12 +/- 4.79   0.138% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.63 +/- 4.02   0.305% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.76 +/- 2.50   0.105% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.52 +/- 2.60   0.620% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  23.41 +/- 3.21   0.122% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  26.16 +/- 3.81   0.104% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.28 +/- 0.11  86.295% * 99.2899% (1.00  10.0 10.00   4.97 315.09) =  99.996%  kept
          HB2   PHE   45 - QD    LYS+  65  12.33 +/- 5.08   8.020% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    LYS+ 102  19.76 +/- 4.53   3.354% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD2   LYS+ 111  14.91 +/- 2.63   0.478% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  17.61 +/- 2.38   0.240% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  21.58 +/- 2.55   0.133% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.37 +/- 6.03   0.145% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.31 +/- 2.49   0.721% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.52 +/- 3.35   0.074% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  18.21 +/- 1.99   0.214% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.70 +/- 1.77   0.219% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.67 +/- 1.12   0.107% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.31 +/- 0.55  86.457% * 98.7339% (1.00 10.00   6.21 315.09) =  99.982%  kept
        T HA    LYS+ 111 - QD    LYS+  33  25.99 +/- 3.54   0.671% *  0.8848% (0.90 10.00   0.02   0.02) =   0.007%
        T HA    LYS+ 111 - QD    LYS+  65  17.26 +/- 2.63   2.255% *  0.2444% (0.25 10.00   0.02   0.02) =   0.006%
          HA    PRO   52 - HD3   LYS+ 111  15.22 +/- 5.07   4.342% *  0.0639% (0.65  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - QD    LYS+  65  15.90 +/- 3.61   5.712% *  0.0158% (0.16  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  33  26.17 +/- 2.90   0.562% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.972, support = 6.33, residual support = 300.0:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.17 +/- 0.30  34.013% * 83.2583% (1.00  10.0 10.00   6.62 315.09) =  95.212%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.21 +/- 0.83   9.857% * 13.6185% (0.44   1.0 10.00   0.75   0.30) =   4.513%  kept
          HB2   GLN   30 - QD    LYS+  33   5.57 +/- 0.94   9.742% *  0.6229% (0.20   1.0  1.00   0.75   0.30) =   0.204%  kept
          QB    GLU- 114 - HD3   LYS+ 111   5.89 +/- 1.63  10.201% *  0.0471% (0.57   1.0  1.00   0.02   1.81) =   0.016%
          QB    GLU-  15 - QD    LYS+  33   7.38 +/- 2.87   5.993% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.015%
          HB2   GLN   17 - QD    LYS+  33  10.23 +/- 2.70   5.080% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.013%
          HB2   GLN   17 - QD    LYS+  65  10.72 +/- 5.12  10.339% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE   19 - QD    LYS+  33   7.22 +/- 1.88   4.069% *  0.0363% (0.44   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   68 - QD    LYS+  33  15.87 +/- 3.62   1.102% *  0.0647% (0.78   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  14.07 +/- 2.28   0.617% *  0.1003% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  33  26.83 +/- 3.54   0.068% *  0.7461% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  65  18.51 +/- 2.40   0.200% *  0.2061% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD    LYS+  33  12.62 +/- 1.08   0.562% *  0.0669% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  28.59 +/- 4.17   0.062% *  0.4053% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65  10.20 +/- 1.19   1.164% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  33  15.77 +/- 3.14   0.566% *  0.0307% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  33  13.98 +/- 3.33   0.739% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  14.12 +/- 4.08   0.749% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65  10.60 +/- 1.12   1.038% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.86 +/- 2.27   0.864% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.56 +/- 5.49   0.106% *  0.0722% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  18.64 +/- 3.63   0.402% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.28 +/- 1.04   0.381% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.10 +/- 3.14   0.123% *  0.0422% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  29.02 +/- 4.60   0.059% *  0.0825% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  29.59 +/- 3.95   0.053% *  0.0825% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  30.80 +/- 4.97   0.054% *  0.0747% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.57 +/- 5.53   0.113% *  0.0342% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.26 +/- 1.88   0.296% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  27.01 +/- 4.41   0.079% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.70 +/- 3.62   0.166% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.42 +/- 1.96   0.529% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  14.74 +/- 1.96   0.378% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.91 +/- 3.86   0.065% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.64 +/- 3.64   0.051% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.07 +/- 2.04   0.120% *  0.0057% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.6:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.50 +/- 0.26  51.082% * 94.0188% (1.00  10.0 10.00   6.21 315.09) =  99.856%  kept
          HB2   LEU   31 - QD    LYS+  33   7.88 +/- 0.64   1.824% *  3.1343% (0.89   1.0  1.00   0.75   0.98) =   0.119%  kept
          QB    ALA  124 - QD    LYS+  33  20.93 +/- 6.35   8.006% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.008%
          HB3   ASP-  44 - QD    LYS+  65   9.36 +/- 3.26   5.169% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HD3   LYS+ 111  11.29 +/- 3.42   2.987% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   77 - HD3   LYS+ 111  15.01 +/- 3.59   5.238% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    LYS+  33   9.75 +/- 1.15   1.120% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  33  27.17 +/- 3.65   0.063% *  0.8425% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65   9.01 +/- 4.08  12.661% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+  33  14.06 +/- 3.24   0.506% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.77 +/- 0.85   1.928% *  0.0194% (0.21   1.0  1.00   0.02   3.70) =   0.001%
          HB3   ASP-  44 - HD3   LYS+ 111  16.53 +/- 3.29   0.536% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.09 +/- 2.64   0.156% *  0.2328% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.82 +/- 2.10   0.147% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.01 +/- 1.65   0.126% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+  33  13.91 +/- 3.30   0.541% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.35 +/- 2.81   0.269% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.15 +/- 4.47   2.362% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  21.96 +/- 5.33   0.205% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  15.24 +/- 3.32   0.391% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  18.90 +/- 3.25   0.205% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.33 +/- 2.02   0.247% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  14.98 +/- 3.85   0.662% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  19.84 +/- 5.50   0.177% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.24 +/- 3.04   0.355% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.52 +/- 1.92   0.141% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.19 +/- 3.84   0.978% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.53 +/- 4.13   0.060% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  17.40 +/- 4.34   0.486% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.30 +/- 2.30   0.218% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.71 +/- 3.72   0.056% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.81 +/- 3.48   0.105% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.00 +/- 3.01   0.149% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  20.99 +/- 2.68   0.105% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  17.12 +/- 3.32   0.218% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.90 +/- 2.57   0.095% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.04 +/- 1.81   0.184% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.36 +/- 3.75   0.030% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.67 +/- 2.20   0.212% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 314.2:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.69 +/- 0.32  59.048% * 90.2604% (1.00  10.0 10.00   5.40 315.09) =  99.681%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   9.04 +/- 1.47   1.999% *  7.4114% (0.38   1.0  1.00   4.38  29.02) =   0.277%  kept
        T HG2   LYS+  74 - QD    LYS+  65   7.98 +/- 2.87  15.179% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.024%
          HB3   LEU   71 - QD    LYS+  33   8.87 +/- 3.47   7.094% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  33  14.38 +/- 2.52   0.583% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QD    LYS+  33   9.48 +/- 3.78   4.373% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - QD    LYS+  33   7.43 +/- 1.95   4.668% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HD3   LYS+ 111  22.29 +/- 4.29   0.195% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.09 +/- 2.87   0.260% *  0.2235% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  33  27.43 +/- 3.15   0.066% *  0.8088% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  16.18 +/- 3.24   0.469% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD    LYS+  65  16.58 +/- 4.96   0.985% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  14.48 +/- 3.51   0.621% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.22 +/- 1.38   0.194% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  21.99 +/- 3.00   0.150% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  11.79 +/- 2.11   1.115% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.35 +/- 1.94   0.891% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.12 +/- 2.92   1.244% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.26 +/- 2.60   0.438% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  27.41 +/- 4.07   0.081% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.50 +/- 4.49   0.088% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  26.28 +/- 3.91   0.103% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  25.53 +/- 4.27   0.086% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  28.00 +/- 4.56   0.069% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.48 +/- 0.10  84.870% * 98.5534% (1.00  10.0 10.00   4.97 315.09) =  99.993%  kept
          HB2   PHE   45 - QD    LYS+  65  12.33 +/- 5.08  11.015% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.003%
        T QE    LYS+ 111 - QD    LYS+  33  25.10 +/- 3.65   0.116% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    LYS+  33  10.02 +/- 2.32   1.932% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  17.61 +/- 2.38   0.312% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.65 +/- 2.35   0.484% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  33  19.34 +/- 2.20   0.203% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.31 +/- 2.49   0.912% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.18 +/- 5.79   0.158% *  0.0558% (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 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.45 +/- 0.55  94.194% * 99.9354% (1.00 10.00   5.62 315.09) =  99.996%  kept
          HA    PRO   52 - QE    LYS+ 111  12.82 +/- 5.01   5.806% *  0.0646% (0.65  1.00   0.02   0.02) =   0.004%
    Distance limit 3.46 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.0:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.54 +/- 0.73  72.436% * 98.9314% (1.00 10.00   6.05 315.09) =  99.977%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.96 +/- 1.36  21.448% *  0.0560% (0.57  1.00   0.02   1.81) =   0.017%
        T HG3   GLN   30 - QE    LYS+ 111  24.95 +/- 3.78   0.392% *  0.4816% (0.49 10.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - QE    LYS+ 111  23.17 +/- 5.20   0.829% *  0.0858% (0.87  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QE    LYS+ 111  13.05 +/- 1.01   1.800% *  0.0220% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QE    LYS+ 111  25.33 +/- 4.37   0.374% *  0.0981% (0.99  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    LYS+ 111  26.77 +/- 4.74   0.382% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.31 +/- 5.15   0.834% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  25.96 +/- 3.78   0.301% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.55 +/- 4.13   0.536% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.37 +/- 3.59   0.398% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.59 +/- 3.24   0.271% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.76 +/- 0.53  82.257% * 99.2615% (1.00  10.0 10.00   5.62 315.09) =  99.991%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.50 +/- 3.06   8.420% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QE    LYS+ 111  13.31 +/- 3.16   2.339% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QE    LYS+ 111  14.29 +/- 2.91   1.264% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  16.39 +/- 3.09   0.724% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QE    LYS+ 111  14.04 +/- 2.84   1.333% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QE    LYS+ 111  19.14 +/- 4.37   0.488% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QE    LYS+ 111  12.94 +/- 3.07   1.973% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.04 +/- 3.71   0.205% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.98 +/- 3.37   0.203% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.77 +/- 1.56   0.320% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  20.36 +/- 3.01   0.370% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.60 +/- 3.40   0.103% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.992, support = 5.43, residual support = 311.4:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.50 +/- 0.45  85.061% * 91.1953% (1.00  10.0 10.00   5.44 315.09) =  98.713%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.57 +/- 1.94  12.225% *  8.2445% (0.38   1.0  1.00   4.82  29.02) =   1.283%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  19.30 +/- 3.87   0.716% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HG12  ILE   89 - QE    LYS+ 111  14.06 +/- 2.89   1.072% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QE    LYS+ 111  24.01 +/- 3.73   0.201% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.11 +/- 4.07   0.193% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.64 +/- 3.57   0.201% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.47 +/- 4.30   0.331% *  0.0180% (0.20   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 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.28 +/- 0.11  83.787% * 98.3525% (1.00  10.0 10.00   4.97 315.09) =  99.982%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.71 +/- 3.32  10.803% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.011%
          HB3   MET   92 - QE    LYS+ 111   9.89 +/- 3.22   3.497% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - QE    LYS+ 111  21.58 +/- 2.55   0.130% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    LYS+ 111  12.95 +/- 2.14   0.626% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  17.61 +/- 2.38   0.236% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.52 +/- 3.35   0.073% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.52 +/- 4.15   0.214% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.42 +/- 1.07   0.207% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.80 +/- 3.12   0.152% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  18.89 +/- 4.20   0.275% *  0.0195% (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 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.48 +/- 0.10  96.879% * 98.5544% (1.00  10.0 10.00   4.97 315.09) =  99.996%  kept
        T QD    LYS+  33 - QE    LYS+ 111  25.10 +/- 3.65   0.132% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+ 111  12.70 +/- 2.13   1.009% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  17.61 +/- 2.38   0.361% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+ 111  19.23 +/- 3.87   0.517% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.25 +/- 1.25   0.261% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  16.60 +/- 1.85   0.369% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  18.89 +/- 4.20   0.473% *  0.0195% (0.20   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 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.0:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.73 +/- 0.24  83.583% * 98.3538% (1.00  10.0 10.00   6.00 238.04) =  99.983%  kept
        T HB    VAL   42 - HA    LYS+ 112  15.60 +/- 2.14   0.735% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HA    LYS+ 112   8.32 +/- 3.07   9.884% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HA    LYS+ 112  15.02 +/- 1.88   0.703% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  16.82 +/- 2.57   0.521% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    LYS+ 112  18.77 +/- 3.90   0.495% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  11.91 +/- 2.21   2.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  15.53 +/- 2.50   0.568% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.55 +/- 2.40   0.145% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.41 +/- 1.24   0.465% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  26.38 +/- 2.95   0.123% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  17.48 +/- 1.59   0.396% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.81 +/- 1.96   0.261% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.41 +/- 4.22   0.118% *  0.0517% (0.53   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 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.0:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.10 +/- 0.62  90.810% * 99.8441% (1.00  10.0 10.00   6.08 238.04) =  99.992%  kept
          QG1   VAL   42 - HA    LYS+ 112  11.42 +/- 1.71   4.883% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   47 - HA    LYS+ 112  11.45 +/- 2.44   4.307% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.53 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.0:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.24 +/- 0.54  88.963% * 99.8009% (1.00  10.0 10.00   5.76 238.04) =  99.993%  kept
          HG    LEU   63 - HA    LYS+ 112  12.99 +/- 3.67   6.320% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - HA    LYS+ 112  10.06 +/- 0.89   3.480% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HA    LYS+ 112  19.81 +/- 3.09   0.503% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.40 +/- 2.23   0.733% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 6.15, residual support = 236.7:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.68 +/- 0.31  64.591% * 40.8059% (0.76  10.0 10.00   6.52 238.04) =  63.032%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.96 +/- 0.72  28.452% * 53.3949% (1.00   1.0 10.00   5.50 238.04) =  36.331%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.67 +/- 0.29   4.665% *  5.6870% (0.38   1.0  1.00   5.68  29.02) =   0.635%  kept
          QG2   THR   94 - HA    LYS+ 112  10.46 +/- 1.49   1.549% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HA    LYS+ 112  15.42 +/- 2.51   0.593% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.11 +/- 3.47   0.150% *  0.0529% (0.99   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 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.0:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.73 +/- 0.24  87.797% * 98.8850% (1.00  10.0 10.00   6.00 238.04) =  99.983%  kept
        T HA    LYS+ 112 - HB    VAL   42  15.60 +/- 2.14   0.773% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.007%
          HB2   HIS  122 - HB    VAL   42  14.06 +/- 6.38   8.034% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HB    THR   46 - HB2   LYS+ 112  12.37 +/- 3.26   1.750% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  12.15 +/- 0.97   1.123% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  15.50 +/- 1.61   0.523% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 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 = 0.837, support = 5.52, residual support = 155.7:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  62.193% * 40.6012% (0.70  10.0 10.00   4.52  88.48) =  55.011%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.60 +/- 0.26  35.800% * 57.6594% (1.00  10.0 10.00   6.74 238.04) =  44.969%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  12.58 +/- 2.43   0.931% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.010%
        T QB    ALA   47 - HB2   LYS+ 112  11.84 +/- 2.44   0.610% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+ 112 - HB    VAL   42  16.57 +/- 3.10   0.212% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   47 - HB    VAL   42  14.03 +/- 1.51   0.254% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.0:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.72 +/- 0.28  80.376% * 98.8037% (1.00  10.0 10.00   5.76 238.04) =  99.982%  kept
        T HG3   LYS+ 112 - HB    VAL   42  17.22 +/- 3.18   0.550% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   63 - HB    VAL   42   8.42 +/- 2.97   5.894% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   63 - HB2   LYS+ 112  13.94 +/- 3.68   4.309% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HB2   LYS+ 112  11.50 +/- 1.40   2.417% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42   9.44 +/- 2.41   2.946% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  11.48 +/- 2.05   1.644% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB    VAL   42  13.31 +/- 2.21   1.008% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   LYS+ 112  20.65 +/- 3.69   0.322% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.89 +/- 3.04   0.535% *  0.0246% (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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.811, support = 7.0, residual support = 237.7:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  80.073% * 40.4566% (0.76  10.0 10.00   7.21 238.04) =  79.886%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.54 +/- 0.61  15.279% * 52.9378% (1.00  10.0 10.00   6.20 238.04) =  19.947%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.29 +/- 0.51   1.170% *  5.5966% (0.38   1.0  1.00   5.63  29.02) =   0.161%  kept
        T HB3   LYS+ 112 - HB    VAL   42  17.03 +/- 3.20   0.194% *  0.3411% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HB    VAL   42   8.10 +/- 1.83   1.478% *  0.0442% (0.84   1.0  1.00   0.02   1.27) =   0.002%
        T HD2   LYS+ 112 - HB    VAL   42  17.41 +/- 3.06   0.117% *  0.4463% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  11.75 +/- 2.17   0.661% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.64 +/- 1.10   0.543% *  0.0357% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  23.28 +/- 3.92   0.053% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.71 +/- 3.01   0.182% *  0.0138% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  16.72 +/- 3.05   0.153% *  0.0163% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.06 +/- 3.02   0.097% *  0.0167% (0.32   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 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 238.0:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.10 +/- 0.62  93.662% * 99.8459% (1.00  10.0 10.00   6.08 238.04) =  99.995%  kept
          HB    THR   46 - HG2   LYS+ 112  12.04 +/- 3.67   4.966% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - HG2   LYS+ 112  14.89 +/- 1.80   1.372% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 238.0:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.60 +/- 0.26  86.813% * 98.3538% (1.00  10.0 10.00   6.74 238.04) =  99.988%  kept
        T HB    VAL   42 - HG2   LYS+ 112  16.57 +/- 3.10   0.527% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HG2   LYS+ 112   9.77 +/- 3.33   5.230% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HG2   LYS+ 112  12.77 +/- 3.16   3.879% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.93 +/- 2.63   0.520% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG2   LYS+ 112  19.52 +/- 5.09   0.455% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG2   LYS+ 112  16.43 +/- 3.47   0.892% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.03 +/- 2.64   0.408% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  16.47 +/- 1.83   0.451% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.11 +/- 3.24   0.112% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  27.12 +/- 4.13   0.103% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.74 +/- 2.47   0.299% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.22 +/- 2.75   0.202% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.56 +/- 5.36   0.108% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.0:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  96.234% * 99.8009% (1.00  10.0 10.00   6.98 238.04) =  99.997%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.33 +/- 3.83   3.206% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - HG2   LYS+ 112  11.96 +/- 1.26   0.363% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  20.55 +/- 3.99   0.091% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.86 +/- 2.97   0.106% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 6.77, residual support = 237.5:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.81 +/- 0.25  46.554% * 53.0062% (1.00  10.0 10.00   6.55 238.04) =  54.860%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.75 +/- 0.28  49.820% * 40.5088% (0.76  10.0 10.00   7.03 238.04) =  44.867%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.42 +/- 0.61   1.915% *  6.3737% (0.38   1.0  1.00   6.41  29.02) =   0.271%  kept
          QG2   THR   94 - HG2   LYS+ 112  11.94 +/- 2.07   1.126% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   LYS+ 112  22.63 +/- 4.39   0.145% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  16.85 +/- 3.49   0.441% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.0:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.24 +/- 0.54  94.526% * 99.8459% (1.00  10.0 10.00   5.76 238.04) =  99.996%  kept
          HB    THR   46 - HG3   LYS+ 112  12.61 +/- 3.89   4.272% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - HG3   LYS+ 112  15.66 +/- 1.77   1.201% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.0:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.72 +/- 0.28  83.515% * 98.3538% (1.00  10.0 10.00   5.76 238.04) =  99.986%  kept
        T HB    VAL   42 - HG3   LYS+ 112  17.22 +/- 3.18   0.561% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HG3   LYS+ 112  10.00 +/- 3.60   6.666% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HG3   LYS+ 112  13.39 +/- 3.40   5.399% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.29 +/- 2.44   0.670% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 112  17.75 +/- 3.02   0.564% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG3   LYS+ 112  20.25 +/- 5.24   0.542% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 112  16.76 +/- 3.36   0.686% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.54 +/- 3.14   0.145% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.01 +/- 2.07   0.442% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  27.85 +/- 4.22   0.113% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  19.24 +/- 2.46   0.362% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.81 +/- 2.64   0.210% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.15 +/- 5.51   0.126% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.0:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  98.719% * 99.8441% (1.00  10.0 10.00   6.98 238.04) =  99.999%  kept
          QB    ALA   47 - HG3   LYS+ 112  12.09 +/- 3.07   0.780% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  12.83 +/- 2.58   0.501% *  0.0834% (0.84   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 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.909, support = 6.13, residual support = 237.5:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.48 +/- 0.19  53.620% * 53.1832% (1.00  10.0 10.00   5.58 238.04) =  61.728%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.69 +/- 0.26  43.199% * 40.6441% (0.76  10.0  1.00   7.04 238.04) =  38.006%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.74 +/- 0.74   2.024% *  6.0610% (0.38   1.0  1.00   6.07  29.02) =   0.266%  kept
          QG2   THR   94 - HG3   LYS+ 112  12.22 +/- 1.91   0.670% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HG3   LYS+ 112  17.17 +/- 3.31   0.391% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.30 +/- 4.53   0.097% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 238.0:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.96 +/- 0.72  89.965% * 99.8459% (1.00 10.00   5.50 238.04) =  99.992%  kept
          HB    THR   46 - HD2   LYS+ 112  12.49 +/- 4.15   8.168% *  0.0646% (0.65  1.00   0.02   0.02) =   0.006%
          HB2   HIS  122 - HD2   LYS+ 112  15.69 +/- 2.13   1.866% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 238.0:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.54 +/- 0.61  69.712% * 98.3538% (1.00  10.0 10.00   6.20 238.04) =  99.966%  kept
        T HB    VAL   42 - HD2   LYS+ 112  17.41 +/- 3.06   1.033% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.014%
          HB3   PRO   93 - HD2   LYS+ 112  10.04 +/- 4.09  16.349% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.78 +/- 2.70   1.307% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HD2   LYS+ 112  17.05 +/- 3.06   1.143% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HD2   LYS+ 112  16.83 +/- 3.54   2.272% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HD2   LYS+ 112  20.21 +/- 4.96   0.925% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 112  13.47 +/- 3.16   4.412% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HD2   LYS+ 112  17.15 +/- 2.33   1.104% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  26.98 +/- 3.17   0.242% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  27.79 +/- 4.28   0.230% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  19.52 +/- 2.57   0.621% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  28.97 +/- 5.40   0.278% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.10 +/- 2.77   0.375% *  0.0335% (0.34   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 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.55, residual support = 238.0:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.81 +/- 0.25  94.699% * 99.8441% (1.00  10.0 10.00   6.55 238.04) =  99.996%  kept
          QB    ALA   47 - HD2   LYS+ 112  11.94 +/- 3.30   3.699% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HD2   LYS+ 112  13.05 +/- 2.47   1.603% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 238.0:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.48 +/- 0.19  89.275% * 99.8009% (1.00  10.0 10.00   5.58 238.04) =  99.991%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.73 +/- 4.25   9.350% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          QG2   VAL  108 - HD2   LYS+ 112  12.48 +/- 1.46   0.836% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  20.91 +/- 4.38   0.281% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.81 +/- 3.00   0.260% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.04 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  14.38) = 100.000%  kept
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T HA    ASP- 113 - QB    ASP- 113   2.42 +/- 0.13  97.323% * 99.1713% (1.00  10.0 10.00   2.00  14.38) =  99.994%  kept
        T HA    PHE   59 - QB    ASP- 113  12.54 +/- 1.05   0.768% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   56 - QB    ASP- 113  11.29 +/- 1.83   1.213% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    ASP- 113  14.69 +/- 0.85   0.461% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.67 +/- 2.40   0.159% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.33 +/- 2.57   0.076% *  0.0681% (0.69   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 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 = 0.887, support = 3.55, residual support = 50.0:
    * O T QB    GLU- 114 - HA    GLU- 114   2.21 +/- 0.07  52.325% * 56.5460% (0.97  10.0 10.00   3.29  42.70) =  88.822%  kept
        T QB    GLU- 114 - HA    LEU  115   4.46 +/- 0.29   6.817% * 26.0231% (0.44   1.0 10.00   5.29  21.36) =   5.326%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.71 +/- 0.22  29.757% *  5.3364% (0.09  10.0 10.00   6.33 225.45) =   4.767%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.72 +/- 0.30   3.095% * 11.5954% (0.20   1.0 10.00   4.39  21.36) =   1.077%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.86 +/- 1.39   4.424% *  0.0425% (0.73   1.0  1.00   0.02   1.81) =   0.006%
          HB2   LYS+ 111 - HA    LEU  115   7.62 +/- 1.48   1.746% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLU- 114  29.44 +/- 4.88   0.110% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.20 +/- 4.59   0.075% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.49 +/- 3.88   0.070% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.25 +/- 1.79   0.560% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.71 +/- 3.98   0.135% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.49 +/- 1.97   0.222% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.88 +/- 3.13   0.098% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  26.48 +/- 4.15   0.086% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  25.99 +/- 4.23   0.046% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  26.81 +/- 3.19   0.034% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  22.28 +/- 3.70   0.070% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  23.39 +/- 4.24   0.061% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.76 +/- 3.65   0.115% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  23.77 +/- 2.75   0.048% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.15 +/- 3.39   0.044% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.70 +/- 2.87   0.063% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.832, support = 3.94, residual support = 36.1:
    * O T QG    GLU- 114 - HA    GLU- 114   3.22 +/- 0.28  48.139% * 68.1764% (1.00  10.0 10.00   3.54  42.70) =  69.280%  kept
        T QG    GLU- 114 - HA    LEU  115   3.47 +/- 0.85  46.376% * 31.3756% (0.46   1.0 10.00   4.85  21.36) =  30.716%  kept
          HG2   MET   92 - HA    GLU- 114  14.84 +/- 3.26   0.873% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  13.57 +/- 2.88   1.191% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  15.06 +/- 2.50   0.603% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    LEU  115  12.71 +/- 2.51   1.121% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    GLU- 114  22.30 +/- 3.81   0.228% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  30.61 +/- 5.31   0.427% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  19.23 +/- 3.24   0.356% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  27.69 +/- 4.73   0.391% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  32.66 +/- 3.28   0.056% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  29.71 +/- 2.91   0.070% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.61 +/- 4.88   0.071% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.68 +/- 4.37   0.097% *  0.0107% (0.16   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.94, support = 3.45, residual support = 40.9:
    * O T HA    GLU- 114 - QB    GLU- 114   2.21 +/- 0.07  86.817% * 59.0968% (0.97  10.0 10.00   3.29  42.70) =  91.580%  kept
        T HA    LEU  115 - QB    GLU- 114   4.46 +/- 0.29  11.619% * 40.5940% (0.66   1.0 10.00   5.29  21.36) =   8.419%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.76 +/- 1.07   0.313% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - QB    GLU- 114  25.24 +/- 4.16   0.287% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  12.12 +/- 1.73   0.657% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  22.25 +/- 2.29   0.096% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.58 +/- 2.93   0.129% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  23.59 +/- 2.31   0.082% *  0.0494% (0.81   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 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 = 3.82, residual support = 42.7:
    * O T QG    GLU- 114 - QB    GLU- 114   2.10 +/- 0.04  97.848% * 99.1187% (0.96  10.0 10.00   3.82  42.70) =  99.996%  kept
        T HG3   GLU-  25 - QB    GLU- 114  26.81 +/- 4.83   0.413% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    GLU- 114  12.08 +/- 2.99   0.860% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  13.00 +/- 2.85   0.606% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  19.18 +/- 3.26   0.184% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  29.08 +/- 2.95   0.043% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.05 +/- 4.29   0.045% *  0.0339% (0.33   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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.873, support = 4.06, residual support = 34.2:
    * O T HA    GLU- 114 - QG    GLU- 114   3.22 +/- 0.28  49.156% * 59.1519% (1.00  10.0 10.00   3.54  42.70) =  60.183%  kept
        T HA    LEU  115 - QG    GLU- 114   3.47 +/- 0.85  47.342% * 40.6319% (0.69   1.0 10.00   4.85  21.36) =  39.815%  kept
          HA    THR   26 - QG    GLU- 114  24.28 +/- 3.89   0.491% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG    GLU- 114  10.94 +/- 1.91   1.694% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.67 +/- 2.56   0.257% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  21.67 +/- 1.89   0.165% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.68 +/- 2.24   0.164% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.61 +/- 1.27   0.731% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.949, support = 3.8, residual support = 41.8:
    * O T QB    GLU- 114 - QG    GLU- 114   2.10 +/- 0.04  59.213% * 90.4161% (0.96  10.0 10.00   3.82  42.70) =  97.135%  kept
          HB2   LEU  115 - QG    GLU- 114   3.73 +/- 0.91  15.789% *  5.0055% (0.20   1.0  1.00   5.40  21.36) =   1.434%  kept
          HB2   LYS+ 111 - QG    GLU- 114   4.13 +/- 1.67  23.828% *  3.3023% (0.72   1.0  1.00   0.97   1.81) =   1.428%  kept
        T HB3   GLU-  25 - QG    GLU- 114  24.86 +/- 3.95   0.161% *  0.8863% (0.94   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - QG    GLU- 114  20.60 +/- 3.58   0.163% *  0.0865% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.76 +/- 4.21   0.125% *  0.0813% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  12.53 +/- 1.67   0.376% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  22.18 +/- 4.15   0.090% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.73 +/- 4.01   0.112% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  23.05 +/- 3.28   0.057% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.08 +/- 3.15   0.086% *  0.0127% (0.14   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 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 = 0.632, support = 5.74, residual support = 185.5:
    * O T HB2   LEU  115 - HA    LEU  115   2.71 +/- 0.22  23.151% * 53.4328% (0.84  10.0 10.00   6.33 225.45) =  70.917%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.65 +/- 0.24  24.354% *  8.3296% (0.13  10.0  1.00   4.76 169.52) =  11.630%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.21 +/- 0.07  40.380% *  4.5123% (0.07  10.0 10.00   3.29  42.70) =  10.446%  kept
        T QB    GLU- 114 - HA    LEU  115   4.46 +/- 0.29   5.245% * 16.4919% (0.26   1.0 10.00   5.29  21.36) =   4.959%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.72 +/- 0.30   2.394% * 14.6195% (0.23   1.0 10.00   4.39  21.36) =   2.006%  kept
        T HB2   LEU  115 - HA    ARG+  54  11.87 +/- 1.14   0.280% *  2.1940% (0.47   1.0 10.00   0.15   0.02) =   0.035%
          HG3   PRO   58 - HA    ARG+  54   8.17 +/- 1.79   2.061% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - HA    LEU  115  11.25 +/- 1.79   0.424% *  0.0533% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLU- 114 - HA    ARG+  54  14.76 +/- 1.07   0.143% *  0.0925% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LEU  115  16.69 +/- 3.00   0.134% *  0.0428% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  19.53 +/- 5.39   0.217% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  17.57 +/- 3.39   0.118% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  18.49 +/- 3.48   0.101% *  0.0281% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.71 +/- 3.98   0.106% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.49 +/- 1.97   0.169% *  0.0146% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.90 +/- 1.11   0.138% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  18.47 +/- 3.86   0.106% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.88 +/- 3.13   0.075% *  0.0201% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  20.91 +/- 3.32   0.078% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  20.49 +/- 3.41   0.068% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  22.13 +/- 3.84   0.060% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.20 +/- 4.59   0.059% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.52 +/- 1.29   0.087% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.49 +/- 3.88   0.053% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.489, support = 6.32, residual support = 219.5:
    * O T HG    LEU  115 - HA    LEU  115   3.50 +/- 0.41  22.139% * 56.2178% (0.72  10.0 10.00   6.20 225.45) =  50.106%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.37 +/- 0.21  58.367% * 20.0033% (0.26  10.0 10.00   6.61 225.45) =  47.003%  kept
        T HG    LEU  115 - HA    GLU- 114   6.54 +/- 0.83   3.320% * 15.3815% (0.20   1.0 10.00   3.93  21.36) =   2.056%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.23 +/- 0.36   3.626% *  5.4730% (0.07   1.0 10.00   3.79  21.36) =   0.799%  kept
        T HG    LEU  115 - HA    ARG+  54  11.51 +/- 1.19   0.561% *  0.3152% (0.41   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   LEU   40 - HA    LEU  115  18.39 +/- 2.64   0.208% *  0.6424% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - HA    LEU  115   7.45 +/- 0.52   2.204% *  0.0562% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU   67 - HA    LEU  115  16.85 +/- 3.14   0.267% *  0.2664% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  115 - HA    ARG+  54  11.80 +/- 1.35   0.522% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HA    LEU  115  16.71 +/- 2.47   0.274% *  0.2000% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   26 - HA    LEU  115  20.37 +/- 3.36   0.188% *  0.2211% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   40 - HA    ARG+  54  22.32 +/- 4.04   0.107% *  0.3602% (0.46   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HA    GLU- 114   7.41 +/- 0.50   2.184% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HA    ARG+  54  17.73 +/- 3.18   0.199% *  0.1494% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    ARG+  54  14.14 +/- 2.79   0.654% *  0.0315% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  21.19 +/- 2.56   0.116% *  0.1758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  20.42 +/- 3.49   0.138% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   9.96 +/- 1.04   0.997% *  0.0144% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    GLU- 114  23.19 +/- 3.95   0.176% *  0.0605% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  17.32 +/- 3.67   0.269% *  0.0393% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  16.70 +/- 3.78   0.364% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  19.76 +/- 2.40   0.143% *  0.0547% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  16.91 +/- 3.93   0.853% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  12.05 +/- 2.03   0.973% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.97 +/- 2.63   0.377% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  16.40 +/- 1.72   0.202% *  0.0180% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  20.10 +/- 4.03   0.193% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.15 +/- 4.07   0.147% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  20.56 +/- 3.54   0.136% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  20.60 +/- 1.70   0.096% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 6.19, residual support = 212.7:
    *   T QD1   LEU  115 - HA    LEU  115   3.67 +/- 0.75  70.037% * 75.3200% (0.84 10.00   6.33 225.45) =  93.824%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.46 +/- 0.55  15.310% * 20.6080% (0.23 10.00   4.36  21.36) =   5.612%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.82 +/- 1.45   7.970% *  3.9414% (0.47 10.00   0.19   0.02) =   0.559%  kept
          QG1   VAL   75 - HA    LEU  115  11.69 +/- 1.62   3.116% *  0.0712% (0.79  1.00   0.02   0.02) =   0.004%
          QG1   VAL   75 - HA    ARG+  54  13.11 +/- 2.00   2.180% *  0.0399% (0.44  1.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    GLU- 114  14.60 +/- 1.96   1.387% *  0.0195% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.774, support = 7.38, residual support = 214.0:
    *   T QD2   LEU  115 - HA    LEU  115   3.30 +/- 0.36  51.875% * 74.2249% (0.81 10.00   7.58 225.45) =  94.445%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.95 +/- 0.58  10.286% * 20.3083% (0.22 10.00   4.40  21.36) =   5.124%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.84 +/- 1.14   3.332% *  4.8621% (0.45 10.00   0.23   0.02) =   0.397%  kept
          QD1   LEU   63 - HA    LEU  115  10.31 +/- 3.17   5.320% *  0.0728% (0.79  1.00   0.02   0.02) =   0.009%
          QD1   LEU   63 - HA    ARG+  54  10.42 +/- 3.13   6.613% *  0.0408% (0.44  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - HA    LEU  115  17.29 +/- 3.28   2.029% *  0.0728% (0.79  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HA    LEU  115  10.47 +/- 3.05   4.680% *  0.0289% (0.31  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - HA    LEU  115  15.29 +/- 3.15   1.457% *  0.0728% (0.79  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HA    LEU  115  13.82 +/- 2.91   0.997% *  0.0588% (0.64  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    ARG+  54  11.59 +/- 3.02   2.424% *  0.0162% (0.18  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  17.64 +/- 3.97   0.799% *  0.0408% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ARG+  54  19.58 +/- 3.68   0.967% *  0.0330% (0.36  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114  13.48 +/- 3.44   1.576% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    GLU- 114  19.63 +/- 3.81   1.295% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU  115  16.22 +/- 2.55   1.075% *  0.0237% (0.26  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    ARG+  54  16.67 +/- 2.49   0.593% *  0.0408% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  18.10 +/- 3.44   0.687% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  13.60 +/- 3.48   1.693% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  15.29 +/- 2.51   0.717% *  0.0161% (0.17  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  18.41 +/- 3.38   0.548% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  18.22 +/- 3.21   1.038% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.813, support = 6.24, residual support = 216.2:
    * O T HA    LEU  115 - HB2   LEU  115   2.71 +/- 0.22  87.573% * 70.2377% (0.84  10.0 10.00   6.33 225.45) =  95.485%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.72 +/- 0.30  10.105% * 28.6837% (0.34   1.0 10.00   4.39  21.36) =   4.500%  kept
        T HA    ARG+  54 - HB2   LEU  115  11.87 +/- 1.14   1.177% *  0.7762% (0.92   1.0 10.00   0.02   0.02) =   0.014%
          HA    ALA  124 - HB2   LEU  115  17.74 +/- 0.96   0.338% *  0.0702% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.14 +/- 1.95   0.169% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  19.71 +/- 2.47   0.300% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.86 +/- 1.71   0.140% *  0.0578% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  24.61 +/- 2.50   0.126% *  0.0409% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  29.57 +/- 1.68   0.072% *  0.0260% (0.31   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 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.565, support = 6.2, residual support = 225.4:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  75.502% * 25.8976% (0.31  10.0 10.00   6.28 225.45) =  54.032%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.69 +/- 0.28  22.853% * 72.7830% (0.87  10.0 10.00   6.10 225.45) =  45.964%  kept
        T HB3   LEU   40 - HB2   LEU  115  19.03 +/- 1.96   0.071% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HB2   LEU  115   8.79 +/- 0.77   0.669% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  17.26 +/- 1.72   0.092% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   LEU  115  17.02 +/- 3.64   0.210% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.98 +/- 0.98   0.259% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.74 +/- 3.01   0.129% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.84 +/- 2.02   0.134% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.36 +/- 3.29   0.081% *  0.0286% (0.34   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 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 225.4:
    * O T QD1   LEU  115 - HB2   LEU  115   2.48 +/- 0.32  98.069% * 99.9055% (1.00  10.0 10.00   6.11 225.45) =  99.998%  kept
          QG1   VAL   75 - HB2   LEU  115  11.45 +/- 1.70   1.931% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.23, residual support = 225.4:
    * O T QD2   LEU  115 - HB2   LEU  115   2.71 +/- 0.47  85.105% * 99.5578% (0.97  10.0 10.00   7.23 225.45) =  99.988%  kept
          QD1   LEU   63 - HB2   LEU  115  10.03 +/- 3.17   5.431% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB2   LEU  115  10.38 +/- 3.03   6.460% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - HB2   LEU  115  15.40 +/- 2.70   1.211% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   LEU  115  14.84 +/- 2.08   0.714% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  17.12 +/- 3.06   0.512% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  16.27 +/- 2.51   0.567% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.69, support = 6.02, residual support = 209.1:
    * O T HA    LEU  115 - HG    LEU  115   3.50 +/- 0.41  68.931% * 69.7478% (0.72  10.0 10.00   6.20 225.45) =  92.008%  kept
        T HA    GLU- 114 - HG    LEU  115   6.54 +/- 0.83  14.570% * 28.4836% (0.30   1.0 10.00   3.93  21.36) =   7.942%  kept
        T HA    ARG+  54 - HG    LEU  115  11.51 +/- 1.19   2.433% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.036%
        T HA    ARG+  54 - HG    LEU   40  20.42 +/- 3.49   0.797% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU  115 - HG    LEU   40  16.71 +/- 2.47   0.857% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   34 - HG    LEU   40   9.20 +/- 0.68   4.256% *  0.0195% (0.20   1.0  1.00   0.02   0.40) =   0.002%
          HA    ALA  124 - HG    LEU  115  16.84 +/- 1.30   0.689% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 114 - HG    LEU   40  19.76 +/- 2.40   0.469% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  13.14 +/- 3.97   2.152% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  14.42 +/- 1.59   1.201% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  23.00 +/- 2.44   0.272% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  20.65 +/- 7.36   0.757% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.51 +/- 2.15   0.264% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  20.25 +/- 2.95   0.438% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.22 +/- 0.84   1.209% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  24.78 +/- 2.87   0.224% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  21.75 +/- 2.05   0.344% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.21 +/- 2.19   0.136% *  0.0258% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.863, support = 6.08, residual support = 223.9:
    * O T HB2   LEU  115 - HG    LEU  115   2.69 +/- 0.28  73.794% * 92.2028% (0.87  10.0 10.00   6.10 225.45) =  99.263%  kept
          QB    GLU- 114 - HG    LEU  115   6.11 +/- 0.75   7.856% *  6.1610% (0.27   1.0  1.00   4.33  21.36) =   0.706%  kept
        T HB2   LEU   67 - HG    LEU   40   8.59 +/- 2.45   4.281% *  0.2508% (0.24   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   LEU   67 - HG    LEU  115  16.36 +/- 2.77   0.538% *  0.7383% (0.69   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   58 - HG    LEU  115   9.87 +/- 1.81   3.645% *  0.0920% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU  115 - HG    LEU   40  17.26 +/- 1.72   0.377% *  0.3132% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   18 - HG    LEU   40  10.98 +/- 3.71   2.776% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HG    LEU  115  17.80 +/- 4.01   0.539% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.45 +/- 2.35   2.203% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.58 +/- 1.63   1.665% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.96 +/- 1.25   0.733% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  18.54 +/- 3.76   0.375% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  18.18 +/- 3.31   0.380% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  20.46 +/- 3.48   0.266% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  17.55 +/- 2.11   0.373% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  22.29 +/- 3.73   0.198% *  0.0087% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.98, residual support = 225.4:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  97.199% * 99.5358% (0.87  10.0 10.00   5.98 225.45) =  99.997%  kept
        T QD1   LEU  115 - HG    LEU   40  13.99 +/- 1.86   0.411% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU  115  11.52 +/- 2.28   0.905% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  10.80 +/- 1.66   1.486% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.07, residual support = 225.4:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  80.367% * 99.0740% (0.84  10.0 10.00   7.07 225.45) =  99.989%  kept
          QD1   LEU   63 - HG    LEU  115   9.56 +/- 2.93   2.611% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HG    LEU   40   7.28 +/- 3.49   5.041% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HG    LEU   40  13.85 +/- 2.09   0.384% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HG    LEU  115   9.94 +/- 2.71   2.246% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.04 +/- 2.03   2.454% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU   40   8.73 +/- 2.06   2.340% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   7.97 +/- 2.14   2.921% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  15.41 +/- 2.67   0.330% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  17.47 +/- 3.30   0.307% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.96 +/- 2.46   0.273% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  16.14 +/- 2.80   0.229% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  16.75 +/- 2.68   0.228% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.39 +/- 2.96   0.268% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.796, support = 6.1, residual support = 206.5:
    *   T HA    LEU  115 - QD1   LEU  115   3.67 +/- 0.75  71.485% * 65.9703% (0.84 10.00   6.33 225.45) =  90.821%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.46 +/- 0.55  15.627% * 26.9410% (0.34 10.00   4.36  21.36) =   8.108%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.82 +/- 1.45   8.137% *  6.8047% (0.92 10.00   0.19   0.02) =   1.066%  kept
          HA    ALA  124 - QD1   LEU  115  14.73 +/- 1.09   1.305% *  0.0660% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD1   LEU  115  18.88 +/- 1.94   0.716% *  0.0685% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  16.54 +/- 2.75   1.337% *  0.0325% (0.41  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  19.32 +/- 1.56   0.597% *  0.0543% (0.69  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  20.76 +/- 2.70   0.493% *  0.0384% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.12 +/- 1.59   0.303% *  0.0244% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 6.08, residual support = 223.3:
    * O T HB2   LEU  115 - QD1   LEU  115   2.48 +/- 0.32  79.490% * 90.2733% (1.00  10.0 10.00   6.11 225.45) =  98.970%  kept
          QB    GLU- 114 - QD1   LEU  115   5.83 +/- 0.56   7.983% *  6.9397% (0.31   1.0  1.00   4.98  21.36) =   0.764%  kept
          HG3   PRO   58 - QD1   LEU  115   7.63 +/- 1.79   7.423% *  2.5677% (1.00   1.0  1.00   0.57   0.02) =   0.263%  kept
          HB2   LEU   67 - QD1   LEU  115  13.08 +/- 2.27   1.596% *  0.0723% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   18 - QD1   LEU  115  14.36 +/- 3.28   1.099% *  0.0475% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115  10.06 +/- 1.64   1.395% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.03 +/- 3.30   0.617% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.63 +/- 2.58   0.397% *  0.0339% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.76, support = 6.06, residual support = 225.4:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  57.126% * 72.7830% (0.87  10.0 10.00   5.98 225.45) =  80.826%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.46 +/- 0.27  38.070% * 25.8976% (0.31  10.0 10.00   6.39 225.45) =  19.166%  kept
        T HB3   LEU   40 - QD1   LEU  115  15.47 +/- 2.14   0.181% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU  115   7.77 +/- 0.94   1.466% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - QD1   LEU  115  13.99 +/- 1.86   0.248% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD1   LEU  115  13.46 +/- 3.02   1.130% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  115  10.15 +/- 1.35   0.771% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  13.22 +/- 2.31   0.386% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  12.21 +/- 1.76   0.443% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.39 +/- 2.85   0.180% *  0.0286% (0.34   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 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.34, residual support = 225.4:
    * O T QD2   LEU  115 - QD1   LEU  115   2.05 +/- 0.05  80.524% * 99.5578% (0.97  10.0 10.00   7.34 225.45) =  99.983%  kept
          QD1   LEU   63 - QD1   LEU  115   7.50 +/- 2.54   9.009% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.011%
          QD2   LEU   63 - QD1   LEU  115   7.91 +/- 2.42   8.678% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - QD1   LEU  115  12.49 +/- 2.19   0.571% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD1   LEU  115  14.23 +/- 2.79   0.408% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.63 +/- 2.21   0.445% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  13.77 +/- 2.37   0.365% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.771, support = 7.28, residual support = 208.3:
    *   T HA    LEU  115 - QD2   LEU  115   3.30 +/- 0.36  76.166% * 64.8590% (0.81 10.00   7.58 225.45) =  91.671%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.95 +/- 0.58  15.393% * 26.4872% (0.33 10.00   4.40  21.36) =   7.566%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.84 +/- 1.14   4.892% *  8.3745% (0.89 10.00   0.23   0.02) =   0.760%  kept
          HA    ALA  124 - QD2   LEU  115  13.01 +/- 0.95   1.346% *  0.0649% (0.81  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD2   LEU  115  18.83 +/- 1.87   0.487% *  0.0674% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  19.15 +/- 1.91   0.452% *  0.0533% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  17.14 +/- 1.92   0.674% *  0.0319% (0.40  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  20.60 +/- 2.66   0.368% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.90 +/- 2.09   0.222% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.959, support = 7.19, residual support = 223.0:
    * O T HB2   LEU  115 - QD2   LEU  115   2.71 +/- 0.47  78.011% * 90.3637% (0.97  10.0 10.00   7.23 225.45) =  98.834%  kept
          QB    GLU- 114 - QD2   LEU  115   5.88 +/- 0.44   9.510% *  6.8991% (0.30   1.0  1.00   4.95  21.36) =   0.920%  kept
          HG3   PRO   58 - QD2   LEU  115   7.03 +/- 1.37   6.894% *  2.5178% (0.96   1.0  1.00   0.56   0.02) =   0.243%  kept
          HB2   LEU   67 - QD2   LEU  115  13.18 +/- 2.30   0.904% *  0.0724% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD2   LEU  115  10.15 +/- 1.05   2.025% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  14.25 +/- 3.08   1.010% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  14.94 +/- 3.28   0.792% *  0.0405% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.47 +/- 2.74   0.855% *  0.0339% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.748, support = 7.13, residual support = 224.9:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  60.742% * 69.6153% (0.84  10.0 10.00   7.07 225.45) =  83.307%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.72 +/- 0.46  33.730% * 24.7704% (0.30  10.0 10.00   7.49 225.45) =  16.460%  kept
          QB    ALA  120 - QD2   LEU  115   6.35 +/- 0.73   2.596% *  4.4219% (0.84   1.0  1.00   1.27   0.02) =   0.226%  kept
        T HB3   LEU   40 - QD2   LEU  115  15.26 +/- 2.45   0.235% *  0.7954% (0.96   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - QD2   LEU  115  13.85 +/- 2.09   0.292% *  0.2477% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU  115  13.60 +/- 2.89   0.641% *  0.0487% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   8.91 +/- 0.68   0.850% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  13.35 +/- 2.12   0.330% *  0.0330% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  12.32 +/- 1.49   0.372% *  0.0223% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.31 +/- 2.92   0.211% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.34, residual support = 225.4:
    * O T QD1   LEU  115 - QD2   LEU  115   2.05 +/- 0.05  98.677% * 99.9055% (0.97  10.0 10.00   7.34 225.45) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115   9.64 +/- 1.69   1.323% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.54 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 = 5.3, residual support = 112.5:
    * O T HB2   GLN  116 - HA    GLN  116   2.88 +/- 0.18  93.764% * 98.6426% (1.00  10.0 10.00   5.30 112.53) =  99.994%  kept
          HB2   PRO   58 - HA    GLN  116   9.45 +/- 2.03   4.300% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    GLN  116  24.88 +/- 3.67   0.181% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  14.41 +/- 4.10   1.239% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  25.41 +/- 2.66   0.168% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  20.00 +/- 3.18   0.349% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 112.5:
    * O T HG2   GLN  116 - HA    GLN  116   2.66 +/- 0.48  96.090% * 99.8732% (1.00  10.0 10.00   4.90 112.53) =  99.996%  kept
          HB3   PHE   95 - HA    GLN  116  10.26 +/- 2.78   3.595% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  25 - HA    GLN  116  27.73 +/- 5.09   0.315% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 112.5:
    * O T HA    GLN  116 - HB2   GLN  116   2.88 +/- 0.18  97.032% * 98.1197% (1.00  10.0 10.00   5.30 112.53) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLN  116  29.04 +/- 3.17   0.120% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   GLN  116  28.40 +/- 3.29   0.130% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  20.47 +/- 3.20   0.442% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  18.07 +/- 4.40   1.427% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  21.31 +/- 3.87   0.364% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  26.27 +/- 3.88   0.162% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.85 +/- 2.86   0.137% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  24.96 +/- 3.94   0.186% *  0.0194% (0.20   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 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 = 5.46, residual support = 112.5:
    * O T HG2   GLN  116 - HB2   GLN  116   2.64 +/- 0.22  98.246% * 99.8732% (1.00  10.0 10.00   5.46 112.53) =  99.998%  kept
          HB3   PHE   95 - HB2   GLN  116  11.49 +/- 1.83   1.394% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HB2   GLN  116  29.05 +/- 5.51   0.360% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 112.5:
    * O T HA    GLN  116 - HG2   GLN  116   2.66 +/- 0.48  97.420% * 99.5202% (1.00  10.0 10.00   4.90 112.53) =  99.999%  kept
          HA    VAL   70 - HG2   GLN  116  20.18 +/- 3.25   0.308% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  17.74 +/- 4.36   1.173% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  20.85 +/- 3.47   0.310% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  26.40 +/- 4.36   0.286% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.70 +/- 3.23   0.096% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  28.16 +/- 3.18   0.105% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  26.48 +/- 3.13   0.129% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  24.51 +/- 3.75   0.173% *  0.0197% (0.20   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 112.5:
    * O T HB2   GLN  116 - HG2   GLN  116   2.64 +/- 0.22  96.259% * 99.6852% (1.00  10.0 10.00   5.46 112.53) =  99.998%  kept
          HB2   PRO   58 - HG2   GLN  116  10.11 +/- 2.21   2.560% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG2   GLN  116  16.01 +/- 3.76   0.614% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG2   GLN  116  20.70 +/- 4.04   0.333% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  26.45 +/- 3.45   0.116% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  26.63 +/- 2.76   0.118% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 15.3:
    * O T QB    SER  117 - HA    SER  117   2.40 +/- 0.09  85.625% * 93.0957% (1.00  10.0 10.00   1.27  15.38) =  99.597%  kept
          HA    ALA  120 - HA    SER  117   5.59 +/- 0.29   7.011% *  2.8705% (0.41   1.0  1.00   1.50   5.54) =   0.251%  kept
          HA    LYS+ 121 - HA    SER  117   7.32 +/- 1.17   4.845% *  2.3110% (0.84   1.0  1.00   0.59   0.02) =   0.140%  kept
        T QB    SER   48 - HA    SER  117  19.53 +/- 4.89   1.179% *  0.6022% (0.65   1.0 10.00   0.02   0.02) =   0.009%
        T HA2   GLY   51 - HA    SER  117  19.85 +/- 2.63   0.182% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HA    SER  117  13.30 +/- 2.06   0.621% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.02 +/- 2.02   0.342% *  0.0711% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  23.09 +/- 2.73   0.118% *  0.1436% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  26.17 +/- 3.69   0.077% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.27, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.40 +/- 0.09  90.262% * 99.1287% (1.00  10.0 10.00   1.27  15.38) =  99.993%  kept
        T HA    SER  117 - QB    SER   48  19.53 +/- 4.89   1.240% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.004%
        T HA1   GLY   51 - QB    SER   48   8.70 +/- 0.71   1.996% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   26 - QB    SER  117  24.09 +/- 4.87   0.863% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  17.65 +/- 1.82   0.250% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  14.19 +/- 1.06   0.459% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  13.65 +/- 4.13   1.628% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.22 +/- 1.43   0.634% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  23.09 +/- 2.73   0.124% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  18.02 +/- 4.26   0.584% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.86 +/- 2.48   1.169% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  20.39 +/- 3.41   0.200% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  19.82 +/- 5.30   0.251% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  21.00 +/- 3.54   0.191% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.57 +/- 2.87   0.148% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.73, residual support = 268.3:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.02  90.966% * 99.2403% (0.87  10.0 10.00   6.73 268.29) =  99.993%  kept
          HB2   ARG+  54 - HA    ILE  119  15.14 +/- 3.15   1.493% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE  119  17.99 +/- 4.60   1.038% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  15.36 +/- 3.90   1.076% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    ILE  119  20.87 +/- 4.19   0.795% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    ILE  119  21.29 +/- 4.04   0.572% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  13.57 +/- 1.34   1.080% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ILE  119  13.09 +/- 2.31   1.633% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ILE  119  22.86 +/- 6.28   0.348% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  20.30 +/- 3.55   0.399% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  21.93 +/- 3.05   0.297% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  26.06 +/- 4.78   0.303% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 268.3:
    * O T QG2   ILE  119 - HA    ILE  119   2.47 +/- 0.13  89.961% * 99.7168% (1.00  10.0 10.00   6.94 268.29) =  99.996%  kept
          QD2   LEU   71 - HA    ILE  119  15.94 +/- 3.35   1.081% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    ILE  119  15.69 +/- 5.17   0.897% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  119  12.57 +/- 3.82   3.629% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119  12.74 +/- 5.02   2.820% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  13.57 +/- 5.11   1.255% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  17.60 +/- 3.39   0.358% *  0.0374% (0.38   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 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 268.3:
    * O T HG12  ILE  119 - HA    ILE  119   2.68 +/- 0.32  89.215% * 99.4466% (1.00  10.0 10.00   7.21 268.29) =  99.994%  kept
          HB2   ASP- 105 - HA    ILE  119  11.80 +/- 6.85   4.404% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HA    ILE  119  12.52 +/- 3.11   1.858% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    ILE  119  15.15 +/- 3.72   1.134% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ILE  119  17.83 +/- 3.90   1.117% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ILE  119  19.37 +/- 2.37   0.279% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.10 +/- 4.52   0.212% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  18.70 +/- 3.75   1.037% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  23.10 +/- 2.97   0.209% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  21.60 +/- 3.31   0.237% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  28.49 +/- 4.88   0.297% *  0.0153% (0.15   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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 6.93, residual support = 266.5:
    * O T HG13  ILE  119 - HA    ILE  119   2.95 +/- 0.55  66.149% * 94.0355% (1.00  10.0 10.00   6.96 268.29) =  99.324%  kept
          HG2   LYS+ 121 - HA    ILE  119   6.88 +/- 0.19   6.369% *  5.0236% (0.31   1.0  1.00   3.46   8.54) =   0.511%  kept
          QG1   VAL  107 - HA    ILE  119   7.67 +/- 4.02  14.623% *  0.6798% (0.15   1.0  1.00   0.94   0.02) =   0.159%  kept
          HD3   LYS+ 112 - HA    ILE  119  11.16 +/- 1.99   3.093% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HA    ILE  119  19.12 +/- 4.42   2.805% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  107 - HA    ILE  119   8.83 +/- 3.52   5.969% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  16.81 +/- 3.49   0.701% *  0.0646% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  20.85 +/- 4.69   0.290% *  0.0938% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.14, residual support = 268.2:
    *   T QD1   ILE  119 - HA    ILE  119   3.45 +/- 0.48  91.043% * 99.2846% (0.97 10.00   6.14 268.29) =  99.984%  kept
        T HB    VAL   75 - HA    ILE  119  15.02 +/- 2.28   1.666% *  0.5824% (0.57 10.00   0.02   0.02) =   0.011%
          HB2   LEU  104 - HA    ILE  119  14.43 +/- 6.89   4.677% *  0.0747% (0.73  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HA    ILE  119  12.99 +/- 3.44   2.615% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.35 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.67, residual support = 242.5:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.02  84.750% * 50.8167% (0.87  10.0 10.00   6.73 268.29) =  87.563%  kept
        T HA    THR  118 - HB    ILE  119   5.69 +/- 0.11  12.472% * 49.0416% (0.84   1.0 10.00   6.21  60.76) =  12.435%  kept
          HB2   TRP   49 - HB    ILE  119  19.54 +/- 4.31   0.854% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HB    ILE  119  14.22 +/- 2.30   1.041% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    ILE  119  20.79 +/- 1.81   0.287% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  17.35 +/- 2.63   0.596% *  0.0089% (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 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 268.3:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  96.948% * 99.7168% (0.87  10.0 10.00   6.42 268.29) =  99.999%  kept
          QD2   LEU   71 - HB    ILE  119  17.23 +/- 2.85   0.451% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  16.57 +/- 4.19   0.337% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  13.78 +/- 3.34   0.851% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  14.43 +/- 4.10   0.481% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  14.13 +/- 3.96   0.671% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.45 +/- 3.95   0.261% *  0.0374% (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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.33, residual support = 268.3:
    * O T HG12  ILE  119 - HB    ILE  119   2.64 +/- 0.22  88.260% * 99.4466% (0.87  10.0 10.00   6.33 268.29) =  99.992%  kept
          HG3   MET   92 - HB    ILE  119  16.88 +/- 4.35   6.076% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HB    ILE  119  13.25 +/- 2.91   1.165% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  12.60 +/- 5.74   2.412% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB    ILE  119  16.68 +/- 2.92   0.532% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  19.03 +/- 2.50   0.358% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  26.40 +/- 4.14   0.134% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  24.41 +/- 3.40   0.150% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  19.21 +/- 4.56   0.627% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  22.98 +/- 3.30   0.177% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.74 +/- 5.11   0.109% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 6.04, residual support = 266.7:
    * O T HG13  ILE  119 - HB    ILE  119   2.69 +/- 0.37  77.304% * 95.5637% (0.87  10.0 10.00   6.08 268.29) =  99.424%  kept
        T QG1   VAL  107 - HB    ILE  119   7.42 +/- 3.64  10.394% *  4.0088% (0.13   1.0 10.00   0.54   0.02) =   0.561%  kept
        T QG2   VAL  107 - HB    ILE  119   8.43 +/- 3.23   5.451% *  0.1474% (0.13   1.0 10.00   0.02   0.02) =   0.011%
          HD3   LYS+ 112 - HB    ILE  119   9.26 +/- 2.01   3.014% *  0.0503% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HB    ILE  119   8.93 +/- 0.21   2.343% *  0.0295% (0.27   1.0  1.00   0.02   8.54) =   0.001%
          QB    ALA   20 - HB    ILE  119  17.56 +/- 3.76   0.728% *  0.0656% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    ILE  119  22.34 +/- 3.72   0.227% *  0.0954% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  19.87 +/- 4.20   0.539% *  0.0393% (0.36   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 268.3:
    * O T QD1   ILE  119 - HB    ILE  119   2.55 +/- 0.35  97.341% * 99.2846% (0.84  10.0 10.00   5.56 268.29) =  99.992%  kept
        T QG2   VAL  108 - HB    ILE  119  12.85 +/- 2.90   1.169% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU  104 - HB    ILE  119  15.86 +/- 5.60   0.972% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  15.83 +/- 2.24   0.518% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.92, residual support = 264.2:
    * O T HA    ILE  119 - QG2   ILE  119   2.47 +/- 0.13  91.131% * 77.2532% (1.00  10.0 10.00   6.94 268.29) =  98.023%  kept
          HA    THR  118 - QG2   ILE  119   6.07 +/- 0.03   6.296% * 22.5313% (0.97   1.0  1.00   6.04  60.76) =   1.975%  kept
          HB2   TRP   49 - QG2   ILE  119  16.39 +/- 4.09   1.095% *  0.0766% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   ILE  119  13.54 +/- 1.88   0.681% *  0.0561% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   ILE  119  18.24 +/- 1.55   0.246% *  0.0693% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  14.64 +/- 2.13   0.551% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 268.3:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  92.401% * 99.2403% (0.87  10.0 10.00   6.42 268.29) =  99.995%  kept
          HB2   ARG+  54 - QG2   ILE  119  11.69 +/- 2.87   1.598% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - QG2   ILE  119  11.39 +/- 2.21   2.604% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE  119  15.42 +/- 4.16   0.675% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG2   ILE  119  18.10 +/- 3.40   0.516% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QG2   ILE  119  18.31 +/- 3.45   0.434% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QG2   ILE  119  11.45 +/- 0.88   0.613% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.13 +/- 2.66   0.396% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  20.48 +/- 4.71   0.153% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  17.12 +/- 3.49   0.280% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  18.63 +/- 2.88   0.185% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  22.35 +/- 4.08   0.145% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 268.3:
    * O T HG12  ILE  119 - QG2   ILE  119   3.08 +/- 0.22  83.191% * 99.4466% (1.00  10.0 10.00   6.60 268.29) =  99.990%  kept
          HB2   ASP-  44 - QG2   ILE  119  11.19 +/- 2.61   3.626% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG3   MET   92 - QG2   ILE  119  15.26 +/- 3.59   2.684% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - QG2   ILE  119  13.55 +/- 2.68   1.726% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - QG2   ILE  119  11.54 +/- 4.87   4.133% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QG2   ILE  119  16.89 +/- 2.16   0.591% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   ILE  119  21.59 +/- 3.82   0.537% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  19.50 +/- 3.17   0.480% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  18.41 +/- 3.15   0.609% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  16.23 +/- 3.71   1.844% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.93 +/- 4.51   0.579% *  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 = 6.35, residual support = 268.3:
    * O T HG13  ILE  119 - QG2   ILE  119   2.68 +/- 0.31  76.889% * 99.6771% (1.00  10.0 10.00   6.35 268.29) =  99.991%  kept
          HD3   LYS+ 112 - QG2   ILE  119   8.70 +/- 1.67   4.097% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QG2   ILE  119   7.46 +/- 0.23   4.003% *  0.0308% (0.31   1.0  1.00   0.02   8.54) =   0.002%
          QG1   VAL  107 - QG2   ILE  119   7.51 +/- 3.01   7.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   ILE  119  14.14 +/- 3.24   1.423% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   8.28 +/- 2.71   4.951% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  16.55 +/- 3.63   1.309% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  18.39 +/- 3.54   0.321% *  0.0995% (1.00   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 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.84, residual support = 268.3:
    *   T QD1   ILE  119 - QG2   ILE  119   1.89 +/- 0.23  98.232% * 99.8078% (0.97 10.00   5.84 268.29) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  13.71 +/- 4.96   0.756% *  0.0751% (0.73  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QG2   ILE  119  11.96 +/- 2.41   0.614% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  13.36 +/- 1.93   0.398% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 7.11, residual support = 244.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.68 +/- 0.32  85.341% * 50.8167% (1.00  10.0 10.00   7.21 268.29) =  88.375%  kept
        T HA    THR  118 - HG12  ILE  119   5.45 +/- 0.18  11.630% * 49.0416% (0.97   1.0 10.00   6.33  60.76) =  11.623%  kept
          HA2   GLY  109 - HG12  ILE  119  13.32 +/- 2.47   1.125% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  18.46 +/- 3.47   0.796% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG12  ILE  119  19.28 +/- 1.49   0.269% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  15.46 +/- 2.44   0.839% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.33, residual support = 268.3:
    * O T HB    ILE  119 - HG12  ILE  119   2.64 +/- 0.22  92.539% * 98.6651% (0.87  10.0 10.00   6.33 268.29) =  99.987%  kept
        T HB2   ARG+  54 - HG12  ILE  119  13.67 +/- 2.29   1.252% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HB    VAL  108 - HG12  ILE  119  13.90 +/- 3.42   0.948% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  11.50 +/- 1.21   1.254% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG12  ILE  119  11.09 +/- 2.04   2.011% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE  119  18.03 +/- 3.91   0.567% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  21.16 +/- 3.37   0.248% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.78 +/- 3.26   0.276% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  23.49 +/- 4.85   0.184% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  20.23 +/- 3.55   0.275% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  22.09 +/- 2.74   0.207% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.66 +/- 4.18   0.240% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 268.3:
    * O T QG2   ILE  119 - HG12  ILE  119   3.08 +/- 0.22  85.115% * 99.7168% (1.00  10.0 10.00   6.60 268.29) =  99.993%  kept
          QD2   LEU   71 - HG12  ILE  119  15.97 +/- 2.70   1.816% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HG12  ILE  119  15.50 +/- 4.40   1.541% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG12  ILE  119  12.31 +/- 3.17   4.616% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  12.97 +/- 3.89   3.914% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  13.50 +/- 4.22   1.971% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  16.69 +/- 3.66   1.026% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.10 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 = 6.81, residual support = 268.3:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  89.003% * 99.6771% (1.00  10.0 10.00   6.81 268.29) =  99.997%  kept
          HD3   LYS+ 112 - HG12  ILE  119   8.94 +/- 2.16   1.815% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HG12  ILE  119   6.55 +/- 3.73   5.418% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   7.45 +/- 3.37   2.494% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.18 +/- 0.36   0.629% *  0.0308% (0.31   1.0  1.00   0.02   8.54) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  18.67 +/- 3.97   0.366% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.29 +/- 3.42   0.206% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.99 +/- 3.58   0.068% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 268.3:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.01  97.971% * 99.8078% (0.97  10.0 10.00   5.90 268.29) =  99.999%  kept
          HB2   LEU  104 - HG12  ILE  119  14.93 +/- 5.52   0.710% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HG12  ILE  119  11.81 +/- 3.04   0.854% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG12  ILE  119  13.87 +/- 2.05   0.464% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.85, residual support = 242.6:
    * O T HA    ILE  119 - HG13  ILE  119   2.95 +/- 0.55  84.178% * 50.8167% (1.00  10.0 10.00   6.96 268.29) =  87.637%  kept
        T HA    THR  118 - HG13  ILE  119   6.20 +/- 0.48  12.302% * 49.0416% (0.97   1.0 10.00   6.08  60.76) =  12.360%  kept
          HA2   GLY  109 - HG13  ILE  119  13.91 +/- 2.11   1.735% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  18.33 +/- 3.61   0.724% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG13  ILE  119  19.75 +/- 1.63   0.358% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  15.72 +/- 2.47   0.701% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.08, residual support = 268.3:
    * O T HB    ILE  119 - HG13  ILE  119   2.69 +/- 0.37  91.863% * 99.2403% (0.87  10.0 10.00   6.08 268.29) =  99.994%  kept
          HB2   ARG+  54 - HG13  ILE  119  13.50 +/- 2.32   1.287% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG13  ILE  119  17.90 +/- 3.99   0.819% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  11.88 +/- 1.38   1.160% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG13  ILE  119  20.75 +/- 3.68   0.603% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  14.57 +/- 2.99   0.807% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG13  ILE  119  21.09 +/- 3.68   0.496% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  11.37 +/- 2.12   1.774% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HG13  ILE  119  23.75 +/- 4.88   0.247% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  20.01 +/- 3.99   0.447% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  21.95 +/- 3.24   0.292% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.66 +/- 4.56   0.206% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.35, residual support = 268.3:
    * O T QG2   ILE  119 - HG13  ILE  119   2.68 +/- 0.31  92.227% * 99.7168% (1.00  10.0 10.00   6.35 268.29) =  99.997%  kept
          QD2   LEU   71 - HG13  ILE  119  15.87 +/- 3.00   1.028% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG13  ILE  119  15.92 +/- 4.16   0.866% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG13  ILE  119  12.31 +/- 3.22   2.603% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG13  ILE  119  13.95 +/- 3.92   1.019% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  16.76 +/- 3.83   0.733% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  13.08 +/- 3.87   1.523% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.81, residual support = 268.3:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  96.936% * 99.4466% (1.00  10.0 10.00   6.81 268.29) =  99.998%  kept
          HB2   ASP-  44 - HG13  ILE  119  11.53 +/- 2.86   0.907% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HG13  ILE  119  16.13 +/- 3.75   0.520% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  14.98 +/- 3.26   0.343% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  12.42 +/- 5.33   0.735% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.29 +/- 2.44   0.102% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  24.99 +/- 4.14   0.054% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  23.08 +/- 3.54   0.058% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  21.70 +/- 3.51   0.073% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  17.78 +/- 3.95   0.222% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  28.49 +/- 4.92   0.049% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.64, residual support = 268.3:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  98.230% * 99.8078% (0.97  10.0 10.00   5.64 268.29) =  99.999%  kept
          HB2   LEU  104 - HG13  ILE  119  15.38 +/- 5.34   0.615% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  12.40 +/- 2.66   0.688% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.08 +/- 2.16   0.467% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.11, residual support = 258.7:
    *   T HA    ILE  119 - QD1   ILE  119   3.45 +/- 0.48  77.271% * 78.2474% (0.97 10.00   6.14 268.29) =  95.391%  kept
          HA    THR  118 - QD1   ILE  119   6.40 +/- 0.23  13.606% * 21.4110% (0.93  1.00   5.67  60.76) =   4.596%  kept
        T HA    VAL   75 - QD1   ILE  119  12.97 +/- 2.03   2.368% *  0.1370% (0.17 10.00   0.02   0.02) =   0.005%
          HB2   TRP   49 - QD1   ILE  119  14.80 +/- 3.07   3.148% *  0.0776% (0.96  1.00   0.02   0.02) =   0.004%
          HA2   GLY  109 - QD1   ILE  119  11.75 +/- 1.87   2.674% *  0.0568% (0.70  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD1   ILE  119  16.43 +/- 1.47   0.932% *  0.0702% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 268.2:
    * O T HB    ILE  119 - QD1   ILE  119   2.55 +/- 0.35  87.736% * 98.5836% (0.84  10.0 10.00   5.56 268.29) =  99.983%  kept
        T HB    VAL  108 - QD1   ILE  119  12.53 +/- 2.58   1.172% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.010%
          HB2   PRO   93 - QD1   ILE  119   9.28 +/- 1.93   4.240% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QD1   ILE  119  10.43 +/- 1.86   1.763% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE  119  14.82 +/- 3.70   1.125% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119   9.79 +/- 0.96   1.687% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  17.53 +/- 2.88   0.433% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD1   ILE  119  17.33 +/- 2.58   0.424% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  16.54 +/- 3.25   0.573% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  20.33 +/- 3.65   0.250% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  18.30 +/- 2.41   0.315% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.32 +/- 3.45   0.281% *  0.0283% (0.24   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 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.84, residual support = 268.3:
    *   T QG2   ILE  119 - QD1   ILE  119   1.89 +/- 0.23  92.695% * 99.7168% (0.97 10.00   5.84 268.29) =  99.997%  kept
          QD2   LEU   71 - QD1   ILE  119  13.24 +/- 2.21   1.681% *  0.0865% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QD1   ILE  119  13.73 +/- 3.24   0.635% *  0.0943% (0.91  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD1   ILE  119  10.20 +/- 2.57   1.823% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  11.24 +/- 2.85   1.890% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  12.17 +/- 3.03   0.793% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.68 +/- 3.20   0.481% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 268.3:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.01  90.501% * 99.4466% (0.97  10.0 10.00   5.90 268.29) =  99.994%  kept
          HB2   ASP-  44 - QD1   ILE  119   9.48 +/- 2.44   4.017% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.003%
          HG3   MET   92 - QD1   ILE  119  13.23 +/- 3.19   1.298% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - QD1   ILE  119  12.61 +/- 2.27   0.717% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119  11.05 +/- 4.17   1.514% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD1   ILE  119  15.26 +/- 2.14   0.315% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  14.58 +/- 3.57   0.931% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  19.16 +/- 3.03   0.175% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  20.86 +/- 3.20   0.141% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  18.09 +/- 2.71   0.201% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.67 +/- 4.29   0.190% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.64, residual support = 268.3:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  77.679% * 99.6771% (0.97  10.0 10.00   5.64 268.29) =  99.992%  kept
          HD3   LYS+ 112 - QD1   ILE  119   6.91 +/- 1.78   4.825% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  107 - QD1   ILE  119   6.38 +/- 2.91   8.432% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  107 - QD1   ILE  119   6.85 +/- 2.76   6.622% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   ILE  119  13.20 +/- 2.98   0.703% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   9.09 +/- 0.45   1.059% *  0.0308% (0.30   1.0  1.00   0.02   8.54) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  15.56 +/- 3.13   0.514% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.79 +/- 2.60   0.166% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 2.37, residual support = 13.5:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  93.252% * 85.5096% (0.95  10.0 10.00   2.36  13.58) =  99.442%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.82 +/- 0.62   3.190% * 13.9474% (0.15   1.0 10.00   4.41   2.98) =   0.555%  kept
          HG    LEU  115 - HA    ALA  120  10.24 +/- 1.40   1.146% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  19.15 +/- 2.55   0.171% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.82 +/- 1.01   0.794% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  19.15 +/- 6.22   0.313% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  19.01 +/- 5.35   0.420% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  18.24 +/- 5.49   0.300% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  21.01 +/- 3.94   0.176% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.00 +/- 4.36   0.238% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.41, residual support = 13.3:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  76.117% * 83.7236% (0.95  10.0 10.00   2.36  13.58) =  97.007%  kept
          HA    LYS+ 121 - QB    ALA  120   3.86 +/- 0.05  13.012% * 13.5376% (0.72   1.0  1.00   4.23   2.98) =   2.681%  kept
          QB    SER  117 - QB    ALA  120   4.44 +/- 0.23   8.800% *  2.3136% (0.39   1.0  1.00   1.34   5.54) =   0.310%  kept
          QB    SER   48 - QB    ALA  120  17.14 +/- 4.34   0.731% *  0.0773% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QB    ALA  120  15.13 +/- 1.93   0.260% *  0.0699% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  17.39 +/- 3.06   0.225% *  0.0575% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA  120  16.53 +/- 1.95   0.195% *  0.0640% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  15.90 +/- 3.26   0.454% *  0.0166% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  21.42 +/- 3.57   0.106% *  0.0699% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  20.71 +/- 2.44   0.101% *  0.0699% (0.79   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 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 = 0.934, support = 7.92, residual support = 296.1:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   3.00 +/- 0.03  40.149% * 77.4426% (1.00  10.0 10.00   8.31 313.41) =  92.121%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.38 +/- 0.63  32.151% *  4.8499% (0.06   1.0 10.00   4.86 157.13) =   4.620%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.46 +/- 0.65   7.156% * 15.2872% (0.31   1.0 10.00   1.28   2.44) =   3.241%  kept
        T QD    LYS+  65 - HA    LYS+ 121  17.91 +/- 1.94   0.221% *  0.7727% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HA    LYS+ 121  21.76 +/- 7.59   0.210% *  0.6945% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HA    LYS+ 121  20.26 +/- 8.31   0.311% *  0.4074% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HD2   LYS+  74 - HA    LYS+  65   7.34 +/- 3.03  14.664% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+ 121  19.22 +/- 1.94   0.178% *  0.2153% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  16.99 +/- 2.48   0.294% *  0.0486% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  13.85 +/- 2.01   0.501% *  0.0239% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  17.76 +/- 2.30   0.262% *  0.0436% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.95 +/- 3.67   0.185% *  0.0470% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.05 +/- 3.33   0.104% *  0.0759% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.58 +/- 3.25   0.218% *  0.0264% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.58 +/- 2.98   0.215% *  0.0256% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.82 +/- 2.31   2.086% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  19.65 +/- 3.23   0.199% *  0.0150% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  17.38 +/- 3.54   0.341% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  22.81 +/- 2.82   0.108% *  0.0135% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  16.21 +/- 3.30   0.448% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.4:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.56 +/- 0.36  88.110% * 99.6412% (1.00  10.0 10.00   7.34 313.41) =  99.996%  kept
          QG2   VAL  107 - HA    LYS+ 121  11.70 +/- 3.39   1.860% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HA    LYS+ 121   8.78 +/- 0.37   2.413% *  0.0308% (0.31   1.0  1.00   0.02   8.54) =   0.001%
        T HG2   LYS+ 121 - HA    LYS+  65  18.85 +/- 3.02   0.489% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  20.10 +/- 3.94   0.358% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  18.78 +/- 7.40   0.579% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65   9.48 +/- 2.25   3.391% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.53 +/- 6.76   0.406% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.27 +/- 1.47   0.809% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  14.36 +/- 1.96   0.765% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  18.20 +/- 2.98   0.376% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  16.48 +/- 1.80   0.444% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.72, residual support = 312.8:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.28 +/- 0.46  73.182% * 97.8763% (1.00  10.0 10.00   6.73 313.41) =  99.798%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.14 +/- 0.39   8.365% *  1.6182% (0.49   1.0  1.00   0.68   2.44) =   0.189%  kept
        T QD2   LEU   73 - HA    LYS+ 121  16.93 +/- 4.12   1.690% *  0.3339% (0.34   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE   56 - HA    LYS+ 121  11.45 +/- 1.83   3.494% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   73 - HA    LYS+  65   8.51 +/- 1.46   6.993% *  0.0210% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HA    LYS+  65  18.52 +/- 2.81   0.541% *  0.0614% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  22.27 +/- 6.33   0.962% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.23 +/- 1.40   2.022% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  15.83 +/- 3.46   1.632% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  15.02 +/- 2.25   1.119% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.593, support = 7.82, residual support = 301.2:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.48 +/- 0.17  41.667% * 21.3664% (0.31  10.0 10.00   8.20 313.41) =  48.829%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.95 +/- 0.36  11.520% * 69.2258% (1.00   1.0 10.00   7.80 313.41) =  43.738%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.03 +/- 0.68  29.450% *  4.3065% (0.06  10.0 10.00   5.41 157.13) =   6.956%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.51 +/- 0.60   2.410% *  3.4792% (0.05   1.0 10.00   5.44  29.94) =   0.460%  kept
        T QD    LYS+  66 - HA    LYS+ 121  17.62 +/- 4.39   0.208% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  65 - HA    LYS+ 121  19.95 +/- 2.08   0.084% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+  74 - HA    LYS+  65   7.93 +/- 3.17   5.858% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HA    LYS+  65   7.97 +/- 2.64   5.361% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  15.84 +/- 9.42   0.759% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  21.57 +/- 3.76   0.083% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  21.98 +/- 4.70   0.149% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HA    LYS+  65  16.79 +/- 3.05   0.182% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  18.03 +/- 7.84   0.422% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.42 +/- 4.00   0.096% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.01 +/- 2.38   1.005% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.82 +/- 1.75   0.145% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  18.11 +/- 2.46   0.122% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.65 +/- 1.46   0.288% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.82 +/- 1.45   0.097% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.21 +/- 2.48   0.094% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 6.61, residual support = 257.4:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.00 +/- 0.78  65.072% * 56.0042% (1.00   6.70 313.41) =  78.313%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.05 +/- 0.31  23.062% * 43.7476% (0.84   6.27  55.20) =  21.680%  kept
          HG2   GLN   30 - HA    LYS+ 121  24.67 +/- 5.80   1.359% *  0.1148% (0.69   0.02   0.02) =   0.003%
          HB3   ASN   28 - HA    LYS+ 121  26.18 +/- 6.53   0.824% *  0.0749% (0.45   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+ 121  25.53 +/- 5.60   1.216% *  0.0258% (0.15   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HA    LYS+  65  15.92 +/- 3.16   1.900% *  0.0105% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    LYS+  65  15.90 +/- 3.16   1.901% *  0.0088% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  14.32 +/- 2.21   1.872% *  0.0072% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.17 +/- 2.67   0.776% *  0.0047% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  15.53 +/- 3.52   2.019% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 8.22, residual support = 304.0:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   3.00 +/- 0.03  76.452% * 81.7976% (1.00  10.0 10.00   8.31 313.41) =  96.971%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.73 +/- 0.22  11.097% * 17.5255% (0.76   1.0  1.00   5.61   2.98) =   3.016%  kept
          QB    SER  117 - HB2   LYS+ 121   7.13 +/- 1.00   7.407% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HB2   LYS+ 121  16.99 +/- 2.48   0.553% *  0.2790% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB2   LYS+ 121  19.43 +/- 4.48   1.045% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   LYS+ 121  16.71 +/- 3.31   0.556% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.90 +/- 2.06   1.939% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LYS+ 121  20.34 +/- 4.18   0.541% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   LYS+ 121  22.85 +/- 4.02   0.230% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  23.66 +/- 2.90   0.182% *  0.0336% (0.41   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 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 7.75, residual support = 313.0:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.13  83.441% * 98.1613% (1.00  10.0 10.00   7.76 313.41) =  99.860%  kept
          HG13  ILE  119 - HB2   LYS+ 121   7.00 +/- 0.57   6.717% *  1.5944% (0.31   1.0  1.00   1.05   8.54) =   0.131%  kept
          QG2   VAL  107 - HB2   LYS+ 121  10.02 +/- 3.75   7.529% *  0.0906% (0.92   1.0  1.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB2   LYS+ 121  16.95 +/- 7.43   1.168% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB2   LYS+ 121  18.38 +/- 3.78   0.572% *  0.0786% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   LYS+ 121  20.88 +/- 6.33   0.573% *  0.0273% (0.28   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 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 7.1, residual support = 309.4:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.73 +/- 0.18  87.672% * 80.3519% (1.00  10.0 10.00   7.18 313.41) =  98.711%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.79 +/- 0.68   4.710% * 19.3074% (0.49   1.0 10.00   0.99   2.44) =   1.274%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  15.02 +/- 4.25   2.989% *  0.2741% (0.34   1.0 10.00   0.02   0.02) =   0.011%
          QD1   ILE   56 - HB2   LYS+ 121   9.87 +/- 1.71   3.967% *  0.0487% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HB2   LYS+ 121  20.45 +/- 6.00   0.662% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.744, support = 8.51, residual support = 313.4:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.27 +/- 0.39  33.983% * 74.7463% (1.00  10.0 10.00   8.40 313.41) =  63.016%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  64.609% * 23.0703% (0.31  10.0 10.00   8.71 313.41) =  36.978%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  15.93 +/- 3.96   0.203% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.70 +/- 1.95   0.072% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.07 +/- 4.07   0.084% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  14.65 +/- 9.02   0.513% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.24 +/- 3.76   0.077% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.41 +/- 4.37   0.079% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  16.47 +/- 7.38   0.261% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.42 +/- 2.02   0.118% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 7.0, residual support = 257.1:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.60 +/- 0.45  70.343% * 57.0099% (1.00   7.16 313.41) =  78.173%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.37 +/- 0.46  26.166% * 42.7847% (0.84   6.43  55.20) =  21.823%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.81 +/- 5.40   0.860% *  0.1094% (0.69   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+ 121  23.33 +/- 4.98   2.126% *  0.0246% (0.15   0.02   0.02) =   0.001%
          HB3   ASN   28 - HB2   LYS+ 121  24.49 +/- 6.10   0.505% *  0.0714% (0.45   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 7.32, residual support = 310.4:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.56 +/- 0.36  88.543% * 84.3247% (1.00  10.0 10.00   7.34 313.41) =  99.045%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.99 +/- 0.21   4.774% * 14.9775% (0.76   1.0  1.00   4.65   2.98) =   0.949%  kept
          QB    SER  117 - HG2   LYS+ 121   8.62 +/- 1.14   3.571% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG2   LYS+ 121  18.85 +/- 3.02   0.491% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+ 121  18.81 +/- 3.61   0.396% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  21.39 +/- 4.64   0.372% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.24 +/- 2.33   1.212% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  22.48 +/- 4.72   0.263% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  23.73 +/- 5.03   0.244% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  25.10 +/- 3.46   0.134% *  0.0347% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.76, residual support = 313.4:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.93 +/- 0.13  90.176% * 99.4783% (1.00  10.0 10.00   7.76 313.41) =  99.995%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.61 +/- 0.53   5.507% *  0.0307% (0.31   1.0  1.00   0.02   2.44) =   0.002%
          QD    LYS+  38 - HG2   LYS+ 121  20.96 +/- 8.29   0.558% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG2   LYS+ 121  17.68 +/- 2.09   0.481% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  19.28 +/- 9.26   0.857% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  14.21 +/- 1.92   0.949% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.44 +/- 4.06   0.427% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  24.57 +/- 3.70   0.212% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  18.98 +/- 3.22   0.507% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  20.12 +/- 2.37   0.328% *  0.0277% (0.28   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 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.4:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  97.690% * 99.3314% (1.00  10.0 10.00   6.31 313.41) =  99.997%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  16.34 +/- 4.80   0.522% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   31 - HG2   LYS+ 121  21.45 +/- 7.18   0.345% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.72 +/- 0.64   0.877% *  0.0483% (0.49   1.0  1.00   0.02   2.44) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  11.83 +/- 1.88   0.565% *  0.0602% (0.61   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 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.821, support = 7.32, residual support = 313.4:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.83 +/- 0.10  44.519% * 75.5250% (1.00  10.0 10.00   7.20 313.41) =  74.174%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.72 +/- 0.17  50.206% * 23.3106% (0.31  10.0 10.00   7.67 313.41) =  25.818%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  17.51 +/- 4.18   0.361% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU  104 - HG2   LYS+ 121  14.81 +/-10.42   2.102% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG2   LYS+ 121  17.66 +/- 2.22   0.210% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG2   LYS+ 121  17.10 +/- 8.81   1.841% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.09 +/- 3.95   0.161% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+ 121  21.49 +/- 4.97   0.242% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  20.88 +/- 4.49   0.207% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  19.59 +/- 2.34   0.152% *  0.0749% (0.99   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 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   2.48 +/- 0.56  91.640% * 81.6863% (1.00  10.0   6.31 313.41) =  98.232%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.57 +/- 0.84   7.397% * 18.2084% (0.84   1.0   5.34  55.20) =   1.768%  kept
          HG2   GLN   30 - HG2   LYS+ 121  23.98 +/- 6.35   0.366% *  0.0561% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  25.45 +/- 7.24   0.346% *  0.0366% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  25.25 +/- 5.07   0.251% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.996, support = 6.69, residual support = 309.2:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.28 +/- 0.46  58.055% * 85.4218% (1.00  10.0 10.00   6.73 313.41) =  98.652%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.63 +/- 0.33   4.832% * 13.0461% (0.76   1.0  1.00   4.00   2.98) =   1.254%  kept
          HA    PHE   60 - QD2   LEU   73  10.22 +/- 2.40  10.471% *  0.2788% (0.09   1.0  1.00   0.69   0.85) =   0.058%
        T HA    LYS+  65 - QD2   LEU   73   8.51 +/- 1.46   5.500% *  0.0994% (0.12   1.0 10.00   0.02   0.02) =   0.011%
          QB    SER  117 - HG3   LYS+ 121   8.35 +/- 1.09   5.501% *  0.0714% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - QD2   LEU   73  16.93 +/- 4.12   1.082% *  0.2913% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  65 - HG3   LYS+ 121  18.52 +/- 2.81   0.420% *  0.2914% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD2   LEU   73  10.44 +/- 1.74   2.920% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD2   LEU   73  12.27 +/- 2.21   2.388% *  0.0276% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HG3   LYS+ 121  21.13 +/- 4.57   0.764% *  0.0808% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG3   LYS+ 121  22.42 +/- 4.65   0.503% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  18.13 +/- 3.69   0.486% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  11.17 +/- 3.07   2.358% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  15.18 +/- 2.80   1.040% *  0.0243% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG3   LYS+ 121  14.09 +/- 2.16   1.021% *  0.0238% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  17.10 +/- 3.17   0.726% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  17.53 +/- 2.27   0.509% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.51 +/- 2.49   1.011% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  23.63 +/- 4.60   0.233% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  24.51 +/- 3.64   0.180% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.991, support = 7.15, residual support = 310.1:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.73 +/- 0.18  69.427% * 89.6228% (1.00  10.0 10.00   7.18 313.41) =  98.811%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.38 +/- 1.18  12.216% *  5.0451% (0.21   1.0  1.00   5.44  41.39) =   0.979%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.47 +/- 0.69   2.731% *  4.4425% (0.31   1.0 10.00   0.32   2.44) =   0.193%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  15.02 +/- 4.25   2.372% *  0.3056% (0.34   1.0 10.00   0.02   0.02) =   0.012%
          HB    VAL   83 - QD2   LEU   73  11.23 +/- 3.59   2.578% *  0.0300% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU   73   9.43 +/- 1.40   2.507% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  18.51 +/- 9.31   0.657% *  0.0472% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  20.62 +/- 8.08   0.379% *  0.0804% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.44 +/- 2.04   0.340% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.96 +/- 1.20   0.906% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.87 +/- 2.43   1.242% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.05 +/- 4.09   0.311% *  0.0544% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  14.25 +/- 1.90   0.559% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  23.91 +/- 4.04   0.158% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.55 +/- 2.38   1.443% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.58 +/- 2.97   0.317% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  13.94 +/- 2.50   0.883% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  19.77 +/- 2.44   0.226% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.86 +/- 3.34   0.442% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.32 +/- 3.32   0.307% *  0.0085% (0.09   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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 6.3, residual support = 312.9:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  87.750% * 96.9178% (1.00  10.0 10.00   6.31 313.41) =  99.850%  kept
          QB    ALA   20 - QD2   LEU   73   5.97 +/- 1.87   5.869% *  2.0894% (0.27   1.0  1.00   1.58   0.02) =   0.144%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.40 +/- 1.93   1.764% *  0.0919% (0.09   1.0 10.00   0.02   2.12) =   0.002%
        T HG2   LYS+ 121 - QD2   LEU   73  16.34 +/- 4.80   0.470% *  0.3305% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  107 - HG3   LYS+ 121  11.40 +/- 3.82   0.715% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  21.17 +/- 7.54   0.160% *  0.2695% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD2   LEU   73  10.54 +/- 2.17   1.081% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  16.89 +/- 8.62   0.369% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.57 +/- 0.56   0.557% *  0.0299% (0.31   1.0  1.00   0.02   8.54) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.55 +/- 2.12   0.604% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  19.58 +/- 4.01   0.101% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.78 +/- 3.15   0.559% *  0.0102% (0.11   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 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 = 0.75, support = 6.74, residual support = 308.6:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.92 +/- 0.08  27.361% * 67.7526% (1.00  10.0 10.00   6.64 313.41) =  64.073%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.41 +/- 0.23  47.268% * 20.9117% (0.31  10.0 10.00   7.00 313.41) =  34.164%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.43 +/- 0.96   7.568% *  5.3060% (0.26   1.0  1.00   6.01  41.39) =   1.388%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.37 +/- 1.04   2.159% *  4.5722% (0.07   1.0 10.00   2.90  41.39) =   0.341%  kept
        T HD2   LYS+ 121 - QD2   LEU   73  14.99 +/- 4.71   1.894% *  0.2310% (0.34   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+  66 - HG3   LYS+ 121  17.33 +/- 3.94   0.258% *  0.5425% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   26 - QD2   LEU   73   6.16 +/- 1.87   5.618% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  66 - QD2   LEU   73  11.51 +/- 1.11   0.477% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 121 - QD2   LEU   73  15.81 +/- 4.29   0.639% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HG3   LYS+ 121  13.97 +/-10.42   2.141% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  65 - QD2   LEU   73   9.94 +/- 1.33   0.792% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.74 +/- 3.99   0.109% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG3   LYS+ 121  16.68 +/- 8.50   1.054% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.21 +/- 4.83   0.125% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.47 +/- 4.52   0.144% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  19.37 +/- 2.15   0.107% *  0.0672% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.90 +/- 1.50   1.450% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.90 +/- 1.70   0.504% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  17.31 +/- 2.34   0.160% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.18 +/- 2.95   0.172% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.97, residual support = 308.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.70 +/- 0.46  63.862% * 82.0664% (1.00  10.0   6.00 313.41) =  98.222%  kept
          HB3   HIS  122 - HG3   LYS+ 121   7.18 +/- 0.62   4.905% * 17.2382% (0.84   1.0   5.03  55.20) =   1.585%  kept
          HG2   GLN   30 - QD2   LEU   73   5.92 +/- 2.00  19.228% *  0.5213% (0.23   1.0   0.54   5.70) =   0.188%  kept
          QE    LYS+ 121 - QD2   LEU   73  14.01 +/- 4.42   5.924% *  0.0280% (0.34   1.0   0.02   0.02) =   0.003%
          HB3   HIS  122 - QD2   LEU   73  14.94 +/- 3.93   1.782% *  0.0234% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   9.33 +/- 1.68   2.222% *  0.0125% (0.15   1.0   0.02   0.93) =   0.001%
          HG2   GLN   30 - HG3   LYS+ 121  23.64 +/- 6.13   0.299% *  0.0564% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  24.95 +/- 7.26   0.272% *  0.0368% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  24.79 +/- 5.04   0.785% *  0.0127% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.97 +/- 1.43   0.721% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.96, support = 7.32, residual support = 269.8:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.95 +/- 0.36  29.246% * 54.9501% (1.00 10.00   7.80 313.41) =  85.862%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.82 +/- 0.62   5.870% * 41.9944% (0.76 10.00   4.41   2.98) =  13.171%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.51 +/- 0.60   7.342% *  2.3308% (0.04 10.00   5.44  29.94) =   0.914%  kept
          QB    SER  117 - HD2   LYS+ 121   8.18 +/- 1.51   5.564% *  0.0459% (0.84  1.00   0.02   0.02) =   0.014%
        T HA    LYS+  65 - HD3   LYS+  74   7.93 +/- 3.17   7.397% *  0.0292% (0.05 10.00   0.02   0.02) =   0.012%
        T HA    LYS+  65 - HD2   LYS+ 121  16.79 +/- 3.05   0.581% *  0.1874% (0.34 10.00   0.02   0.02) =   0.006%
          QB    SER   48 - QD    LYS+  66  13.02 +/- 6.53  14.611% *  0.0065% (0.12  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QD    LYS+  66  17.62 +/- 4.39   0.619% *  0.0683% (0.12 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD2   LYS+ 121  12.19 +/- 2.39   2.292% *  0.0153% (0.28  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HD2   LYS+ 121  19.78 +/- 4.30   0.633% *  0.0520% (0.95  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HD3   LYS+  74  11.44 +/- 2.63   3.477% *  0.0081% (0.15  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HD2   LYS+ 121  20.82 +/- 4.34   0.477% *  0.0545% (0.99  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+  74  21.57 +/- 3.76   0.274% *  0.0857% (0.16 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  17.25 +/- 3.77   0.429% *  0.0545% (0.99  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+  74  11.12 +/- 3.91   7.654% *  0.0024% (0.04  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  66  16.82 +/- 5.76   2.674% *  0.0068% (0.12  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+  74  12.76 +/- 1.85   1.044% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  15.95 +/- 3.88   0.952% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.60 +/- 4.15   0.878% *  0.0072% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  16.23 +/- 3.54   1.031% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  22.52 +/- 5.14   0.251% *  0.0226% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  17.65 +/- 3.27   0.533% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.68 +/- 1.38   2.378% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66  16.81 +/- 4.70   0.865% *  0.0052% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  24.01 +/- 3.26   0.147% *  0.0226% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  14.26 +/- 4.09   1.135% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  20.97 +/- 4.30   0.416% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.90 +/- 4.58   0.601% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.22 +/- 2.20   0.412% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  21.12 +/- 3.04   0.219% *  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 = 0.852, support = 7.58, residual support = 290.5:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.27 +/- 0.39  30.166% * 79.1506% (1.00  10.0 10.00   8.40 313.41) =  83.623%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  57.281% *  7.4880% (0.09  10.0  1.00   3.34 186.53) =  15.022%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.94 +/- 1.65   3.884% *  9.8204% (0.12   1.0 10.00   4.16  29.94) =   1.336%  kept
        T QD    LYS+  65 - HD3   LYS+  74   8.09 +/- 2.68   1.503% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  65 - HD2   LYS+ 121  15.78 +/- 2.33   0.102% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HD2   LYS+ 121  20.53 +/- 7.57   0.080% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HD2   LYS+ 121  19.25 +/- 8.53   0.103% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.53 +/- 4.05   0.087% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.74 +/- 0.69   0.734% *  0.0244% (0.31   1.0  1.00   0.02   2.44) =   0.001%
        T HB2   LYS+ 121 - QD    LYS+  66  15.93 +/- 3.96   0.180% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  19.08 +/- 2.26   0.052% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.89 +/- 2.64   0.097% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.24 +/- 3.76   0.068% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  15.72 +/- 4.62   1.985% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.78 +/- 3.43   0.088% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  12.22 +/- 4.93   1.478% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  21.06 +/- 5.10   0.177% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  20.10 +/- 1.98   0.043% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  12.71 +/- 1.78   0.181% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  10.64 +/- 2.68   0.624% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.27 +/- 3.15   0.104% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  22.70 +/- 4.83   0.075% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  23.18 +/- 3.32   0.032% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.56 +/- 2.57   0.199% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  21.89 +/- 2.72   0.036% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.90 +/- 1.69   0.217% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  15.09 +/- 2.57   0.141% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  19.12 +/- 2.77   0.056% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  17.46 +/- 5.09   0.158% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.94 +/- 4.62   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 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 7.19, residual support = 312.9:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.83 +/- 0.10  58.495% * 99.0172% (1.00  10.0 10.00   7.20 313.41) =  99.847%  kept
          QB    ALA   20 - HD3   LYS+  74   6.03 +/- 3.94  22.121% *  0.3630% (0.12   1.0  1.00   0.59   6.84) =   0.138%  kept
          QG2   VAL  107 - HD2   LYS+ 121  10.73 +/- 4.12   5.674% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.009%
          HG13  ILE  119 - HD2   LYS+ 121   7.84 +/- 0.92   3.161% *  0.0306% (0.31   1.0  1.00   0.02   8.54) =   0.002%
        T HG2   LYS+ 121 - QD    LYS+  66  17.51 +/- 4.18   0.536% *  0.1231% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HD2   LYS+ 121  17.07 +/- 7.96   0.722% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.09 +/- 3.95   0.218% *  0.1544% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HD2   LYS+ 121  18.36 +/- 3.88   0.367% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD    LYS+  66  13.11 +/- 2.94   1.660% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  13.62 +/- 2.55   1.174% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  11.42 +/- 1.97   1.501% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  20.88 +/- 7.17   0.480% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  13.44 +/- 3.29   1.228% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  16.34 +/- 4.26   0.932% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  18.09 +/- 3.40   0.879% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.65 +/- 2.37   0.321% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.56 +/- 1.42   0.321% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  19.73 +/- 2.69   0.210% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 313.3:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.92 +/- 0.08  65.926% * 99.1222% (1.00  10.0 10.00   6.64 313.41) =  99.957%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  14.99 +/- 4.71   5.218% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.027%
        T QD2   LEU   73 - HD3   LYS+  74   7.37 +/- 1.04   6.011% *  0.0527% (0.05   1.0 10.00   0.02  41.39) =   0.005%
          QD1   ILE   56 - HD2   LYS+ 121  10.29 +/- 1.97   4.606% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - HD2   LYS+ 121   8.35 +/- 0.88   3.430% *  0.0482% (0.49   1.0  1.00   0.02   2.44) =   0.003%
        T HG3   LYS+ 121 - QD    LYS+  66  17.33 +/- 3.94   0.607% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD    LYS+  66  11.51 +/- 1.11   1.209% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.74 +/- 3.99   0.280% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  12.96 +/- 3.44   3.560% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QD    LYS+  66  13.79 +/- 4.62   3.569% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.45 +/- 6.75   0.887% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.41 +/- 2.20   1.903% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.89 +/- 4.51   0.850% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  17.10 +/- 3.47   1.337% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.48 +/- 1.49   0.607% *  0.0034% (0.03   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 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 = 0.991, support = 6.52, residual support = 299.6:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.31 +/- 0.15  76.166% * 79.7365% (1.00  10.0  1.00   6.56 313.41) =  94.632%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.39 +/- 1.48  17.690% * 19.4597% (0.84   1.0  1.00   5.84  55.20) =   5.364%  kept
        T HG2   GLN   30 - HD2   LYS+ 121  22.72 +/- 5.73   0.282% *  0.5477% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   GLN   30 - HD3   LYS+  74  13.22 +/- 2.24   0.519% *  0.0854% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - QD    LYS+  66  16.71 +/- 2.47   0.275% *  0.0681% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD    LYS+  66  14.32 +/- 4.78   1.489% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  14.80 +/- 4.16   0.711% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  24.59 +/- 6.63   0.159% *  0.0357% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  23.61 +/- 4.67   0.342% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.18 +/- 3.97   0.292% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  18.59 +/- 3.73   0.227% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  20.67 +/- 4.41   0.396% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.90 +/- 1.68   0.868% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.66 +/- 1.09   0.176% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  16.29 +/- 3.49   0.410% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.1:
    * O T HB2   HIS  122 - HA    HIS  122   2.58 +/- 0.26  99.083% * 99.8210% (1.00  10.0 10.00   2.76  71.09) =  99.999%  kept
          HB    THR   46 - HA    HIS  122  17.91 +/- 2.59   0.462% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    HIS  122  15.76 +/- 0.84   0.455% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.989, support = 3.76, residual support = 70.0:
    * O T HB3   HIS  122 - HA    HIS  122   2.82 +/- 0.28  63.979% * 87.8660% (1.00  10.0 10.00   3.80  71.09) =  93.279%  kept
          QE    LYS+ 121 - HA    HIS  122   4.56 +/- 1.71  33.599% * 12.0525% (0.84   1.0  1.00   3.28  55.20) =   6.719%  kept
          HG2   GLN   30 - HA    HIS  122  22.70 +/- 6.21   1.880% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    HIS  122  25.05 +/- 4.96   0.183% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.98 +/- 6.75   0.359% *  0.0154% (0.18   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.1:
    * O T HA    HIS  122 - HB2   HIS  122   2.58 +/- 0.26  97.236% * 99.8702% (1.00  10.0 10.00   2.76  71.09) =  99.999%  kept
          HA    VAL   41 - HB2   HIS  122  16.99 +/- 6.62   1.160% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   HIS  122  20.80 +/- 3.79   1.216% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  18.02 +/- 2.96   0.388% *  0.0249% (0.25   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 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.71, residual support = 71.0:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  94.267% * 85.9293% (1.00  10.0 10.00   3.71  71.09) =  99.172%  kept
          QE    LYS+ 121 - HB2   HIS  122   5.94 +/- 1.74   4.835% * 13.9910% (0.84   1.0  1.00   3.90  55.20) =   0.828%  kept
          HG2   GLN   30 - HB2   HIS  122  21.54 +/- 5.84   0.700% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  23.78 +/- 4.85   0.090% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.15 +/- 6.10   0.108% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 71.1:
    * O T HA    HIS  122 - HB3   HIS  122   2.82 +/- 0.28  97.540% * 99.8702% (1.00  10.0 10.00   3.80  71.09) =  99.999%  kept
          HA    VAL   41 - HB3   HIS  122  17.28 +/- 6.44   1.429% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB3   HIS  122  17.75 +/- 2.91   0.533% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.40 +/- 3.29   0.498% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 71.1:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.615% * 99.8210% (1.00  10.0 10.00   3.71  71.09) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  13.98 +/- 1.35   0.212% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  16.11 +/- 2.45   0.173% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 202.1:
    * O T HB2   LEU  123 - HA    LEU  123   2.97 +/- 0.17  88.867% * 98.5720% (1.00  10.0 10.00   6.12 202.16) =  99.987%  kept
        T QD    LYS+  99 - HA    LEU  123  18.24 +/- 7.75   1.091% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 106 - HA    LEU  123  19.25 +/- 5.18   0.507% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LEU  123   7.78 +/- 0.09   5.021% *  0.0304% (0.31   1.0  1.00   0.02   2.44) =   0.002%
          HG3   PRO   93 - HA    LEU  123  19.72 +/- 3.67   1.056% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LEU  123  22.22 +/- 4.37   1.074% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HA    LEU  123  22.51 +/- 7.65   0.604% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  23.89 +/- 6.91   0.291% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.31 +/- 1.38   0.287% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  17.35 +/- 3.42   0.704% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  21.90 +/- 4.42   0.363% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  27.01 +/- 3.42   0.137% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 202.2:
    * O T HB3   LEU  123 - HA    LEU  123   2.54 +/- 0.10  90.350% * 99.6484% (1.00  10.0 10.00   5.54 202.16) =  99.996%  kept
          HG3   ARG+  54 - HA    LEU  123  18.80 +/- 5.38   6.722% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LEU  123  12.39 +/- 3.07   1.474% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HA    LEU  123  23.14 +/- 6.28   1.013% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LEU  123  21.10 +/- 1.25   0.172% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  21.29 +/- 3.96   0.269% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.686, support = 5.41, residual support = 202.0:
    * O T HG    LEU  123 - HA    LEU  123   3.60 +/- 0.45  59.545% * 98.6685% (0.69  10.0 10.00   5.41 202.16) =  99.921%  kept
          HG3   PRO   68 - HA    LEU  123  19.51 +/- 8.02  12.335% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.028%
          HB3   PRO   52 - HA    LEU  123  18.25 +/- 6.28  10.960% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.018%
          HG2   ARG+  54 - HA    LEU  123  18.23 +/- 5.42   5.037% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.011%
        T HB    ILE   56 - HA    LEU  123  13.26 +/- 3.06   2.464% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.011%
          QB    LYS+  33 - HA    LEU  123  23.64 +/- 6.37   2.047% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    LEU  123  16.65 +/- 7.17   1.532% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    LEU  123  15.80 +/- 5.46   3.418% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  18.10 +/- 4.53   0.662% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  22.96 +/- 6.42   0.360% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU  123  21.58 +/- 6.29   0.727% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  22.36 +/- 6.22   0.402% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  27.03 +/- 3.74   0.254% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  26.76 +/- 3.74   0.256% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.01, residual support = 202.2:
    *   T QD1   LEU  123 - HA    LEU  123   2.20 +/- 0.52  95.325% * 99.6081% (1.00 10.00   6.01 202.16) =  99.996%  kept
          QD1   LEU   71 - HA    LEU  123  18.74 +/- 5.64   1.496% *  0.0996% (1.00  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HA    LEU  123  14.81 +/- 5.09   1.203% *  0.0919% (0.92  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    LEU  123  18.55 +/- 8.14   0.821% *  0.0832% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  123  16.72 +/- 3.79   0.538% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  15.56 +/- 3.98   0.616% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 202.2:
    *   T QD2   LEU  123 - HA    LEU  123   2.90 +/- 0.34  95.503% * 99.9316% (1.00 10.00   4.91 202.16) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.21 +/- 0.33   3.358% *  0.0486% (0.49  1.00   0.02   2.44) =   0.002%
          HB3   LEU  104 - HA    LEU  123  18.55 +/- 8.14   1.139% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 202.1:
    * O T HA    LEU  123 - HB2   LEU  123   2.97 +/- 0.17  93.690% * 98.7431% (1.00  10.0 10.00   6.12 202.16) =  99.991%  kept
        T HA    LYS+  99 - HB2   LEU  123  21.37 +/- 7.06   0.572% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   56 - HB2   LEU  123  13.19 +/- 2.53   1.514% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HB2   LEU  123  12.24 +/- 0.80   1.410% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  13.74 +/- 2.60   1.527% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  20.94 +/- 6.49   0.596% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  26.13 +/- 6.62   0.289% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  26.45 +/- 4.89   0.270% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  30.49 +/- 5.73   0.132% *  0.0337% (0.34   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 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 202.1:
    * O T HG    LEU  123 - HB2   LEU  123   2.34 +/- 0.21  88.614% * 97.8726% (0.69  10.0 10.00   5.44 202.16) =  99.983%  kept
          HG2   ARG+  54 - HB2   LEU  123  18.16 +/- 4.98   3.545% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T QB    LYS+ 106 - HB2   LEU  123  16.82 +/- 4.32   0.383% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   52 - HB2   LEU  123  17.67 +/- 5.64   2.313% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HB2   LEU  123  20.43 +/- 7.20   1.305% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB2   LEU  123  15.39 +/- 6.88   0.868% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HB2   LEU  123  21.75 +/- 5.56   0.190% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   LEU  123  24.37 +/- 5.69   0.360% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  12.81 +/- 2.72   0.973% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  21.92 +/- 6.03   0.185% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123  16.47 +/- 5.00   0.858% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  21.54 +/- 5.74   0.191% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  25.79 +/- 3.91   0.119% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  26.19 +/- 3.90   0.097% *  0.0807% (0.57   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 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 202.2:
    * O T QD1   LEU  123 - HB2   LEU  123   2.76 +/- 0.26  94.308% * 99.6081% (1.00  10.0 10.00   5.98 202.16) =  99.995%  kept
          QG1   VAL   70 - HB2   LEU  123  15.28 +/- 4.59   1.527% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  123  19.45 +/- 4.97   1.242% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  17.72 +/- 7.70   0.970% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  123  17.25 +/- 3.40   0.762% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  15.93 +/- 3.80   1.190% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.0, residual support = 201.4:
    * O T QD2   LEU  123 - HB2   LEU  123   2.97 +/- 0.21  93.915% * 92.7325% (1.00  10.0 10.00   5.02 202.16) =  99.610%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.47 +/- 0.69   4.699% *  7.2491% (0.49   1.0 10.00   0.32   2.44) =   0.390%  kept
          HB3   LEU  104 - HB2   LEU  123  17.72 +/- 7.70   1.385% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 202.1:
    * O T HA    LEU  123 - HG    LEU  123   3.60 +/- 0.45  84.842% * 99.5102% (0.69  10.0 10.00   5.41 202.16) =  99.989%  kept
          HA    ILE   56 - HG    LEU  123  11.64 +/- 2.52   4.470% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.005%
          HA    ASP- 113 - HG    LEU  123  11.15 +/- 1.16   3.690% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HG    LEU  123  12.21 +/- 2.72   3.959% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  123  21.35 +/- 6.21   0.822% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  20.56 +/- 5.80   1.015% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  25.86 +/- 6.03   0.428% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  25.79 +/- 4.72   0.451% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  29.90 +/- 5.56   0.323% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.43, residual support = 202.1:
    * O T HB2   LEU  123 - HG    LEU  123   2.34 +/- 0.21  90.362% * 96.6014% (0.69  10.0 10.00   5.44 202.16) =  99.971%  kept
        T HG3   PRO   93 - HG    LEU  123  17.23 +/- 3.96   1.728% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.019%
          HB3   MET   92 - HG    LEU  123  19.74 +/- 4.79   2.872% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HG    LEU  123  17.18 +/- 1.48   0.249% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG    LEU  123  23.38 +/- 5.58   0.146% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG    LEU  123  16.74 +/- 3.10   0.361% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG    LEU  123   7.48 +/- 0.62   2.959% *  0.0298% (0.21   1.0  1.00   0.02   2.44) =   0.001%
          QD    LYS+  99 - HG    LEU  123  18.52 +/- 6.10   0.411% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  17.72 +/- 4.52   0.327% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.18 +/- 4.40   0.224% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  23.01 +/- 6.20   0.249% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  25.48 +/- 3.93   0.111% *  0.0397% (0.28   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 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.13, residual support = 202.1:
    * O T HB3   LEU  123 - HG    LEU  123   2.71 +/- 0.13  79.646% * 97.8109% (0.69  10.0 10.00   5.13 202.16) =  99.947%  kept
        T HG3   ARG+  54 - HG    LEU  123  17.12 +/- 4.92  16.995% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.042%
        T QD    LYS+  33 - HG    LEU  123  23.49 +/- 5.05   0.391% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HG    LEU  123  17.98 +/- 1.39   0.288% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG    LEU  123  11.13 +/- 2.86   2.187% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HG    LEU  123  20.28 +/- 4.51   0.493% *  0.0554% (0.39   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 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 = 5.59, residual support = 202.2:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  96.578% * 99.6081% (0.69  10.0 10.00   5.59 202.16) =  99.997%  kept
          QD1   LEU   71 - HG    LEU  123  18.93 +/- 4.48   0.877% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU  123  14.71 +/- 4.03   0.772% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  123  14.73 +/- 3.70   1.013% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  16.41 +/- 3.52   0.399% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  17.98 +/- 6.70   0.360% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.59, residual support = 202.2:
    * O T QD2   LEU  123 - HG    LEU  123   2.10 +/- 0.02  98.531% * 99.9316% (0.69  10.0 10.00   4.59 202.16) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.49 +/- 0.52   1.113% *  0.0486% (0.33   1.0  1.00   0.02   2.44) =   0.001%
          HB3   LEU  104 - HG    LEU  123  17.98 +/- 6.70   0.356% *  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 = 6.01, residual support = 202.1:
    *   T HA    LEU  123 - QD1   LEU  123   2.20 +/- 0.52  86.817% * 99.5102% (1.00 10.00   6.01 202.16) =  99.990%  kept
          HA    ILE   56 - QD1   LEU  123   9.13 +/- 2.26   4.510% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    ASP- 113 - QD1   LEU  123   9.87 +/- 1.02   3.550% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - QD1   LEU  123   9.21 +/- 2.40   3.304% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  17.21 +/- 5.59   0.536% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD1   LEU  123  16.29 +/- 5.35   0.575% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  20.75 +/- 5.35   0.272% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  20.49 +/- 4.08   0.223% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  23.94 +/- 4.57   0.213% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.96, residual support = 200.8:
    * O T HB2   LEU  123 - QD1   LEU  123   2.76 +/- 0.26  76.924% * 94.4612% (1.00  10.0 10.00   5.98 202.16) =  99.298%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.59 +/- 0.18  10.234% *  4.9301% (0.31   1.0  1.00   3.38   2.44) =   0.689%  kept
          HG3   PRO   93 - QD1   LEU  123  14.16 +/- 3.10   4.401% *  0.0943% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB3   MET   92 - QD1   LEU  123  16.34 +/- 3.56   2.655% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - QD1   LEU  123  14.78 +/- 1.34   0.648% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD1   LEU  123  16.86 +/- 3.57   0.743% *  0.0611% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  14.91 +/- 5.46   1.076% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD1   LEU  123  18.46 +/- 5.41   0.777% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD1   LEU  123  12.98 +/- 2.56   1.144% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  123  14.69 +/- 4.03   0.759% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  19.33 +/- 4.99   0.350% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  20.86 +/- 2.75   0.290% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 202.1:
    * O T HB3   LEU  123 - QD1   LEU  123   3.05 +/- 0.21  77.079% * 99.6484% (1.00  10.0 10.00   5.70 202.16) =  99.985%  kept
          QB    ALA   57 - QD1   LEU  123   8.67 +/- 2.42   7.752% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          HG3   ARG+  54 - QD1   LEU  123  13.86 +/- 3.79  12.356% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - QD1   LEU  123  18.77 +/- 4.35   1.300% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - QD1   LEU  123  15.48 +/- 1.21   0.623% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  16.06 +/- 3.48   0.891% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.58, residual support = 202.1:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  79.077% * 98.8924% (0.69  10.0 10.00   5.59 202.16) =  99.977%  kept
          HG3   PRO   68 - QD1   LEU  123  15.20 +/- 5.64   3.887% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PRO   52 - QD1   LEU  123  13.39 +/- 4.40   4.696% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HG2   ARG+  54 - QD1   LEU  123  13.39 +/- 3.76   3.473% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - QD1   LEU  123  12.70 +/- 5.52   0.955% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QD1   LEU  123   8.76 +/- 2.52   3.144% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU  123  11.74 +/- 4.15   2.909% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   LEU  123  19.20 +/- 4.50   0.421% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  13.65 +/- 3.52   0.425% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  18.09 +/- 4.77   0.192% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  16.90 +/- 4.66   0.356% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  17.49 +/- 4.63   0.224% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  20.63 +/- 2.93   0.129% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  20.79 +/- 2.81   0.112% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 202.2:
    * O T QD2   LEU  123 - QD1   LEU  123   2.07 +/- 0.04  97.103% * 99.7540% (1.00  10.0 10.00   5.03 202.16) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  14.78 +/- 5.98   0.722% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD1   LEU  123   7.37 +/- 0.15   2.175% *  0.0486% (0.49   1.0  1.00   0.02   2.44) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 202.1:
    *   T HA    LEU  123 - QD2   LEU  123   2.90 +/- 0.34  82.752% * 99.5102% (1.00 10.00   4.91 202.16) =  99.986%  kept
          HA    ILE   56 - QD2   LEU  123   9.97 +/- 2.64   6.280% *  0.0975% (0.98  1.00   0.02   0.02) =   0.007%
          HA    PRO   58 - QD2   LEU  123  10.45 +/- 2.59   5.600% *  0.0373% (0.38  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD2   LEU  123  10.11 +/- 1.05   2.653% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QD2   LEU  123  19.03 +/- 5.19   0.631% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  18.08 +/- 5.06   0.947% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  22.33 +/- 5.27   0.464% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD2   LEU  123  21.80 +/- 4.77   0.426% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  25.04 +/- 5.42   0.248% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 202.1:
    * O T HB2   LEU  123 - QD2   LEU  123   2.97 +/- 0.21  80.438% * 99.0560% (1.00  10.0 10.00   5.02 202.16) =  99.968%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.79 +/- 0.68   4.619% *  0.3057% (0.31   1.0 10.00   0.02   2.44) =   0.018%
          HG3   PRO   93 - QD2   LEU  123  15.31 +/- 3.27   4.284% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB3   MET   92 - QD2   LEU  123  17.49 +/- 4.02   4.995% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - QD2   LEU  123  14.16 +/- 3.24   1.667% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  15.31 +/- 1.13   0.622% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  16.46 +/- 5.20   0.959% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  19.79 +/- 5.43   0.601% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  16.18 +/- 3.67   0.743% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.48 +/- 3.60   0.496% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  20.79 +/- 4.56   0.334% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  22.36 +/- 3.41   0.242% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 202.1:
    * O T HB3   LEU  123 - QD2   LEU  123   2.12 +/- 0.26  84.312% * 99.6484% (1.00  10.0 10.00   4.59 202.16) =  99.993%  kept
          QB    ALA   57 - QD2   LEU  123   9.41 +/- 2.75   3.069% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HG3   ARG+  54 - QD2   LEU  123  14.39 +/- 4.22  10.736% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - QD2   LEU  123  17.57 +/- 4.05   1.253% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QD2   LEU  123  20.05 +/- 4.48   0.340% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  15.97 +/- 0.97   0.290% *  0.0894% (0.90   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 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.59, residual support = 202.1:
    * O T HG    LEU  123 - QD2   LEU  123   2.10 +/- 0.02  72.836% * 98.6685% (0.69  10.0 10.00   4.59 202.16) =  99.960%  kept
          HB3   PRO   52 - QD2   LEU  123  14.07 +/- 5.01  14.071% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.019%
        T HB    ILE   56 - QD2   LEU  123   9.81 +/- 2.99   2.257% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.008%
          HG2   ARG+  54 - QD2   LEU  123  14.02 +/- 4.15   3.206% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HG3   PRO   68 - QD2   LEU  123  16.86 +/- 6.02   2.459% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - QD2   LEU  123  13.07 +/- 4.57   3.541% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  14.49 +/- 4.97   0.425% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD2   LEU  123  20.53 +/- 4.48   0.271% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  15.15 +/- 3.11   0.256% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  19.79 +/- 4.21   0.118% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  21.88 +/- 3.73   0.155% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  19.28 +/- 4.02   0.131% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  21.96 +/- 3.59   0.095% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  18.69 +/- 4.31   0.179% *  0.0399% (0.28   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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 202.2:
    * O T QD1   LEU  123 - QD2   LEU  123   2.07 +/- 0.04  94.050% * 99.6081% (1.00  10.0 10.00   5.03 202.16) =  99.995%  kept
          QD1   LEU   71 - QD2   LEU  123  16.22 +/- 4.09   1.733% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QD2   LEU  123  12.85 +/- 3.66   1.416% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU  123  14.02 +/- 3.48   1.081% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123  12.83 +/- 3.21   1.343% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  16.51 +/- 5.52   0.377% *  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 = 9.15:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  87.077% * 97.4620% (1.00  10.0 10.00   1.00   9.15) =  99.994%  kept
        T HB2   LEU   31 - HA    ALA   34   7.52 +/- 0.33   2.004% *  0.0730% (0.07   1.0 10.00   0.02  10.38) =   0.002%
        T HB2   LEU   31 - HA    ALA  124  26.30 +/- 7.21   0.183% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  24.73 +/- 3.30   0.079% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA  124 - HA    ALA   34  21.90 +/- 6.51   0.319% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  18.40 +/- 3.23   0.188% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  11.98 +/- 3.78   1.408% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  20.04 +/- 2.43   0.120% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.91 +/- 3.70   0.119% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  23.32 +/- 7.16   0.116% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.00 +/- 3.36   0.118% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.79 +/- 0.79   3.534% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  29.09 +/- 5.24   0.096% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  22.37 +/- 9.59   0.206% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  11.65 +/- 3.95   1.623% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  21.86 +/- 6.12   0.128% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.10 +/- 1.57   0.075% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.30 +/- 2.92   0.354% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.55 +/- 1.60   0.126% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  26.35 +/- 9.46   0.120% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.28 +/- 1.25   0.208% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.79 +/- 1.75   0.910% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  26.83 +/- 8.36   0.084% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  24.18 +/- 4.79   0.095% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  21.29 +/- 4.86   0.135% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.64 +/- 1.78   0.077% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  18.87 +/- 3.02   0.151% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  17.28 +/- 4.23   0.241% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.17 +/- 3.21   0.046% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  26.27 +/- 3.32   0.059% *  0.0028% (0.03   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 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.15:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  98.093% * 98.8388% (1.00  10.0 10.00   1.00   9.15) =  99.997%  kept
        T HA    ALA   34 - QB    ALA  124  21.90 +/- 6.51   0.360% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASN   28 - QB    ALA  124  23.60 +/- 5.50   0.213% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QB    ALA  124  17.51 +/- 4.24   0.617% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - QB    ALA  124  14.45 +/- 0.97   0.335% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  25.05 +/- 7.53   0.180% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  26.65 +/- 3.91   0.076% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  24.01 +/- 7.17   0.125% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 5.54, residual support = 202.2:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  98.162% * 97.4949% (1.00  10.0 10.00   5.54 202.16) =  99.996%  kept
        T QD    LYS+  33 - HB2   LEU  123  23.95 +/- 5.65   0.191% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HB2   LEU  123  18.95 +/- 1.04   0.080% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB2   LEU  123  21.48 +/- 4.15   0.114% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  12.50 +/- 2.72   0.439% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  18.71 +/- 5.00   1.014% *  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 = 5.54, residual support = 202.2:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.667% * 96.4170% (0.99  10.0 10.00   5.54 202.16) =  99.996%  kept
        T HD2   LYS+ 111 - HB3   LEU  123  19.16 +/- 1.54   0.082% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB3   LEU  123  23.61 +/- 7.01   0.090% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  24.20 +/- 6.30   0.057% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB3   LEU  123  18.32 +/- 3.39   0.128% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.41 +/- 0.19   0.887% *  0.0365% (0.38   1.0  1.00   0.02   2.44) =   0.000%
          HB3   MET   92 - HB3   LEU  123  21.95 +/- 4.81   0.431% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.46 +/- 3.98   0.268% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.40 +/- 4.12   0.040% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  19.11 +/- 7.03   0.168% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.93 +/- 4.44   0.072% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  19.17 +/- 4.77   0.108% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 202.1:
    * O T QD1   LEU  123 - HB3   LEU  123   3.05 +/- 0.21  92.111% * 99.6081% (1.00  10.0 10.00   5.70 202.16) =  99.993%  kept
          QD1   LEU   71 - HB3   LEU  123  19.89 +/- 5.10   1.964% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HB3   LEU  123  15.87 +/- 4.64   2.117% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HB3   LEU  123  17.64 +/- 3.87   1.297% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  18.93 +/- 7.49   1.037% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  16.59 +/- 3.85   1.475% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 202.2:
    * O T QD2   LEU  123 - HB3   LEU  123   2.12 +/- 0.26  98.556% * 99.9316% (1.00  10.0 10.00   4.59 202.16) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.89 +/- 0.55   1.128% *  0.0486% (0.49   1.0  1.00   0.02   2.44) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  18.93 +/- 7.49   0.316% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.686, support = 5.12, residual support = 202.0:
    * O T HG    LEU  123 - HB3   LEU  123   2.71 +/- 0.13  83.820% * 95.7694% (0.69  10.0 10.00   5.13 202.16) =  99.901%  kept
        T HG2   ARG+  54 - HB3   LEU  123  18.60 +/- 5.12   3.346% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.050%
        T HG3   PRO   68 - HB3   LEU  123  20.92 +/- 7.47   1.952% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.031%
        T QB    LYS+  33 - HB3   LEU  123  24.85 +/- 5.91   0.620% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PRO   52 - HB3   LEU  123  18.39 +/- 5.95   5.377% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HB3   LEU  123  16.76 +/- 6.58   0.785% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB3   LEU  123  13.51 +/- 3.02   1.278% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU  123  16.88 +/- 5.30   1.428% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  18.04 +/- 4.07   0.381% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  23.20 +/- 5.81   0.196% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  26.85 +/- 4.40   0.184% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  22.79 +/- 5.52   0.209% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  22.64 +/- 5.63   0.292% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  27.00 +/- 4.43   0.133% *  0.0789% (0.57   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 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 202.2:
    * O T HA    LEU  123 - HB3   LEU  123   2.54 +/- 0.10  96.320% * 99.5102% (1.00  10.0 10.00   5.54 202.16) =  99.998%  kept
          HA    ILE   56 - HB3   LEU  123  13.81 +/- 2.74   0.902% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  13.06 +/- 1.05   0.791% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.21 +/- 2.95   0.878% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  22.37 +/- 7.00   0.277% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  21.71 +/- 6.59   0.344% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  26.71 +/- 6.90   0.176% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  26.81 +/- 5.48   0.207% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  30.71 +/- 6.19   0.105% *  0.0339% (0.34   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 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.978, support = 5.68, residual support = 313.4:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  87.753% * 76.1572% (1.00  10.0   5.63 313.41) =  96.877%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.84 +/- 0.32   9.163% * 23.5057% (0.31  10.0   7.02 313.41) =   3.122%  kept
          HG    LEU  104 - HD3   LYS+ 121  14.34 +/-10.60   1.281% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  16.49 +/- 3.90   0.223% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  16.17 +/- 9.07   0.965% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  19.44 +/- 4.74   0.182% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.18 +/- 2.54   0.100% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  20.62 +/- 4.67   0.101% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  17.41 +/- 2.64   0.120% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.65 +/- 4.14   0.111% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 313.4:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.70 +/- 0.30  88.748% * 99.7211% (1.00  10.0   6.28 313.41) =  99.992%  kept
          QG2   VAL  107 - HD3   LYS+ 121  11.31 +/- 4.43   5.110% *  0.0921% (0.92   1.0   0.02   0.02) =   0.005%
          HG13  ILE  103 - HD3   LYS+ 121  16.74 +/- 9.02   1.905% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   9.20 +/- 0.96   2.834% *  0.0308% (0.31   1.0   0.02   8.54) =   0.001%
          QB    ALA   20 - HD3   LYS+ 121  18.79 +/- 3.97   0.492% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  20.87 +/- 7.84   0.912% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.3:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.47 +/- 0.26  91.289% * 98.9917% (1.00  10.0 10.00   5.98 313.41) =  99.969%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.24 +/- 1.87   2.341% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.016%
        T QD2   LEU   73 - HD3   LYS+ 121  15.21 +/- 5.24   3.703% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.014%
          QD2   LEU  123 - HD3   LYS+ 121   9.45 +/- 0.85   2.050% *  0.0482% (0.49   1.0  1.00   0.02   2.44) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  20.52 +/- 7.39   0.618% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 313.4:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.23 +/- 0.29  88.292% * 99.2313% (1.00  10.0  1.00   7.12 313.41) =  99.993%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.94 +/- 0.77   4.792% *  0.0306% (0.31   1.0  1.00   0.02   2.44) =   0.002%
        T HD3   LYS+ 111 - HD3   LYS+ 121  19.99 +/- 2.74   0.446% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD3   LYS+ 121  16.42 +/- 2.49   0.875% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD3   LYS+ 121  18.68 +/- 9.58   1.345% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   LYS+ 121  20.46 +/- 8.22   0.754% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  18.99 +/- 4.33   0.811% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  13.64 +/- 1.69   1.511% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   LYS+ 121  23.38 +/- 3.94   0.328% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.14 +/- 3.04   0.847% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.76, residual support = 309.2:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.42 +/- 0.17  90.939% * 84.0137% (1.00  10.0   5.78 313.41) =  98.353%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.58 +/- 1.49   8.057% * 15.8780% (0.84   1.0   4.53  55.20) =   1.647%  kept
          HG2   GLN   30 - HD3   LYS+ 121  22.96 +/- 6.12   0.227% *  0.0577% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  24.64 +/- 7.23   0.200% *  0.0377% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  24.03 +/- 4.61   0.578% *  0.0130% (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 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 6.6, residual support = 306.3:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.57 +/- 0.32  62.316% * 88.0925% (1.00 10.00   6.68 313.41) =  97.705%  kept
          HA    ALA  120 - HD3   LYS+ 121   8.13 +/- 0.59  11.344% * 11.1786% (0.76  1.00   3.32   2.98) =   2.257%  kept
          QB    SER  117 - HD3   LYS+ 121   8.93 +/- 1.71  13.532% *  0.0736% (0.84  1.00   0.02   0.02) =   0.018%
        T HA    LYS+  65 - HD3   LYS+ 121  17.39 +/- 3.36   1.890% *  0.3005% (0.34 10.00   0.02   0.02) =   0.010%
          HB    THR   94 - HD3   LYS+ 121  17.68 +/- 4.31   1.621% *  0.0873% (0.99  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HD3   LYS+ 121  21.66 +/- 4.52   1.504% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HD3   LYS+ 121  20.39 +/- 4.22   1.540% *  0.0833% (0.95  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  13.23 +/- 2.43   4.761% *  0.0245% (0.28  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HD3   LYS+ 121  22.82 +/- 5.47   0.930% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  24.17 +/- 3.84   0.563% *  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 = 7.67, residual support = 313.4:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.72 +/- 0.17  90.717% * 99.7211% (0.84  10.0 10.00   7.67 313.41) =  99.994%  kept
          QG2   VAL  107 - HB3   LYS+ 121  10.28 +/- 3.62   3.314% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HB3   LYS+ 121   8.01 +/- 0.56   3.964% *  0.0308% (0.26   1.0  1.00   0.02   8.54) =   0.001%
          HG13  ILE  103 - HB3   LYS+ 121  17.08 +/- 7.71   1.113% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 121  19.30 +/- 3.94   0.450% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  21.49 +/- 6.53   0.442% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.0, residual support = 313.4:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.41 +/- 0.23  93.970% * 99.5295% (0.84  10.0 10.00   7.00 313.41) =  99.993%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  15.81 +/- 4.29   1.301% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  123 - HB3   LYS+ 121   8.24 +/- 0.55   2.713% *  0.0484% (0.41   1.0  1.00   0.02   2.44) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  10.72 +/- 1.69   1.665% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  21.17 +/- 6.20   0.351% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.71, residual support = 313.4:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  97.392% * 97.1314% (0.84  10.0 10.00   8.71 313.41) =  99.996%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  16.95 +/- 1.74   0.123% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LYS+ 121  19.18 +/- 8.26   0.180% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB3   LYS+ 121  21.22 +/- 7.22   0.099% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+ 121   7.14 +/- 0.57   1.499% *  0.0300% (0.26   1.0  1.00   0.02   2.44) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  18.01 +/- 2.12   0.106% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  13.31 +/- 1.83   0.275% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.63 +/- 3.79   0.106% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.38 +/- 3.61   0.064% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.11 +/- 3.06   0.155% *  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 = 0.814, support = 6.75, residual support = 273.8:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.00 +/- 0.37  74.191% * 58.9752% (0.84  1.00   6.95 313.41) =  84.659%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.53 +/- 0.61  19.908% * 39.7575% (0.70  1.00   5.61  55.20) =  15.314%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  23.72 +/- 5.68   1.055% *  1.1651% (0.57 10.00   0.02   0.02) =   0.024%
          HB3   ASP-  78 - HB3   LYS+ 121  24.09 +/- 5.26   4.054% *  0.0262% (0.13  1.00   0.02   0.02) =   0.002%
          HB3   ASN   28 - HB3   LYS+ 121  25.11 +/- 6.40   0.791% *  0.0760% (0.37  1.00   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.832, support = 8.15, residual support = 309.1:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.48 +/- 0.17  85.183% * 84.1617% (0.84  10.0 10.00   8.20 313.41) =  98.607%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.95 +/- 0.23   6.649% * 15.1419% (0.64   1.0  1.00   4.71   2.98) =   1.385%  kept
          QB    SER  117 - HB3   LYS+ 121   6.70 +/- 1.00   5.597% *  0.0703% (0.70   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HB3   LYS+ 121  18.11 +/- 2.46   0.311% *  0.2871% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB3   LYS+ 121  20.31 +/- 4.58   0.529% *  0.0796% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   LYS+ 121  17.19 +/- 3.29   0.352% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  21.35 +/- 4.15   0.268% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  13.13 +/- 2.07   0.853% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  23.81 +/- 4.14   0.132% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  23.91 +/- 3.27   0.125% *  0.0346% (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 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.781, support = 8.62, residual support = 313.4:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  64.778% * 55.3563% (0.84  10.0 10.00   8.71 313.41) =  71.051%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.27 +/- 0.39  34.072% * 42.8727% (0.65  10.0 10.00   8.40 313.41) =  28.944%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  15.93 +/- 3.96   0.204% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.24 +/- 3.76   0.077% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  14.65 +/- 9.02   0.514% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.70 +/- 1.95   0.072% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.07 +/- 4.07   0.085% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.42 +/- 2.02   0.119% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.41 +/- 4.37   0.080% *  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 = 0.781, support = 8.05, residual support = 308.7:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.48 +/- 0.17  41.966% * 52.0655% (0.84  10.0 10.00   8.20 313.41) =  80.091%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.95 +/- 0.36  11.602% * 40.3240% (0.65   1.0 10.00   7.80 313.41) =  17.149%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.03 +/- 0.68  29.660% *  2.2150% (0.04  10.0 10.00   5.41 157.13) =   2.408%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.51 +/- 0.60   2.428% *  3.7757% (0.06   1.0 10.00   5.44  29.94) =   0.336%  kept
        T HD3   LYS+  74 - HA    LYS+  65   7.93 +/- 3.17   5.900% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  66 - HA    LYS+ 121  17.62 +/- 4.39   0.209% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU  104 - HA    LYS+ 121  15.84 +/- 9.42   0.764% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  21.57 +/- 3.76   0.084% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  19.95 +/- 2.08   0.084% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+ 121  16.82 +/- 1.75   0.146% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   7.97 +/- 2.64   5.400% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.79 +/- 3.05   0.184% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.98 +/- 4.70   0.150% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  18.11 +/- 2.46   0.123% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.01 +/- 2.38   1.012% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.42 +/- 4.00   0.096% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.82 +/- 1.45   0.097% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.21 +/- 2.48   0.095% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.973, support = 6.64, residual support = 309.1:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.57 +/- 0.32  16.633% * 97.6597% (1.00   1.0 10.00   6.68 313.41) =  97.281%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.33 +/- 0.53  37.014% *  1.2130% (0.01  10.0 10.00   5.27 157.13) =   2.689%  kept
          HB3   LYS+  74 - HA    LYS+  65   8.47 +/- 2.98  12.287% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HA    LYS+ 121  24.81 +/- 6.86   0.281% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QB    LEU   98 - HA    LYS+ 121  16.69 +/- 6.47   0.767% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    LYS+ 121  19.79 +/- 2.11   0.222% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  110 - HA    LYS+ 121  15.13 +/- 1.70   0.602% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HA    LYS+ 121  13.37 +/- 2.18   0.993% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.39 +/- 3.36   0.426% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HA    LYS+  65   6.28 +/- 1.47   9.916% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  16.02 +/- 6.20   0.869% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  21.68 +/- 3.85   0.171% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    LYS+ 121  25.13 +/- 3.74   0.164% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  19.36 +/- 5.83   0.678% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+ 121  23.46 +/- 4.97   0.210% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HA    LYS+  65  16.33 +/- 2.74   0.686% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    LYS+ 121  25.47 +/- 4.60   0.220% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+  65   6.15 +/- 0.74   7.325% *  0.0012% (0.01   1.0  1.00   0.02   0.51) =   0.001%
          HB3   LEU   73 - HA    LYS+ 121  20.82 +/- 5.23   0.398% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.58 +/- 3.12   1.491% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  27.25 +/- 3.92   0.080% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  16.72 +/- 3.64   0.765% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  15.79 +/- 3.13   1.261% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  14.53 +/- 1.99   0.680% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.07 +/- 1.35   2.199% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  10.01 +/- 2.01   2.565% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  16.60 +/- 3.73   0.680% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  17.73 +/- 3.46   0.417% *  0.0037% (0.04   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 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.28, residual support = 224.9:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  92.071% * 92.5332% (1.00  10.0 10.00   6.28 225.45) =  99.749%  kept
          QB    GLU- 114 - HB3   LEU  115   5.51 +/- 0.56   3.369% *  6.2555% (0.31   1.0  1.00   4.38  21.36) =   0.247%  kept
        T HB2   LEU   67 - HB3   LEU  115  16.10 +/- 2.56   0.158% *  0.7409% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HB3   LEU  115  10.17 +/- 1.94   1.025% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HB3   LEU   40  10.36 +/- 2.62   1.007% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  19.03 +/- 1.96   0.086% *  0.1086% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  17.85 +/- 3.47   0.144% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.35 +/- 1.49   0.226% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  18.22 +/- 3.59   0.124% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.52 +/- 3.48   0.511% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  20.40 +/- 3.00   0.083% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  11.63 +/- 2.04   0.510% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.51 +/- 2.42   0.411% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  19.63 +/- 4.09   0.130% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  18.92 +/- 2.12   0.086% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.15 +/- 4.38   0.057% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 238.0:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  95.944% * 98.3538% (1.00  10.0 10.00   7.21 238.04) =  99.996%  kept
        T HB    VAL   42 - HB3   LYS+ 112  17.03 +/- 3.20   0.229% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HB3   LYS+ 112   9.54 +/- 2.95   2.016% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.77 +/- 2.82   0.258% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  19.96 +/- 4.41   0.143% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.76 +/- 2.76   0.131% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  13.21 +/- 2.95   0.688% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  16.40 +/- 3.00   0.186% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.21 +/- 3.48   0.043% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  18.95 +/- 2.84   0.116% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  27.54 +/- 3.82   0.034% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.25 +/- 1.54   0.112% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.45 +/- 2.89   0.065% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.07 +/- 4.97   0.034% *  0.0517% (0.53   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 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.91, support = 4.53, residual support = 237.8:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  78.518% * 54.1506% (0.95  10.0   4.32 238.04) =  83.827%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.14 +/- 0.58  19.695% * 41.3834% (0.72  10.0   5.66 238.04) =  16.069%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.19 +/- 1.50   1.202% *  4.3522% (0.36   1.0   4.28  29.02) =   0.103%  kept
          QG2   THR   94 - HD3   LYS+ 112  12.39 +/- 2.52   0.388% *  0.0434% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  23.27 +/- 4.19   0.050% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  17.40 +/- 3.59   0.147% *  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 = 6.82, residual support = 313.2:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  76.882% * 97.3629% (1.00  10.0   6.85 315.09) =  99.383%  kept
          QB    GLU- 114 - HB3   LYS+ 111   4.33 +/- 1.59  22.476% *  2.0671% (0.57   1.0   0.75   1.81) =   0.617%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.44 +/- 0.98   0.291% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.03 +/- 5.09   0.063% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  26.44 +/- 4.28   0.033% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  27.33 +/- 3.56   0.026% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.00 +/- 5.17   0.064% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  28.60 +/- 4.10   0.028% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  24.40 +/- 4.13   0.047% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.98 +/- 3.56   0.033% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.33 +/- 3.28   0.033% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  27.48 +/- 3.49   0.024% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 60.1:
    * O T QG1   VAL  107 - HA    VAL  107   2.24 +/- 0.28  95.526% * 99.5482% (1.00  10.0 10.00   4.60  60.13) =  99.997%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.91 +/- 2.39   1.618% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HA    VAL  107  17.42 +/- 2.71   0.299% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    VAL  107  18.13 +/- 3.06   0.302% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.30 +/- 3.80   1.327% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  14.24 +/- 3.69   0.747% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.69 +/- 3.10   0.182% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   2.69 +/- 0.28  92.857% * 99.7501% (1.00  10.0 10.00   3.62  60.13) =  99.996%  kept
          HG2   LYS+ 121 - HA    VAL  107  14.37 +/- 5.83   2.075% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    VAL  107  10.82 +/- 0.91   1.671% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    VAL  107  17.87 +/- 2.66   0.681% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.30 +/- 3.80   2.381% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.69 +/- 3.10   0.336% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.28, residual support = 41.1:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.94 +/- 0.11  65.082% * 83.9715% (1.00  10.0 10.00   3.23  42.01) =  94.830%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.45 +/- 0.27  19.300% * 15.3936% (0.87   1.0  1.00   4.23  24.44) =   5.155%  kept
          HB    ILE  103 - HA    ASP- 105   6.32 +/- 0.50   7.048% *  0.0832% (0.99   1.0  1.00   0.02   3.05) =   0.010%
          HG12  ILE  103 - HA    ASP- 105   7.18 +/- 0.60   4.868% *  0.0130% (0.15   1.0  1.00   0.02   3.05) =   0.001%
          QB    LYS+  81 - HA    ASP- 105  20.18 +/- 4.08   0.653% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ASP- 105  18.16 +/- 2.67   0.441% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  19.68 +/- 4.48   0.351% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ASP- 105  19.56 +/- 2.84   0.297% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  17.06 +/- 5.60   0.624% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.06 +/- 2.92   0.173% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  18.22 +/- 4.33   0.384% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  19.37 +/- 3.19   0.262% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  21.02 +/- 3.08   0.223% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.94 +/- 2.65   0.295% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 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 = 3.41, residual support = 42.0:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  96.717% * 99.5527% (0.95  10.0 10.00   3.41  42.01) =  99.998%  kept
          HB2   MET   96 - HB3   ASP- 105   8.75 +/- 1.24   1.256% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   ASP- 105  19.24 +/- 3.64   0.285% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  13.86 +/- 1.48   0.217% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  12.43 +/- 5.82   0.890% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  14.23 +/- 3.48   0.310% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.72 +/- 1.84   0.089% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.45 +/- 3.23   0.063% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.79 +/- 3.95   0.173% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.04, residual support = 142.1:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.012% * 66.9933% (1.00  10.0  1.00   4.90 135.04) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.012% * 32.5339% (0.49  10.0  1.00   5.33 156.63) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  14.56 +/- 3.28   0.146% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65   8.54 +/- 2.95   0.899% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.22 +/- 2.78   0.061% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.56 +/- 2.14   0.259% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  17.91 +/- 4.15   0.095% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  21.05 +/- 2.96   0.033% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.06 +/- 3.74   0.055% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.27 +/- 3.15   0.033% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.12 +/- 4.59   0.030% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.41 +/- 2.39   0.055% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.18 +/- 2.36   0.056% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  24.42 +/- 3.66   0.027% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.82 +/- 1.63   0.061% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  22.62 +/- 3.77   0.034% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  19.78 +/- 3.71   0.043% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.19 +/- 2.49   0.039% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.31 +/- 3.47   0.014% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.29 +/- 3.06   0.034% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 4.31, residual support = 138.4:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  94.521% * 81.2403% (0.80  10.0 10.00   4.30 139.10) =  99.434%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.21 +/- 0.63   2.379% * 18.2454% (0.73   1.0  1.00   4.95  23.47) =   0.562%  kept
          HB    VAL   41 - HG13  ILE  103   9.96 +/- 3.52   2.327% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG13  ILE  103  15.57 +/- 3.61   0.231% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  16.75 +/- 3.11   0.203% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  18.21 +/- 2.38   0.102% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  17.20 +/- 1.30   0.107% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  21.36 +/- 4.84   0.075% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.78 +/- 3.30   0.054% *  0.0534% (0.53   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 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 = 186.5:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  94.104% * 99.4757% (0.80  10.0   5.65 186.53) =  99.997%  kept
          QG2   THR   26 - HB3   LYS+  74   9.06 +/- 2.72   1.063% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HB3   LYS+  74  10.15 +/- 3.17   2.151% *  0.0310% (0.25   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB3   LYS+  74   9.59 +/- 2.28   1.178% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  14.72 +/- 2.51   0.231% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.33 +/- 3.64   0.243% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.43 +/- 3.22   0.124% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  12.55 +/- 2.58   0.485% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  19.29 +/- 4.24   0.136% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  17.03 +/- 3.74   0.286% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 215.8:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  98.766% * 99.3078% (1.00  10.0 10.00   5.14 215.77) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  20.68 +/- 3.05   0.069% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  14.66 +/- 2.63   0.240% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.79 +/- 2.49   0.276% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  16.89 +/- 3.78   0.392% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  20.58 +/- 3.76   0.095% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  20.38 +/- 3.21   0.086% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  21.10 +/- 3.10   0.075% *  0.0248% (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 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.2:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.02  92.901% * 99.6237% (1.00  10.0 10.00   2.81  24.21) =  99.996%  kept
          HA1   GLY   51 - QB    ALA   57   9.50 +/- 1.74   1.855% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QB    ALA   57  16.76 +/- 5.16   1.153% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    ALA   57  13.92 +/- 4.08   1.193% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  12.55 +/- 1.59   0.563% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  11.06 +/- 2.11   0.991% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  18.41 +/- 2.82   0.194% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  26.41 +/- 6.28   0.737% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.30 +/- 2.77   0.252% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.81 +/- 3.14   0.160% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.1:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.812% * 97.5263% (1.00  10.0 10.00   2.81  10.14) =  99.998%  kept
          HA    ALA   57 - HA2   GLY   51  10.93 +/- 1.15   0.458% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.09 +/- 3.57   0.065% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  28.01 +/- 4.21   0.034% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  22.35 +/- 3.57   0.063% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  19.85 +/- 2.63   0.084% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  19.86 +/- 4.53   0.125% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  16.43 +/- 3.78   0.187% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  16.30 +/- 1.16   0.129% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  35.93 +/- 7.88   0.042% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 64.9:
    * O T QG2   VAL   24 - QG1   VAL   24   2.01 +/- 0.06  98.305% * 99.5951% (1.00  10.0 10.00   2.70  64.94) =  99.998%  kept
          HG    LEU   63 - QG1   VAL   24  15.37 +/- 4.28   1.181% *  0.0961% (0.97   1.0  1.00   0.02   0.80) =   0.001%
        T QG1   VAL  107 - QG1   VAL   24  15.24 +/- 2.41   0.317% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  21.22 +/- 4.81   0.197% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 158.8:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  97.744% * 99.4743% (1.00  10.0 10.00   6.49 158.85) =  99.999%  kept
          HB3   ASN   28 - HG3   GLN   30   8.70 +/- 0.67   0.872% *  0.0918% (0.92   1.0  1.00   0.02  19.12) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  20.29 +/- 5.46   0.210% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  21.39 +/- 5.35   0.358% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.19 +/- 3.98   0.036% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  21.21 +/- 2.63   0.066% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  16.17 +/- 2.10   0.155% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  15.91 +/- 2.32   0.162% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.37 +/- 1.47   0.108% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.21 +/- 3.65   0.030% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.38 +/- 2.57   0.201% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.87 +/- 2.70   0.056% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 4.67, residual support = 155.9:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.86 +/- 0.51  67.531% * 96.2949% (1.00  10.0   4.68 156.63) =  99.509%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.70 +/- 1.96  10.992% *  2.8415% (0.31   1.0   1.91   0.43) =   0.478%  kept
          HB2   ASN   28 - HG2   LYS+  33   9.70 +/- 0.99   2.424% *  0.0944% (0.98   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HG2   LYS+ 106  14.34 +/- 4.20   3.022% *  0.0401% (0.42   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   8.68 +/- 0.68   2.738% *  0.0328% (0.34   1.0   0.02   5.28) =   0.001%
          HB2   ASP-  86 - QG    LYS+  81   9.13 +/- 0.56   2.468% *  0.0317% (0.33   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - QG    LYS+  81  15.80 +/- 4.45   1.036% *  0.0413% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.19 +/- 1.51   4.152% *  0.0103% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - QG    LYS+  81  18.77 +/- 6.45   0.905% *  0.0452% (0.47   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+  33  17.45 +/- 2.38   0.422% *  0.0864% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+ 106  18.83 +/- 3.60   0.474% *  0.0524% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  22.48 +/- 5.96   0.314% *  0.0661% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.24 +/- 2.87   0.253% *  0.0584% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  21.19 +/- 3.76   0.242% *  0.0572% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  20.63 +/- 3.61   0.342% *  0.0378% (0.39   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.95 +/- 4.30   0.248% *  0.0461% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.06 +/- 3.05   0.183% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.24 +/- 3.31   0.377% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  17.78 +/- 3.28   0.578% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  16.45 +/- 2.82   0.505% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  22.11 +/- 3.85   0.195% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.47 +/- 4.48   0.303% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  26.33 +/- 4.14   0.130% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  24.57 +/- 2.98   0.167% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 156.6:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.22 +/- 0.09  98.505% * 98.2551% (1.00  10.0 10.00   5.63 156.63) =  99.997%  kept
        T QG    LYS+  81 - QB    LYS+  33  21.19 +/- 4.00   0.154% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 106 - QB    LYS+  33  20.08 +/- 2.41   0.154% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QB    LYS+  33  16.10 +/- 2.94   0.443% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.89 +/- 1.62   0.304% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  22.71 +/- 6.07   0.371% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.49 +/- 3.07   0.069% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 4.81, residual support = 215.3:
    *     QE    LYS+  38 - HA    LYS+  38   4.13 +/- 0.99  37.444% * 93.8701% (1.00  1.00   4.84 220.08) =  97.422%  kept
          QE    LYS+  99 - HA    GLU- 100   5.67 +/- 0.93  19.649% *  4.3805% (0.05  1.00   4.16  39.00) =   2.386%  kept
          QE    LYS+  99 - HA    LYS+  38   9.02 +/- 4.97  13.629% *  0.3481% (0.90  1.00   0.02   0.02) =   0.132%  kept
        T HB3   TRP   27 - HA    LYS+  38  14.93 +/- 1.61   1.122% *  0.8642% (0.22 10.00   0.02   0.02) =   0.027%
          QE    LYS+ 102 - HA    LYS+  38  15.07 +/- 5.08   1.585% *  0.3583% (0.92  1.00   0.02   0.02) =   0.016%
          QE    LYS+  38 - HA    GLU- 100   9.20 +/- 5.22  16.614% *  0.0235% (0.06  1.00   0.02   0.02) =   0.011%
          QE    LYS+ 102 - HA    GLU- 100   8.72 +/- 1.22   5.254% *  0.0217% (0.06  1.00   0.02   0.02) =   0.003%
        T HB3   TRP   27 - HA    GLU- 100  16.30 +/- 3.76   1.548% *  0.0522% (0.01 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    LYS+  38  15.30 +/- 2.62   1.004% *  0.0768% (0.20  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    GLU- 100  11.28 +/- 0.62   2.151% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 0.893, support = 4.8, residual support = 156.9:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.64 +/- 0.48  42.965% * 54.8141% (1.00  10.0 10.00   4.34 157.13) =  52.703%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.52 +/- 0.55  49.773% * 42.4513% (0.77  10.0 10.00   5.31 156.63) =  47.285%  kept
        T QE    LYS+  33 - HG3   LYS+  65  17.10 +/- 2.73   0.190% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+  33  17.58 +/- 2.40   0.176% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG3   LYS+  33   7.56 +/- 0.52   2.163% *  0.0287% (0.52   1.0  1.00   0.02   5.28) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  18.14 +/- 3.76   0.146% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  18.50 +/- 3.33   0.212% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.58 +/- 0.79   0.959% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.59 +/- 3.29   0.087% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.51 +/- 2.93   0.125% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG3   LYS+ 102  17.80 +/- 5.90   0.377% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  14.78 +/- 3.97   0.587% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.20 +/- 4.17   0.565% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  17.08 +/- 6.14   0.342% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  20.48 +/- 3.86   0.170% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.00 +/- 3.30   0.162% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.71 +/- 5.70   0.195% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  22.16 +/- 6.02   0.107% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.46 +/- 3.77   0.141% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.93 +/- 2.42   0.083% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.32 +/- 3.45   0.238% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  21.31 +/- 3.79   0.117% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.23 +/- 2.62   0.063% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.12 +/- 3.38   0.058% *  0.0167% (0.31   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 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 = 4.51, residual support = 92.4:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.30 +/- 0.08  95.912% * 99.1144% (1.00  10.0 10.00   4.51  92.44) =  99.998%  kept
        T QG    GLN   90 - HG3   GLU-  29  23.69 +/- 4.02   0.111% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HG3   GLU-  29  15.08 +/- 3.42   1.329% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.78 +/- 4.13   0.780% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  14.10 +/- 3.25   0.777% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.47 +/- 1.86   0.380% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  18.37 +/- 3.07   0.243% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.15 +/- 3.85   0.094% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.63 +/- 3.83   0.074% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  23.95 +/- 2.94   0.105% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.95 +/- 1.80   0.195% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 92.4:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.554% * 99.6674% (1.00  10.0 10.00   4.21  92.44) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  21.22 +/- 7.20   0.127% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  22.81 +/- 3.60   0.067% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  21.35 +/- 2.45   0.061% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  26.07 +/- 5.06   0.047% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.44 +/- 3.29   0.091% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.46 +/- 2.72   0.053% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HB3   GLN   17   2.39 +/- 0.12  95.933% * 98.5118% (0.76  10.0 10.00   4.31  84.39) =  99.981%  kept
        T HB    VAL   70 - HB3   GLN   17  10.84 +/- 2.69   1.432% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.016%
          HG2   GLU- 100 - HB3   GLN   17  19.16 +/- 5.09   1.019% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB3   GLN   17  18.05 +/- 3.33   0.748% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLN   17  18.36 +/- 3.90   0.346% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.26 +/- 3.87   0.331% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.40 +/- 3.68   0.190% *  0.0440% (0.34   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 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.99, residual support = 84.2:
    * O T HA    GLN   17 - HB3   GLN   17   2.76 +/- 0.25  74.068% * 98.6730% (1.00  10.0 10.00   4.00  84.39) =  99.788%  kept
          HA    GLU-  15 - HB3   GLN   17   5.14 +/- 0.71  16.165% *  0.9259% (0.57   1.0  1.00   0.33   0.02) =   0.204%  kept
          HA    SER   13 - HB3   GLN   17   9.49 +/- 1.59   2.958% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HB3   GLN   17  17.01 +/- 4.41   2.141% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   GLN   17  13.39 +/- 3.72   2.698% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   GLN   17  14.14 +/- 2.18   0.758% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  14.29 +/- 3.81   0.932% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   GLN   17  19.41 +/- 3.38   0.281% *  0.0978% (0.99   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 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 4.05, residual support = 82.5:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  81.129% * 78.7726% (1.00  10.0 10.00   4.14  84.39) =  97.707%  kept
        T HB3   PRO   68 - HB3   GLN   17  12.47 +/- 4.78  10.886% * 12.2136% (0.80   1.0 10.00   0.39   0.02) =   2.033%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.25 +/- 0.62   1.977% *  8.3584% (1.00   1.0 10.00   0.21   0.02) =   0.253%  kept
        T HG3   GLN   30 - HB3   GLN   17  10.31 +/- 2.10   0.969% *  0.3238% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          HG2   PRO   68 - HB3   GLN   17  12.66 +/- 3.97   1.992% *  0.0383% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HB3   GLN   17   7.29 +/- 1.16   1.591% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HB3   GLN   17  19.82 +/- 5.39   0.662% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  18.67 +/- 3.21   0.139% *  0.0745% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  11.41 +/- 2.17   0.511% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  23.33 +/- 3.60   0.052% *  0.0510% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  27.04 +/- 4.03   0.033% *  0.0781% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  21.79 +/- 3.67   0.061% *  0.0138% (0.18   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 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 = 0.874, support = 3.28, residual support = 45.8:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.72 +/- 0.24  57.208% * 72.0932% (1.00  10.0 10.00   3.10  45.28) =  80.037%  kept
      O T HG3   MET   11 - HA    MET   11   3.26 +/- 0.57  38.393% * 26.7625% (0.37  10.0 10.00   4.00  48.10) =  19.940%  kept
        T HG3   MET   11 - HA    GLU-  14  11.21 +/- 1.10   0.982% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   GLU-  14 - HA    MET   11  10.25 +/- 1.64   1.624% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   40 - HA    GLU-  14  16.18 +/- 3.00   0.741% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   96 - HA    GLU-  14  22.55 +/- 3.88   0.148% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.94 +/- 4.69   0.219% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.04 +/- 6.43   0.345% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.84 +/- 4.72   0.182% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.40 +/- 5.40   0.071% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.82 +/- 3.35   0.055% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.12 +/- 4.90   0.032% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 61.3:
    * O T HB2   MET   92 - HA    MET   92   2.70 +/- 0.29  90.299% * 99.5277% (1.00  10.0 10.00   3.87  61.32) =  99.996%  kept
          HB    ILE   56 - HA    MET   92  14.51 +/- 4.11   2.079% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HA    MET   92   8.46 +/- 0.78   3.365% *  0.0197% (0.20   1.0  1.00   0.02   0.11) =   0.001%
          QB    LYS+  81 - HA    MET   92  12.03 +/- 3.25   2.017% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HA    MET   92  18.10 +/- 3.18   0.434% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.15 +/- 1.05   1.167% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.31 +/- 3.07   0.247% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.18 +/- 1.73   0.088% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.79 +/- 2.09   0.154% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.74 +/- 4.26   0.102% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  35.67 +/- 4.86   0.048% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 4.24, residual support = 59.2:
    * O T HB3   MET   92 - HA    MET   92   2.91 +/- 0.10  75.073% * 83.8414% (1.00  10.0 10.00   4.22  61.32) =  96.462%  kept
          HG3   PRO   93 - HA    MET   92   5.23 +/- 0.67  14.814% * 15.5405% (0.76   1.0  1.00   4.85   1.91) =   3.528%  kept
          HD2   LYS+ 111 - HA    MET   92  12.66 +/- 3.78   2.901% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU  123 - HA    MET   92  21.69 +/- 4.61   3.147% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HA    MET   92  13.12 +/- 1.28   0.914% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  16.58 +/- 2.96   0.581% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  12.22 +/- 3.23   2.057% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    MET   92  26.07 +/- 1.87   0.113% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  21.86 +/- 1.01   0.186% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.16 +/- 2.39   0.214% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 61.3:
    * O T HG2   MET   92 - HA    MET   92   2.80 +/- 0.50  71.342% * 99.5593% (1.00  10.0 10.00   2.49  61.32) =  99.972%  kept
          HG2   PRO   52 - HA    MET   92   9.85 +/- 5.52  23.053% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.021%
          QG    GLU- 114 - HA    MET   92  11.26 +/- 2.32   2.736% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HA    MET   92  12.62 +/- 3.19   2.529% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HA    MET   92  24.53 +/- 4.47   0.204% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.11 +/- 2.36   0.064% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  31.04 +/- 4.42   0.073% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.3:
    * O T HG3   MET   92 - HA    MET   92   3.13 +/- 0.71  81.727% * 99.3565% (1.00  10.0 10.00   3.97  61.32) =  99.984%  kept
        T HB2   ASP-  44 - HA    MET   92  11.10 +/- 1.36   3.315% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          QG    GLN   90 - HA    MET   92   7.67 +/- 0.52   8.005% *  0.0339% (0.34   1.0  1.00   0.02   0.11) =   0.003%
          HB3   ASP-  76 - HA    MET   92  12.53 +/- 2.22   2.562% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    MET   92  15.31 +/- 2.65   1.797% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HA    MET   92  16.51 +/- 1.98   0.931% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  25.04 +/- 3.64   0.231% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.71 +/- 2.09   0.722% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  26.46 +/- 1.76   0.179% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.91 +/- 4.12   0.284% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  24.61 +/- 3.09   0.249% *  0.0134% (0.14   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 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.922, support = 1.88, residual support = 5.78:
          HB    VAL  108 - QB    LYS+ 106   4.42 +/- 0.18  72.429% * 79.7549% (0.92  1.00   1.89   5.83) =  99.103%  kept
          HB    ILE  119 - QB    LYS+ 106  13.46 +/- 3.96   3.919% *  7.1584% (1.00  1.00   0.16   0.02) =   0.481%  kept
        T HB2   GLN   30 - QB    LYS+ 106  16.75 +/- 2.21   1.618% *  9.1185% (1.00 10.00   0.02   0.02) =   0.253%  kept
          HB2   PRO   93 - QB    LYS+ 106  10.54 +/- 0.77   5.650% *  0.5162% (0.57  1.00   0.02   0.02) =   0.050%
          HB3   GLU- 100 - QB    LYS+ 106  14.58 +/- 1.06   2.205% *  0.9038% (0.99  1.00   0.02   0.02) =   0.034%
          HB2   LYS+ 111 - QB    LYS+ 106  11.96 +/- 2.25   7.894% *  0.2030% (0.22  1.00   0.02   0.02) =   0.027%
          HG3   GLN   30 - QB    LYS+ 106  17.72 +/- 2.27   1.373% *  0.7910% (0.87  1.00   0.02   0.02) =   0.019%
          HB2   ARG+  54 - QB    LYS+ 106  19.25 +/- 2.42   1.033% *  0.7910% (0.87  1.00   0.02   0.02) =   0.014%
          HB3   PRO   68 - QB    LYS+ 106  18.35 +/- 3.11   1.474% *  0.4438% (0.49  1.00   0.02   0.02) =   0.011%
          QB    GLU-  15 - QB    LYS+ 106  19.36 +/- 3.44   1.241% *  0.1597% (0.18  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QB    LYS+ 106  19.74 +/- 3.43   1.163% *  0.1597% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.46 A violated in 0 structures by 0.96 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.4:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.03  98.193% * 99.8873% (0.76  10.0   4.64  26.41) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75  10.10 +/- 2.19   1.292% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  15.14 +/- 2.19   0.516% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.22, residual support = 82.4:
      O   HN    VAL   75 - HA    VAL   75   2.91 +/- 0.02  93.562% * 93.1826% (0.90  10.0   5.24  82.86) =  99.499%  kept
          HN    ASP-  78 - HA    VAL   75   7.16 +/- 0.31   6.438% *  6.8174% (0.95   1.0   1.39   0.30) =   0.501%  kept
    Distance limit 3.78 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 = 0.514, support = 0.672, residual support = 15.6:
          HA    PHE   45 - HB    VAL   75   4.91 +/- 2.31  71.147% * 69.3633% (0.45   0.75  17.86) =  87.292%  kept
          HA    VAL   41 - HB    VAL   75   9.83 +/- 1.59  26.437% * 26.8282% (0.97   0.13   0.02) =  12.546%  kept
          HA    HIS  122 - HB    VAL   75  18.42 +/- 2.91   2.416% *  3.8085% (0.92   0.02   0.02) =   0.163%  kept
    Distance limit 3.74 A violated in 4 structures by 0.97 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 17.8:
          QD    PHE   45 - HB    VAL   75   4.83 +/- 1.77  80.427% * 98.5801% (0.87   2.14  17.86) =  99.826%  kept
          HE22  GLN  116 - HB    VAL   75  18.86 +/- 4.01  11.838% *  0.6887% (0.65   0.02   0.02) =   0.103%  kept
          HD2   HIS  122 - HB    VAL   75  15.41 +/- 2.81   7.735% *  0.7313% (0.69   0.02   0.02) =   0.071%
    Distance limit 3.81 A violated in 4 structures by 1.05 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 1.42, residual support = 3.65:
        T HZ    PHE   72 - HB    VAL   75   5.99 +/- 0.78  74.625% * 99.9652% (0.80 10.00   1.42   3.65) =  99.988%  kept
          HZ2   TRP   27 - HB    VAL   75  10.29 +/- 2.60  25.375% *  0.0348% (0.20  1.00   0.02   1.07) =   0.012%
    Distance limit 4.18 A violated in 14 structures by 1.82 A, kept.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 4.45, residual support = 82.8:
      O   HN    VAL   75 - HB    VAL   75   2.41 +/- 0.38  97.061% * 97.2804% (0.99  10.0   4.46  82.86) =  99.915%  kept
          HN    ASP-  78 - HB    VAL   75   8.29 +/- 0.32   2.939% *  2.7196% (0.65   1.0   0.86   0.30) =   0.085%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.369, support = 2.42, residual support = 16.8:
        T QE    PHE   45 - QG1   VAL   75   3.97 +/- 2.14  57.652% * 82.0047% (0.34 10.00   2.53  17.86) =  92.553%  kept
          HZ    PHE   72 - QG1   VAL   75   6.50 +/- 1.01  20.529% *  9.4946% (0.90  1.00   0.88   3.65) =   3.816%  kept
          QD    PHE   72 - QG1   VAL   75   5.98 +/- 0.99  21.819% *  8.5007% (0.53  1.00   1.34   3.65) =   3.631%  kept
    Distance limit 3.34 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 3.12, residual support = 17.8:
          QD    PHE   45 - QG1   VAL   75   3.38 +/- 2.11  73.879% * 99.5847% (1.00   3.12  17.86) =  99.927%  kept
          HE22  GLN  116 - QG1   VAL   75  15.98 +/- 3.68  13.886% *  0.1973% (0.31   0.02   0.02) =   0.037%
          HD2   HIS  122 - QG1   VAL   75  13.48 +/- 2.15  12.235% *  0.2180% (0.34   0.02   0.02) =   0.036%
    Distance limit 3.42 A violated in 3 structures by 0.71 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.9, residual support = 73.3:
          HN    VAL   75 - QG1   VAL   75   3.51 +/- 0.28  78.217% * 68.1153% (0.90   5.24  82.86) =  88.467%  kept
          HN    ASP-  78 - QG1   VAL   75   5.47 +/- 0.38  21.783% * 31.8847% (0.95   2.33   0.30) =  11.533%  kept
    Distance limit 3.88 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   3.01 +/- 0.24  92.351% * 99.1031% (0.41   4.97  26.41) =  99.955%  kept
          HN    VAL  108 - QG1   VAL   75  11.23 +/- 2.20   5.155% *  0.7048% (0.73   0.02   0.02) =   0.040%
          HN    HIS   22 - QG1   VAL   75  10.55 +/- 1.30   2.495% *  0.1921% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.679, support = 0.02, residual support = 1.18:
          HB2   CYS   21 - QG2   VAL   75   7.77 +/- 2.39  58.085% * 67.1992% (0.76   0.02   1.38) =  85.250%  kept
          QE    LYS+  81 - QG2   VAL   75  11.41 +/- 1.66  26.979% * 15.3994% (0.18   0.02   0.02) =   9.074%  kept
          QE    LYS+ 111 - QG2   VAL   75  14.23 +/- 2.52  14.936% * 17.4014% (0.20   0.02   0.02) =   5.676%  kept
    Distance limit 3.72 A violated in 15 structures by 3.59 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.651, support = 0.75, residual support = 11.8:
          HZ    PHE   45 - QG2   VAL   75   5.73 +/- 1.92  51.218% * 63.0260% (0.76   0.75  17.86) =  64.154%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.70 +/- 3.31  48.782% * 36.9740% (0.45   0.75   1.07) =  35.846%  kept
    Distance limit 3.42 A violated in 9 structures by 1.39 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.941, support = 1.86, residual support = 13.7:
          QE    PHE   45 - QG2   VAL   75   4.36 +/- 1.57  44.820% * 63.3873% (0.97   2.22  17.86) =  70.849%  kept
          QD    PHE   72 - QG2   VAL   75   4.61 +/- 1.34  39.913% * 24.7486% (1.00   0.84   3.65) =  24.633%  kept
          HZ    PHE   72 - QG2   VAL   75   6.17 +/- 0.70  15.267% * 11.8641% (0.25   1.61   3.65) =   4.517%  kept
    Distance limit 3.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.789, support = 0.589, residual support = 0.979:
          HE3   TRP   27 - QG2   VAL   75   6.82 +/- 3.00  30.999% * 80.9218% (0.80   0.64   1.07) =  91.565%  kept
          QE    PHE   95 - QG2   VAL   75   7.02 +/- 1.73  24.235% *  3.1175% (0.98   0.02   0.02) =   2.758%  kept
          HD2   HIS   22 - QG2   VAL   75  10.44 +/- 1.78  10.563% *  7.0932% (0.20   0.23   0.02) =   2.735%  kept
          HN    THR   23 - QG2   VAL   75   8.80 +/- 2.00  11.881% *  3.0694% (0.97   0.02   0.02) =   1.331%  kept
          HN    LEU   67 - QG2   VAL   75   9.01 +/- 1.44  15.393% *  2.0575% (0.65   0.02   0.02) =   1.156%  kept
          QD    PHE   55 - QG2   VAL   75  14.08 +/- 2.14   3.193% *  2.7589% (0.87   0.02   0.02) =   0.322%  kept
          HD1   TRP   49 - QG2   VAL   75  12.60 +/- 1.91   3.736% *  0.9817% (0.31   0.02   0.02) =   0.134%  kept
    Distance limit 3.62 A violated in 7 structures by 0.98 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 4.92, residual support = 81.1:
          HN    VAL   75 - QG2   VAL   75   2.99 +/- 0.47  91.920% * 79.9990% (0.90   5.00  82.86) =  97.850%  kept
          HN    ASP-  78 - QG2   VAL   75   7.17 +/- 0.75   8.080% * 20.0010% (0.95   1.19   0.30) =   2.150%  kept
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   5.37 +/- 1.87  87.435% * 48.3894% (0.61   0.02   0.02) =  86.710%  kept
          HN    VAL  108 - QG2   VAL   75  11.58 +/- 2.07  12.565% * 51.6106% (0.65   0.02   0.02) =  13.290%  kept
    Distance limit 4.06 A violated in 6 structures by 1.43 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.71, residual support = 35.7:
      O   HN    ASP-  76 - HB3   ASP-  76   2.87 +/- 0.60  98.716% * 99.4520% (0.15  10.0   3.71  35.71) =  99.993%  kept
          HN    VAL  108 - HB3   ASP-  76  17.48 +/- 3.18   1.284% *  0.5480% (0.84   1.0   0.02   0.02) =   0.007%
    Distance limit 3.42 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.67, residual support = 35.7:
      O   HN    ASP-  76 - HB2   ASP-  76   2.98 +/- 0.44  87.018% * 99.6604% (0.41  10.0   3.67  35.71) =  99.990%  kept
          HN    VAL  108 - HB2   ASP-  76  17.34 +/- 3.15   3.230% *  0.1760% (0.73   1.0   0.02   0.02) =   0.007%
          HN    HIS   22 - HB2   ASP-  76  11.32 +/- 3.69   2.643% *  0.0480% (0.20   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - QE    LYS+  66  18.39 +/- 4.45   2.043% *  0.0366% (0.15   1.0   0.02   0.02) =   0.001%
          HN    ASP-  76 - QE    LYS+  66  14.19 +/- 2.68   1.147% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.12 +/- 1.79   1.996% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.69 +/- 2.75   0.694% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  16.69 +/- 3.44   0.924% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  22.79 +/- 3.03   0.305% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.377, support = 0.591, residual support = 0.585:
          HN    LEU   80 - HA    THR   77   5.23 +/- 1.46  84.250% * 87.9633% (0.38   0.60   0.59) =  99.054%  kept
          HN    CYS   53 - HA    THR   77  14.61 +/- 2.94   8.680% *  4.7671% (0.61   0.02   0.02) =   0.553%  kept
          HN    THR   26 - HA    THR   77  16.52 +/- 3.72   4.808% *  5.0844% (0.65   0.02   0.02) =   0.327%  kept
          HN    ALA   34 - HA    THR   77  20.45 +/- 2.24   2.262% *  2.1853% (0.28   0.02   0.02) =   0.066%
    Distance limit 3.67 A violated in 9 structures by 1.59 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.65, support = 4.71, residual support = 28.2:
      O   HN    ASP-  78 - HA    THR   77   3.51 +/- 0.09  91.568% * 91.7274% (0.65  10.0   4.74  28.41) =  99.176%  kept
          HN    VAL   75 - HA    THR   77   7.84 +/- 0.33   8.432% *  8.2726% (0.99   1.0   1.18   0.72) =   0.824%  kept
    Distance limit 3.94 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 +/- 0.05 100.000% *100.0000% (0.53  10.0   4.02  37.47) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.15, residual support = 10.2:
        T QD    PHE   45 - QG2   THR   77   4.39 +/- 2.92 100.000% *100.0000% (0.80 10.00   3.15  10.17) = 100.000%  kept
    Distance limit 3.26 A violated in 6 structures by 1.46 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.61, residual support = 10.9:
          HN    THR   46 - QG2   THR   77   4.76 +/- 3.23  51.198% * 98.1773% (0.87   3.63  10.96) =  99.552%  kept
          HN    LYS+  74 - QG2   THR   77   9.52 +/- 0.96  16.618% *  0.6120% (0.98   0.02   0.02) =   0.201%  kept
          HN    MET   92 - QG2   THR   77   7.51 +/- 3.57  17.910% *  0.4289% (0.69   0.02   0.02) =   0.152%  kept
          HN    LYS+ 112 - QG2   THR   77  12.89 +/- 3.28  13.584% *  0.3285% (0.53   0.02   0.02) =   0.088%
          HN    MET   11 - QG2   THR   77  26.49 +/- 4.73   0.689% *  0.4534% (0.73   0.02   0.02) =   0.006%
    Distance limit 3.48 A violated in 4 structures by 1.06 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   2.35 +/- 0.43 100.000% *100.0000% (0.87   4.02  37.47) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.615, support = 1.59, residual support = 6.25:
          HA    ALA   20 - HB2   LYS+  74   5.12 +/- 4.32  74.467% * 77.7008% (0.61   1.70   6.84) =  91.041%  kept
          HA    LEU   71 - HB2   LYS+  74   9.12 +/- 1.90  25.533% * 22.2992% (0.64   0.47   0.22) =   8.959%  kept
    Distance limit 3.83 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.769, support = 2.36, residual support = 5.96:
          HA    ALA   20 - HB3   LYS+  74   4.83 +/- 4.78  74.556% * 68.8183% (0.76   2.55   6.84) =  86.608%  kept
          HA    LEU   71 - HB3   LYS+  74   9.42 +/- 2.06  25.444% * 31.1817% (0.80   1.10   0.22) =  13.392%  kept
    Distance limit 3.75 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.5:
      O   HA    LYS+  74 - HB3   LYS+  74   2.90 +/- 0.21  97.811% * 99.8966% (0.80  10.0   6.20 186.53) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  13.91 +/- 1.85   1.361% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  15.29 +/- 1.77   0.828% *  0.0278% (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 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   2.52 +/- 0.22  99.726% * 99.9221% (0.49  10.0 10.00   5.98 132.29) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.66 +/- 2.47   0.274% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.416, support = 1.7, residual support = 1.79:
          HB3   MET   92 - HB3   PRO   93   4.77 +/- 0.57  42.146% * 75.0696% (0.41  1.00   1.81   1.91) =  93.797%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.43 +/- 3.60  18.518% *  6.2125% (0.31 10.00   0.02   0.02) =   3.411%  kept
          QG1   ILE   56 - HB3   PRO   93   8.41 +/- 3.61  24.922% *  1.8051% (0.90  1.00   0.02   0.02) =   1.334%  kept
        T HB2   LEU   73 - HB3   PRO   93  14.76 +/- 3.22   3.174% * 11.3956% (0.57 10.00   0.02   0.02) =   1.072%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.82 +/- 1.85   4.523% *  1.5382% (0.76  1.00   0.02   0.02) =   0.206%  kept
          HB    ILE   89 - HB3   PRO   93  10.30 +/- 1.38   5.537% *  0.7554% (0.38  1.00   0.02   0.02) =   0.124%  kept
          QD    LYS+  99 - HB3   PRO   93  19.29 +/- 1.31   0.641% *  1.6117% (0.80  1.00   0.02   0.02) =   0.031%
          HB3   LYS+  99 - HB3   PRO   93  20.34 +/- 1.17   0.538% *  1.6117% (0.80  1.00   0.02   0.02) =   0.026%
    Distance limit 3.47 A violated in 0 structures by 0.73 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  95.607% * 99.4465% (0.80  10.0   6.01 132.29) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93  10.08 +/- 4.58   2.002% *  0.0853% (0.69   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HB3   PRO   93   9.97 +/- 1.92   0.747% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  12.98 +/- 3.05   0.362% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  12.98 +/- 3.42   0.395% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.32 +/- 2.63   0.721% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  26.60 +/- 3.26   0.032% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  20.01 +/- 2.26   0.082% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  33.75 +/- 4.46   0.017% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.73 +/- 1.37   0.035% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.52 +/- 0.22 100.000% *100.0000% (0.92  10.0   5.13 132.29) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.128:
          QD    PHE   45 - HB3   PRO   93   6.94 +/- 1.14 100.000% *100.0000% (0.76   0.02   0.13) = 100.000%  kept
    Distance limit 4.16 A violated in 17 structures by 2.77 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.941, support = 2.01, residual support = 13.7:
          QD1   ILE   19 - HG2   GLN   30   4.35 +/- 1.39  53.820% * 80.8747% (0.95   2.13  14.76) =  92.503%  kept
          QG2   VAL   18 - HG2   GLN   30   8.45 +/- 2.11  20.343% * 16.7429% (0.90   0.47   0.02) =   7.239%  kept
          QG1   VAL   41 - HG2   GLN   30   8.35 +/- 2.94  17.392% *  0.3899% (0.49   0.02   0.02) =   0.144%  kept
          QG1   VAL   43 - HG2   GLN   30  10.63 +/- 2.76   4.471% *  0.5503% (0.69   0.02   0.02) =   0.052%
          QG2   THR   46 - HG2   GLN   30  14.60 +/- 1.79   2.412% *  0.7731% (0.97   0.02   0.02) =   0.040%
          QD2   LEU  104 - HG2   GLN   30  14.95 +/- 2.36   1.562% *  0.6691% (0.84   0.02   0.02) =   0.022%
    Distance limit 3.87 A violated in 2 structures by 0.34 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.605, support = 0.749, residual support = 4.86:
        T QG2   THR   26 - HG2   GLN   30   3.04 +/- 0.71  86.411% * 87.3618% (0.61 10.00   0.75   4.87) =  99.814%  kept
        T HD3   LYS+  74 - HG2   GLN   30  13.22 +/- 2.24   2.273% *  2.1746% (0.57 10.00   0.02   0.02) =   0.065%
        T QD    LYS+  66 - HG2   GLN   30  16.71 +/- 2.47   1.115% *  3.8324% (1.00 10.00   0.02   0.02) =   0.056%
        T HD2   LYS+ 121 - HG2   GLN   30  22.72 +/- 5.73   0.555% *  2.9354% (0.76 10.00   0.02   0.02) =   0.022%
        T HB3   LYS+ 121 - HG2   GLN   30  23.72 +/- 5.68   0.525% *  2.7891% (0.73 10.00   0.02   0.02) =   0.019%
          HG2   LYS+  65 - HG2   GLN   30  15.55 +/- 2.42   3.137% *  0.2638% (0.69  1.00   0.02   0.02) =   0.011%
          HB2   LYS+  74 - HG2   GLN   30  10.77 +/- 2.21   4.971% *  0.1310% (0.34  1.00   0.02   0.02) =   0.009%
          HG    LEU  104 - HG2   GLN   30  18.19 +/- 2.79   0.776% *  0.2789% (0.73  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HG2   GLN   30  26.52 +/- 3.81   0.238% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.03, residual support = 238.0:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.75 +/- 0.28  95.354% * 99.8036% (0.95  10.0 10.00   7.03 238.04) =  99.995%  kept
          QG1   VAL   42 - HB3   LYS+ 112  12.65 +/- 2.65   2.550% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   47 - HB3   LYS+ 112  11.83 +/- 2.67   2.096% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.41 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 = 6.52, residual support = 238.0:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.68 +/- 0.31  95.292% * 99.8561% (0.73  10.0 10.00   6.52 238.04) =  99.998%  kept
          HB2   HIS   22 - HB3   LYS+ 112  24.44 +/- 7.37   1.647% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB3   LYS+ 112  12.38 +/- 3.24   2.547% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB3   LYS+ 112  16.04 +/- 1.06   0.514% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 238.0:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.51 +/- 0.47  95.982% * 99.7523% (0.97  10.0   5.99 238.04) =  99.998%  kept
          HN    LYS+  74 - HB3   LYS+ 112  19.73 +/- 4.60   0.862% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HB3   LYS+ 112  13.73 +/- 3.54   2.285% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HB3   LYS+ 112  14.13 +/- 2.96   0.806% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  37.59 +/- 6.45   0.064% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.74, residual support = 238.0:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.88 +/- 0.62  83.967% * 99.6310% (0.84  10.0   5.74 238.04) =  99.993%  kept
          HN    LYS+  74 - HB    VAL   42   8.68 +/- 1.94  12.548% *  0.0310% (0.26   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB    VAL   42  17.20 +/- 3.06   0.636% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  18.78 +/- 5.57   1.195% *  0.0407% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB2   LYS+ 112  19.76 +/- 4.68   0.692% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  16.04 +/- 1.48   0.692% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  25.51 +/- 4.13   0.208% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  37.62 +/- 6.61   0.062% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 2.48, residual support = 4.42:
          HA    PHE   72 - HB    VAL   42   5.18 +/- 1.85  62.896% * 94.0648% (0.85   2.52   4.53) =  97.492%  kept
          HA    MET   96 - HB    VAL   42   8.18 +/- 1.73  28.376% *  5.2898% (0.19   0.63   0.02) =   2.473%  kept
          HA    PHE   72 - HB2   LYS+ 112  20.56 +/- 3.94   2.574% *  0.5259% (0.60   0.02   0.02) =   0.022%
          HA    MET   96 - HB2   LYS+ 112  15.33 +/- 2.49   6.153% *  0.1195% (0.14   0.02   0.02) =   0.012%
    Distance limit 3.84 A violated in 11 structures by 1.39 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.94, residual support = 82.6:
      O   HN    VAL   42 - HB    VAL   42   2.73 +/- 0.28  66.436% * 84.1720% (0.80  10.0   6.10  88.48) =  93.296%  kept
          HN    LEU   73 - HB    VAL   42   5.63 +/- 1.78  25.796% * 15.5654% (0.80   1.0   3.70   1.52) =   6.699%  kept
          HN    LYS+ 106 - HB    VAL   42  11.28 +/- 2.45   1.600% *  0.0590% (0.56   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HB2   LYS+ 112  14.77 +/- 3.15   2.109% *  0.0416% (0.40   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HB    VAL   42   9.87 +/- 3.53   2.781% *  0.0254% (0.24   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HB2   LYS+ 112  18.86 +/- 2.98   0.456% *  0.0594% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  19.60 +/- 4.13   0.422% *  0.0594% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.93 +/- 4.66   0.398% *  0.0179% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.52, support = 1.6, residual support = 2.52:
          QD    PHE   60 - HB    VAL   42   8.72 +/- 2.48  16.172% * 58.8410% (0.66   2.00   3.82) =  56.649%  kept
          QD    PHE   60 - HB2   LYS+ 112  10.80 +/- 3.15  17.427% * 24.4996% (0.47   1.18   0.52) =  25.417%  kept
          QD    PHE   55 - HB2   LYS+ 112   6.18 +/- 4.43  43.333% *  5.1025% (0.12   0.95   1.59) =  13.163%  kept
          HE3   TRP   27 - HB    VAL   42   9.70 +/- 2.21   7.963% *  9.6022% (0.22   1.00   0.32) =   4.552%  kept
          HN    LYS+  66 - HB    VAL   42  10.17 +/- 1.91   7.616% *  0.2141% (0.24   0.02   0.02) =   0.097%
          HN    LYS+  81 - HB    VAL   42  19.45 +/- 2.00   0.898% *  0.7631% (0.86   0.02   0.02) =   0.041%
          HN    LYS+  66 - HB2   LYS+ 112  17.04 +/- 3.15   3.744% *  0.1511% (0.17   0.02   0.02) =   0.034%
          HN    LYS+  81 - HB2   LYS+ 112  22.65 +/- 4.70   0.946% *  0.5386% (0.61   0.02   0.02) =   0.030%
          HE3   TRP   27 - HB2   LYS+ 112  21.97 +/- 3.93   1.038% *  0.1355% (0.15   0.02   0.02) =   0.008%
          QD    PHE   55 - HB    VAL   42  17.07 +/- 2.21   0.865% *  0.1524% (0.17   0.02   0.02) =   0.008%
    Distance limit 4.05 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.484, support = 0.854, residual support = 4.53:
        T QD    PHE   72 - HB    VAL   42   4.00 +/- 1.04  60.610% * 80.4769% (0.46 10.00   0.83   4.53) =  91.293%  kept
          HZ    PHE   72 - HB    VAL   42   6.40 +/- 2.21  26.047% * 17.7140% (0.78  1.00   1.08   4.53) =   8.636%  kept
        T QD    PHE   72 - HB2   LYS+ 112  16.05 +/- 3.14   1.649% *  1.3631% (0.32 10.00   0.02   0.02) =   0.042%
          QE    PHE   45 - HB    VAL   42   9.43 +/- 1.48   7.192% *  0.1252% (0.30  1.00   0.02   0.02) =   0.017%
          HZ    PHE   72 - HB2   LYS+ 112  16.63 +/- 3.56   1.923% *  0.2324% (0.55  1.00   0.02   0.02) =   0.008%
          QE    PHE   45 - HB2   LYS+ 112  15.11 +/- 3.05   2.579% *  0.0884% (0.21  1.00   0.02   0.02) =   0.004%
    Distance limit 3.97 A violated in 1 structures by 0.40 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   2.75 +/- 0.15  98.536% * 99.2681% (0.14  10.0   2.86  15.43) =  99.989%  kept
          HN    LEU   40 - HA1   GLY  101  13.26 +/- 4.51   1.464% *  0.7319% (1.00   1.0   0.02   0.02) =   0.011%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.73 +/- 0.23  98.669% * 99.7871% (0.38  10.0   2.86  15.43) =  99.997%  kept
          HN    LEU   40 - HA2   GLY  101  13.55 +/- 4.59   1.331% *  0.2129% (0.80   1.0   0.02   0.02) =   0.003%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.17:
      O   HN    SER   13 - HA    ALA   12   2.57 +/- 0.24  99.349% * 99.9814% (0.84  10.0   1.72   5.17) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.78 +/- 1.91   0.651% *  0.0186% (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 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   2.74 +/- 0.23  97.954% * 99.8617% (0.85  10.0   2.38  12.48) =  99.999%  kept
          HN    ASN   35 - HA    ALA   12  17.07 +/- 4.73   1.825% *  0.0618% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ALA   12  28.12 +/- 4.44   0.152% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  34.21 +/- 4.19   0.068% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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   2.72 +/- 0.24  92.938% * 99.7294% (0.46  10.0   2.29  12.48) =  99.987%  kept
          HN    ASN   35 - QB    ALA   12  14.48 +/- 4.21   6.417% *  0.1891% (0.87   1.0   0.02   0.02) =   0.013%
          HN    LYS+  99 - QB    ALA   12  21.90 +/- 5.16   0.462% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  23.72 +/- 3.01   0.183% *  0.0359% (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 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 11.9:
      O   HN    ALA   12 - HA    MET   11   2.60 +/- 0.27  92.736% * 99.5700% (0.65  10.0   3.51  11.87) =  99.997%  kept
          HN    ALA   12 - HA    GLU-  14   8.04 +/- 0.70   4.252% *  0.0391% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    MET   11  18.93 +/- 5.65   0.938% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  14.37 +/- 3.54   1.646% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  30.24 +/- 5.19   0.096% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.29 +/- 3.59   0.200% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  36.28 +/- 5.21   0.053% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  29.52 +/- 3.33   0.079% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 3.59, residual support = 11.9:
          HN    ALA   12 - HG3   MET   11   4.35 +/- 0.37  72.009% * 98.7335% (0.97   3.59  11.87) =  99.925%  kept
          HN    ALA   12 - HB3   GLU-  14   8.27 +/- 1.72  20.684% *  0.1951% (0.34   0.02   0.02) =   0.057%
          HN    ASN   35 - HG3   MET   11  19.58 +/- 5.52   2.162% *  0.3224% (0.57   0.02   0.02) =   0.010%
          HN    ASN   35 - HB3   GLU-  14  14.56 +/- 3.06   3.568% *  0.1145% (0.20   0.02   0.02) =   0.006%
          HN    PHE   97 - HG3   MET   11  30.85 +/- 4.66   0.330% *  0.2341% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  23.20 +/- 3.91   0.761% *  0.0831% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  36.95 +/- 5.23   0.167% *  0.2341% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  29.46 +/- 4.17   0.319% *  0.0831% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.64:
      O   HN    GLU-  14 - HA    SER   13   2.62 +/- 0.37  87.857% * 99.1146% (0.92  10.0   2.10   6.64) =  99.993%  kept
          HN    GLN   30 - HA    SER   13  15.65 +/- 3.29   1.261% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    SER   37  13.01 +/- 3.29   1.878% *  0.0530% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    SER   13  17.10 +/- 4.07   1.995% *  0.0331% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   37  13.18 +/- 0.96   1.012% *  0.0459% (0.43   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    THR   46  14.20 +/- 1.86   0.947% *  0.0472% (0.44   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    THR   46  16.08 +/- 3.31   0.850% *  0.0520% (0.48   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    THR   46  19.29 +/- 2.74   0.760% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.74 +/- 5.90   0.454% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  22.12 +/- 7.36   0.764% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  15.60 +/- 4.02   0.640% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  19.53 +/- 2.42   0.284% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.23 +/- 0.92   0.609% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  25.96 +/- 3.94   0.123% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.24 +/- 3.69   0.133% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  31.45 +/- 6.01   0.075% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  20.59 +/- 2.79   0.260% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  28.27 +/- 4.47   0.099% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.615, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.91 +/- 1.93  15.325% * 21.8157% (0.99   0.02   0.02) =  29.854%  kept
          HN    ILE   19 - HA    SER   37  13.81 +/- 2.21  13.460% * 11.6574% (0.53   0.02   0.02) =  14.012%  kept
          HN    ILE   19 - HA    THR   46  15.89 +/- 3.24   8.539% * 13.2032% (0.60   0.02   0.02) =  10.068%  kept
          HN    LEU   73 - HA    THR   46  13.02 +/- 1.23  14.015% *  7.5418% (0.34   0.02   0.02) =   9.438%  kept
          HN    LEU   73 - HA    SER   13  17.00 +/- 3.55   7.358% * 12.4613% (0.57   0.02   0.02) =   8.187%  kept
          HN    VAL   42 - HA    THR   46  13.70 +/- 0.71  11.527% *  7.5418% (0.34   0.02   0.02) =   7.763%  kept
          HN    VAL   42 - HA    SER   37  13.33 +/- 0.52  12.408% *  6.6588% (0.30   0.02   0.02) =   7.378%  kept
          HN    LEU   73 - HA    SER   37  13.82 +/- 1.21  11.634% *  6.6588% (0.30   0.02   0.02) =   6.918%  kept
          HN    VAL   42 - HA    SER   13  18.66 +/- 3.57   5.735% * 12.4613% (0.57   0.02   0.02) =   6.382%  kept
    Distance limit 3.44 A violated in 20 structures by 5.93 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   2.83 +/- 0.56  92.046% * 99.5355% (0.83  10.0   3.80  29.74) =  99.995%  kept
          HN    SER   37 - QB    SER   13  12.71 +/- 3.37   4.435% *  0.0762% (0.63   1.0   0.02   0.02) =   0.004%
          HN    CYS   21 - QB    SER   13  14.64 +/- 2.74   2.014% *  0.0288% (0.24   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB3   SER   37  15.36 +/- 2.09   0.804% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  24.90 +/- 4.18   0.196% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  26.34 +/- 3.34   0.154% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  28.10 +/- 4.46   0.184% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  26.34 +/- 3.41   0.167% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.643, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  22.66 +/- 4.19  26.317% * 22.8936% (0.69   0.02   0.02) =  39.371%  kept
          HA    TRP   87 - HB3   GLU-  14  28.87 +/- 5.97  12.531% * 33.2545% (1.00   0.02   0.02) =  27.232%  kept
          HA    LEU  104 - HB3   GLU-  14  25.05 +/- 4.99  19.426% * 12.5086% (0.38   0.02   0.02) =  15.879%  kept
          HA    PHE   59 - HG3   MET   11  30.31 +/- 4.70  11.550% *  8.1279% (0.24   0.02   0.02) =   6.135%  kept
          HA    TRP   87 - HG3   MET   11  36.08 +/- 6.67   6.361% * 11.8063% (0.35   0.02   0.02) =   4.908%  kept
          HA    ASP- 113 - HB3   GLU-  14  31.74 +/- 4.97   8.926% *  5.1424% (0.15   0.02   0.02) =   3.000%  kept
          HA    LEU  104 - HG3   MET   11  32.36 +/- 5.93   9.950% *  4.4409% (0.13   0.02   0.02) =   2.887%  kept
          HA    ASP- 113 - HG3   MET   11  38.92 +/- 6.22   4.939% *  1.8257% (0.05   0.02   0.02) =   0.589%  kept
    Distance limit 3.65 A violated in 20 structures by 14.75 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.86, residual support = 45.3:
      O   HN    GLU-  14 - HB3   GLU-  14   3.37 +/- 0.39  90.126% * 99.5831% (0.92  10.0   3.86  45.28) =  99.995%  kept
          HN    LYS+  99 - HB3   GLU-  14  21.63 +/- 4.81   1.381% *  0.1079% (1.00   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HG3   MET   11  10.04 +/- 1.05   3.953% *  0.0354% (0.33   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB3   GLU-  14  14.14 +/- 2.90   2.178% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  14  23.73 +/- 3.68   0.375% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.73 +/- 5.96   0.618% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  19.49 +/- 4.75   0.802% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  31.01 +/- 5.41   0.201% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  28.90 +/- 5.68   0.243% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.56 +/- 6.81   0.123% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 3.86, residual support = 45.3:
      O   HN    GLU-  14 - HB2   GLU-  14   3.30 +/- 0.62  81.486% * 99.3938% (0.49  10.0   3.86  45.28) =  99.991%  kept
          HN    ASN   35 - HB2   GLU-  14  14.54 +/- 3.11   2.169% *  0.0839% (0.41   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HG2   MET   11   9.59 +/- 0.98   4.590% *  0.0372% (0.18   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   ARG+  54  16.59 +/- 4.81   7.668% *  0.0194% (0.10   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLU-  14  21.51 +/- 5.05   0.773% *  0.1483% (0.73   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLU-  14  23.79 +/- 3.70   0.430% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   11  19.63 +/- 5.51   1.732% *  0.0314% (0.15   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG2   MET   11  28.52 +/- 6.35   0.382% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  30.76 +/- 5.48   0.194% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  26.86 +/- 3.56   0.184% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  29.26 +/- 5.58   0.243% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  29.43 +/- 3.83   0.150% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.56:
      O   HN    GLY   16 - HA    GLU-  15   2.59 +/- 0.29  81.689% * 99.5949% (0.97  10.0   2.05   5.56) =  99.985%  kept
          HN    GLY   16 - HA    LEU   40  11.59 +/- 4.11  13.673% *  0.0805% (0.78   1.0   0.02   0.13) =   0.014%
          HN    GLY   16 - HA    ASN   35  12.74 +/- 2.58   3.839% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    LEU   40  20.70 +/- 2.95   0.253% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  26.30 +/- 5.57   0.115% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.61 +/- 2.97   0.129% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  27.20 +/- 3.20   0.088% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.81 +/- 2.82   0.103% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  26.63 +/- 4.99   0.111% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 94.7:
      O   HN    ASN   28 - HA    ASN   28   2.70 +/- 0.03  99.387% * 99.8927% (0.84  10.0   5.68  94.71) =  99.999%  kept
          HN    ASN   69 - HA    ASN   28  18.46 +/- 3.20   0.613% *  0.1073% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.374, support = 2.55, residual support = 19.5:
        T HB2   LEU   31 - HA    ASN   28   3.79 +/- 0.21  67.644% * 92.7421% (0.38 10.00   2.56  19.56) =  99.760%  kept
          HB3   LEU   73 - HA    ASN   28   9.77 +/- 2.49   5.583% *  0.9497% (0.38  1.00   0.20   0.93) =   0.084%
        T QB    ALA   84 - HA    ASN   28  15.68 +/- 4.85   2.081% *  2.4656% (1.00 10.00   0.02   0.02) =   0.082%
        T QB    ALA  124 - HA    ASN   28  23.60 +/- 5.50   0.679% *  2.2161% (0.90 10.00   0.02   0.02) =   0.024%
          HG    LEU   98 - HA    ASN   28  12.82 +/- 4.88   4.066% *  0.2385% (0.97  1.00   0.02   0.02) =   0.015%
          HB3   LEU   80 - HA    ASN   28  15.71 +/- 7.05   4.145% *  0.1300% (0.53  1.00   0.02   1.22) =   0.009%
          HG3   LYS+  33 - HA    ASN   28   8.51 +/- 0.68   6.409% *  0.0616% (0.25  1.00   0.02   0.02) =   0.006%
          HB2   LEU   63 - HA    ASN   28  17.51 +/- 4.09   1.687% *  0.1599% (0.65  1.00   0.02   0.23) =   0.004%
          HB3   ASP-  44 - HA    ASN   28  15.31 +/- 1.75   1.285% *  0.1888% (0.76  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HA    ASN   28  20.60 +/- 2.69   0.690% *  0.2471% (1.00  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    ASN   28  18.13 +/- 4.05   0.963% *  0.1499% (0.61  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    ASN   28  13.61 +/- 2.10   1.881% *  0.0763% (0.31  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HA    ASN   28  17.77 +/- 5.45   1.312% *  0.1016% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ASN   28  18.40 +/- 3.09   1.009% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  25.46 +/- 3.80   0.295% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  26.31 +/- 3.57   0.271% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.61, support = 4.02, residual support = 19.1:
          HG    LEU   31 - HA    ASN   28   3.67 +/- 1.04  79.715% * 88.7751% (0.61   4.11  19.56) =  97.685%  kept
          QD2   LEU   73 - HA    ASN   28   7.35 +/- 1.73  16.823% *  9.8829% (0.76   0.36   0.93) =   2.295%  kept
          HG3   LYS+ 121 - HA    ASN   28  23.02 +/- 7.05   1.373% *  0.5445% (0.76   0.02   0.02) =   0.010%
          QD1   ILE   56 - HA    ASN   28  19.69 +/- 2.25   0.772% *  0.6876% (0.97   0.02   0.02) =   0.007%
          QD2   LEU  123 - HA    ASN   28  21.78 +/- 4.24   1.317% *  0.1099% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.69, residual support = 5.39:
      O   HN    GLY   16 - HA2   GLY   16   2.87 +/- 0.12  99.678% * 99.8461% (0.97  10.0   2.69   5.39) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  25.69 +/- 3.58   0.166% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.65 +/- 6.10   0.156% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.2:
      O   HN    GLN   17 - HA2   GLY   16   3.44 +/- 0.07  85.723% * 99.5709% (0.65  10.0   3.26  17.24) =  99.986%  kept
          HD21  ASN   69 - HA2   GLY   16  12.12 +/- 5.47   7.698% *  0.0690% (0.45   1.0   0.02   0.02) =   0.006%
          HE3   TRP   87 - HA2   GLY   16  24.80 +/- 8.04   3.677% *  0.1232% (0.80   1.0   0.02   0.02) =   0.005%
          HN    ALA   61 - HA2   GLY   16  17.17 +/- 3.55   1.075% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HA2   GLY   16  26.62 +/- 6.90   0.736% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA2   GLY   16  16.87 +/- 1.74   0.842% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  27.64 +/- 5.29   0.250% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.2:
      O   HN    GLN   17 - HA1   GLY   16   3.25 +/- 0.08  81.311% * 99.5709% (0.65  10.0   3.26  17.24) =  99.981%  kept
          HD21  ASN   69 - HA1   GLY   16  11.53 +/- 5.70  11.446% *  0.0690% (0.45   1.0   0.02   0.02) =   0.010%
          HE3   TRP   87 - HA1   GLY   16  23.60 +/- 7.96   4.724% *  0.1232% (0.80   1.0   0.02   0.02) =   0.007%
          HN    ALA   61 - HA1   GLY   16  16.49 +/- 3.40   0.891% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HA1   GLY   16  25.53 +/- 6.88   0.691% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA1   GLY   16  16.06 +/- 1.33   0.724% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.68 +/- 5.23   0.213% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.69, residual support = 5.39:
      O   HN    GLY   16 - HA1   GLY   16   2.32 +/- 0.14  96.271% * 99.6694% (0.57  10.0   2.69   5.39) =  99.998%  kept
          HN    ILE  103 - HA1   GLY   16  20.42 +/- 6.35   3.397% *  0.0348% (0.20   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA1   GLY   16  26.80 +/- 6.23   0.110% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  26.07 +/- 5.28   0.124% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  24.86 +/- 3.47   0.097% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.582, support = 4.32, residual support = 84.1:
      O T HB3   GLN   17 - QG    GLN   17   2.39 +/- 0.12  69.548% * 91.7864% (0.58  10.0 10.00   4.31  84.39) =  99.533%  kept
          HB2   LEU   71 - HB    VAL   70   6.44 +/- 0.46   3.747% *  7.0500% (0.15   1.0  1.00   5.85  34.07) =   0.412%  kept
          HB2   LEU   71 - QG    GLN   17   8.59 +/- 4.73   5.197% *  0.4666% (0.75   1.0  1.00   0.08   0.02) =   0.038%
          QB    LYS+  65 - QG    GLN   17   9.56 +/- 4.23   4.145% *  0.1159% (0.74   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   GLN   17 - HB    VAL   70  10.84 +/- 2.69   1.039% *  0.1880% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QG    GLN   17  10.14 +/- 3.18   2.922% *  0.0494% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QG    GLN   17  12.00 +/- 4.45   2.794% *  0.0299% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG    GLN   17  18.69 +/- 4.68   0.486% *  0.1077% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   8.22 +/- 0.81   1.979% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   7.55 +/- 0.89   2.599% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.03 +/- 1.89   2.280% *  0.0061% (0.04   1.0  1.00   0.02   2.62) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  16.55 +/- 4.84   0.738% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  20.65 +/- 3.42   0.132% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  17.96 +/- 4.71   0.538% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  16.47 +/- 2.84   0.272% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.48 +/- 3.25   0.342% *  0.0169% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  12.69 +/- 4.08   0.819% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.45 +/- 2.75   0.423% *  0.0038% (0.02   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 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.484, support = 5.57, residual support = 82.9:
          HN    GLN   17 - QG    GLN   17   3.22 +/- 0.72  66.031% * 88.9401% (0.49   5.60  84.39) =  97.483%  kept
          HD21  ASN   69 - HB    VAL   70   6.19 +/- 0.95  15.901% *  9.3919% (0.07   4.17  26.53) =   2.479%  kept
          HD21  ASN   69 - QG    GLN   17  11.57 +/- 3.27   2.874% *  0.2200% (0.34   0.02   0.02) =   0.010%
          HN    ALA   61 - QG    GLN   17  13.26 +/- 3.51   2.051% *  0.2388% (0.37   0.02   0.02) =   0.008%
          HE3   TRP   87 - QG    GLN   17  21.34 +/- 5.40   0.972% *  0.3929% (0.61   0.02   0.02) =   0.006%
          HN    GLN   17 - HB    VAL   70  10.52 +/- 3.28   3.522% *  0.0650% (0.10   0.02   0.02) =   0.004%
          HN    ALA   61 - HB    VAL   70  10.20 +/- 1.80   3.511% *  0.0489% (0.08   0.02   0.02) =   0.003%
          HN    TRP   27 - QG    GLN   17  13.00 +/- 2.11   1.776% *  0.0757% (0.12   0.02   0.02) =   0.002%
          HN    TRP   87 - QG    GLN   17  22.39 +/- 4.53   0.368% *  0.2388% (0.37   0.02   0.02) =   0.001%
          HN    ALA   91 - QG    GLN   17  22.82 +/- 4.00   0.327% *  0.2017% (0.31   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  18.30 +/- 4.36   0.634% *  0.0805% (0.13   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    VAL   70  20.22 +/- 2.76   0.521% *  0.0413% (0.06   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  20.16 +/- 3.07   0.412% *  0.0489% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.67 +/- 2.06   1.102% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 49.7:
          HN    VAL   18 - QG    GLN   17   3.07 +/- 0.74  79.953% * 99.7447% (0.76   5.80  49.74) =  99.982%  kept
          HN    SER   13 - QG    GLN   17   9.16 +/- 1.80   6.756% *  0.0767% (0.17   0.02   0.02) =   0.006%
          HN    GLU-  29 - QG    GLN   17  13.80 +/- 3.40   6.097% *  0.0767% (0.17   0.02   0.02) =   0.006%
          HN    VAL   18 - HB    VAL   70   9.18 +/- 3.40   5.709% *  0.0704% (0.16   0.02   0.02) =   0.005%
          HN    GLU-  29 - HB    VAL   70  16.84 +/- 2.30   1.027% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  18.91 +/- 2.51   0.459% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 84.4:
      O   HN    GLN   17 - HB3   GLN   17   3.04 +/- 0.48  87.225% * 99.5709% (0.65  10.0   5.27  84.39) =  99.990%  kept
          HN    ALA   61 - HB3   GLN   17  14.68 +/- 3.65   6.319% *  0.0749% (0.49   1.0   0.02   0.02) =   0.005%
          HD21  ASN   69 - HB3   GLN   17  13.09 +/- 3.67   3.184% *  0.0690% (0.45   1.0   0.02   0.02) =   0.003%
          HE3   TRP   87 - HB3   GLN   17  23.65 +/- 6.03   0.530% *  0.1232% (0.80   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  14.27 +/- 2.37   2.288% *  0.0237% (0.15   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   GLN   17  24.84 +/- 4.92   0.266% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.47 +/- 3.78   0.188% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.46, residual support = 49.7:
          HN    VAL   18 - HB3   GLN   17   3.31 +/- 0.68  89.943% * 99.8369% (1.00   5.46  49.74) =  99.991%  kept
          HN    SER   13 - HB3   GLN   17  10.43 +/- 1.85   5.892% *  0.0816% (0.22   0.02   0.02) =   0.005%
          HN    GLU-  29 - HB3   GLN   17  15.31 +/- 3.59   4.165% *  0.0816% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.88 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 = 84.2:
      O T HB3   GLN   17 - HA    GLN   17   2.76 +/- 0.25  66.594% * 98.3130% (0.76  10.0 10.00   4.00  84.39) =  99.771%  kept
          QB    LYS+  65 - HA    GLN   17  10.15 +/- 4.92  10.683% *  1.2325% (0.97   1.0  1.00   0.20   0.02) =   0.201%  kept
          HB2   LEU   71 - HA    GLN   17   8.42 +/- 5.82  11.135% *  0.1261% (0.98   1.0  1.00   0.02   0.02) =   0.021%
          HB    VAL   41 - HA    GLN   17  12.24 +/- 5.39   6.115% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    GLN   17  10.64 +/- 3.67   3.107% *  0.0529% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HA    GLN   17  19.87 +/- 5.09   0.459% *  0.1154% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HA    GLN   17  17.13 +/- 5.34   0.871% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  18.81 +/- 5.66   0.859% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  22.11 +/- 3.84   0.177% *  0.0884% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.202, support = 3.91, residual support = 79.2:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  74.271% * 65.6037% (0.18  10.0 10.00   4.14  84.39) =  93.813%  kept
        T HB3   GLN   17 - HB3   PRO   68  12.47 +/- 4.78  10.004% * 31.8717% (0.46   1.0 10.00   0.39   0.02) =   6.139%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.25 +/- 0.62   1.810% *  0.7364% (0.21   1.0 10.00   0.02   0.02) =   0.026%
          QB    LYS+  65 - HB2   GLN   17  10.43 +/- 4.38   2.901% *  0.0828% (0.23   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QB    GLU-  15   8.99 +/- 5.15   2.099% *  0.0944% (0.27   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HB3   PRO   68   6.71 +/- 1.46   2.041% *  0.0885% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB3   PRO   68  10.46 +/- 1.81   0.532% *  0.2111% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   GLN   17   9.46 +/- 4.71   1.298% *  0.0841% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB3   PRO   68   9.42 +/- 0.72   0.504% *  0.2079% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HB3   PRO   68  21.17 +/- 5.48   0.479% *  0.1479% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   GLN   17  13.29 +/- 4.67   1.202% *  0.0214% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15  13.78 +/- 3.40   0.258% *  0.0930% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.11 +/- 2.92   0.599% *  0.0353% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.23 +/- 4.69   0.204% *  0.0864% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  12.22 +/- 4.09   0.460% *  0.0240% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  21.01 +/- 3.03   0.055% *  0.1932% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  14.08 +/- 2.93   0.211% *  0.0396% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.13 +/- 4.59   0.097% *  0.0770% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.19 +/- 1.41   0.123% *  0.0537% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  17.81 +/- 4.22   0.106% *  0.0332% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  16.62 +/- 4.23   0.179% *  0.0149% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.57 +/- 4.77   0.153% *  0.0149% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  23.08 +/- 3.29   0.038% *  0.0590% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  18.60 +/- 4.83   0.157% *  0.0132% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  24.70 +/- 2.65   0.029% *  0.0662% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.24 +/- 2.55   0.058% *  0.0332% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  20.22 +/- 4.78   0.134% *  0.0132% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.4:
      O   HA    PRO   68 - HB3   PRO   68   2.41 +/- 0.19  88.878% * 99.9155% (0.19  10.0   2.96  36.42) =  99.995%  kept
          HA    PRO   68 - HB2   GLN   17  11.20 +/- 4.31   9.962% *  0.0398% (0.07   1.0   0.02   0.02) =   0.004%
          HA    PRO   68 - QB    GLU-  15  13.09 +/- 4.50   1.160% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
    Distance limit 3.55 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 = 0.256, support = 5.26, residual support = 47.7:
          HN    VAL   18 - HB2   GLN   17   3.14 +/- 0.67  61.517% * 84.0316% (0.24   5.46  49.74) =  95.987%  kept
          HN    VAL   18 - HB3   PRO   68  11.85 +/- 4.67  14.202% * 14.9872% (0.61   0.39   0.02) =   3.952%  kept
          HN    VAL   18 - QB    GLU-  15   8.10 +/- 0.56   5.054% *  0.3453% (0.27   0.02   0.02) =   0.032%
          HN    SER   13 - QB    GLU-  15   6.91 +/- 0.76   7.819% *  0.0770% (0.06   0.02   0.02) =   0.011%
          HN    GLU-  29 - HB2   GLN   17  15.22 +/- 4.03   4.926% *  0.0686% (0.05   0.02   0.02) =   0.006%
          HN    SER   13 - HB2   GLN   17  10.57 +/- 1.70   2.979% *  0.0686% (0.05   0.02   0.02) =   0.004%
          HN    GLU-  29 - QB    GLU-  15  13.44 +/- 2.64   2.392% *  0.0770% (0.06   0.02   0.02) =   0.003%
          HN    GLU-  29 - HB3   PRO   68  21.30 +/- 4.11   0.637% *  0.1722% (0.14   0.02   0.02) =   0.002%
          HN    SER   13 - HB3   PRO   68  19.73 +/- 4.35   0.475% *  0.1722% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.46, residual support = 49.7:
      O   HN    VAL   18 - HA    GLN   17   2.56 +/- 0.14  98.949% * 99.9233% (0.84  10.0   5.46  49.74) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   17  15.64 +/- 3.19   0.871% *  0.0582% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   17  25.24 +/- 5.67   0.180% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 0.633, support = 0.02, residual support = 0.572:
        T QB    ALA   64 - HA    GLN   17   7.44 +/- 3.90  59.191% * 38.1619% (0.69 10.00   0.02   0.82) =  68.716%  kept
        T QG1   VAL   42 - HA    GLN   17  10.44 +/- 3.74  28.707% * 27.0421% (0.49 10.00   0.02   0.02) =  23.616%  kept
        T QB    ALA   47 - HA    GLN   17  17.62 +/- 3.84   7.325% * 33.6965% (0.61 10.00   0.02   0.02) =   7.509%  kept
          HG2   LYS+ 112 - HA    GLN   17  22.68 +/- 4.81   4.778% *  1.0994% (0.20  1.00   0.02   0.02) =   0.160%  kept
    Distance limit 3.14 A violated in 16 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.97, residual support = 77.0:
      O   HN    VAL   18 - HB    VAL   18   2.68 +/- 0.50  98.113% * 99.9233% (0.84  10.0   4.97  77.03) =  99.999%  kept
          HN    GLU-  29 - HB    VAL   18  14.12 +/- 2.62   1.444% *  0.0582% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB    VAL   18  21.87 +/- 5.96   0.444% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.584, support = 0.489, residual support = 2.35:
        T HB2   PHE   72 - HA    VAL   18   6.47 +/- 3.78  48.921% * 72.7215% (0.49 10.00   0.43   0.76) =  79.478%  kept
          HA    ALA   64 - HA    VAL   18   7.78 +/- 3.80  34.724% * 25.7206% (0.98  1.00   0.75   8.74) =  19.952%  kept
        T HB3   ASN   35 - HA    VAL   18  15.20 +/- 1.98  16.355% *  1.5579% (0.22 10.00   0.02   0.02) =   0.569%  kept
    Distance limit 3.85 A violated in 3 structures by 1.83 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.84, residual support = 22.6:
      O   HN    ILE   19 - HA    VAL   18   2.22 +/- 0.04  87.763% * 96.5949% (0.73  10.0   4.86  22.73) =  99.645%  kept
          HN    LEU   73 - HA    VAL   18   6.33 +/- 4.37   9.176% *  3.2526% (0.92   1.0   0.53   0.62) =   0.351%  kept
          HN    VAL   42 - HA    VAL   18   8.61 +/- 4.63   2.854% *  0.1228% (0.92   1.0   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HA    VAL   18  18.73 +/- 3.36   0.207% *  0.0296% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.65, support = 0.819, residual support = 0.48:
          HG    LEU   73 - QG1   VAL   18   6.80 +/- 3.62  17.038% * 39.5277% (0.61   1.12   0.62) =  49.182%  kept
          HG    LEU   67 - QG1   VAL   18   7.64 +/- 3.63  13.046% * 27.8298% (1.00   0.48   0.02) =  26.513%  kept
          QG    LYS+  66 - QG1   VAL   18   8.55 +/- 3.05   9.015% * 18.4565% (0.41   0.77   1.29) =  12.151%  kept
          HB3   LEU   67 - QG1   VAL   18   7.43 +/- 3.80  15.420% *  7.5828% (0.25   0.52   0.02) =   8.538%  kept
          QB    ALA   61 - QG1   VAL   18   7.08 +/- 3.30  20.182% *  1.3257% (0.15   0.15   0.69) =   1.954%  kept
          HG    LEU   40 - QG1   VAL   18   9.35 +/- 3.22   7.989% *  1.1546% (0.99   0.02   0.02) =   0.674%  kept
          QB    ALA  120 - QG1   VAL   18  14.68 +/- 2.37   6.440% *  0.8002% (0.69   0.02   0.02) =   0.376%  kept
          HB3   LEU  115 - QG1   VAL   18  14.47 +/- 2.71   2.361% *  1.1546% (0.99   0.02   0.02) =   0.199%  kept
          HB3   LEU   40 - QG1   VAL   18  10.75 +/- 2.91   4.342% *  0.5223% (0.45   0.02   0.02) =   0.166%  kept
          HG    LEU  115 - QG1   VAL   18  14.41 +/- 3.12   2.773% *  0.8002% (0.69   0.02   0.02) =   0.162%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.16 +/- 3.86   1.393% *  0.8459% (0.73   0.02   0.02) =   0.086%
    Distance limit 2.97 A violated in 5 structures by 1.60 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 2.98, residual support = 7.85:
        T QB    ALA   34 - QG1   VAL   41   3.26 +/- 2.32  47.102% * 97.8928% (0.49 10.00   2.99   7.86) =  99.813%  kept
        T QB    ALA   34 - QG2   VAL   18   8.99 +/- 1.59   6.705% *  0.7481% (0.37 10.00   0.02   0.02) =   0.109%  kept
          QG2   THR   23 - QG2   VAL   18   9.49 +/- 2.01  15.632% *  0.1284% (0.64  1.00   0.02   0.02) =   0.043%
        T QG2   ILE   56 - QG1   VAL   41  14.89 +/- 2.86   0.800% *  0.6207% (0.31 10.00   0.02   0.02) =   0.011%
          QG2   THR   23 - QG1   VAL   41  12.19 +/- 2.18   1.457% *  0.1680% (0.84  1.00   0.02   0.02) =   0.005%
          QG2   THR   77 - QG1   VAL   41  12.59 +/- 1.00   1.786% *  0.1220% (0.61  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  38 - QG1   VAL   41   8.22 +/- 1.27   4.990% *  0.0352% (0.18  1.00   0.02   0.02) =   0.004%
          QB    ALA   88 - QG1   VAL   41  14.67 +/- 2.83   2.775% *  0.0501% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   THR   77 - QG2   VAL   18  10.62 +/- 3.24   1.421% *  0.0932% (0.46  1.00   0.02   0.02) =   0.003%
          QG2   ILE   56 - QG2   VAL   18  11.78 +/- 2.04   1.671% *  0.0474% (0.24  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   18  16.61 +/- 3.09   1.157% *  0.0383% (0.19  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   VAL   18  15.64 +/- 2.03   1.341% *  0.0269% (0.13  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD2   LEU  104   8.97 +/- 2.16   5.552% *  0.0053% (0.03  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD2   LEU  104  16.18 +/- 2.38   1.186% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  13.47 +/- 3.28   2.502% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  13.99 +/- 2.21   1.017% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  12.00 +/- 3.46   1.986% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  15.06 +/- 3.20   0.917% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 3 structures by 0.84 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.828, support = 4.23, residual support = 74.5:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  44.326% * 85.2224% (0.84  10.0 10.00   4.29  75.92) =  97.733%  kept
          QB    LYS+  66 - QG2   VAL   18   7.76 +/- 2.90   8.343% *  3.0606% (0.74   1.0  1.00   0.81   1.29) =   0.661%  kept
          QB    LYS+  65 - QG2   VAL   18   6.55 +/- 3.64   5.991% *  3.2686% (0.55   1.0  1.00   1.15   0.02) =   0.507%  kept
          HB3   GLN   17 - QG2   VAL   18   4.92 +/- 1.15   5.924% *  3.1841% (0.15   1.0  1.00   4.13  49.74) =   0.488%  kept
          HB2   LEU   71 - QG1   VAL   41   5.76 +/- 1.62   6.245% *  2.6282% (0.69   1.0  1.00   0.75   2.94) =   0.425%  kept
          HG12  ILE  103 - QD2   LEU  104   4.83 +/- 0.77   4.602% *  1.0657% (0.04   1.0  1.00   5.66  39.20) =   0.127%  kept
        T HB    VAL   41 - QG2   VAL   18  10.05 +/- 4.05   2.651% *  0.6513% (0.64   1.0 10.00   0.02   0.02) =   0.045%
          HB3   GLN   17 - QG1   VAL   41  11.10 +/- 3.83   6.696% *  0.0202% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - QG1   VAL   41   7.98 +/- 2.50   1.727% *  0.0701% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QD2   LEU  104   8.23 +/- 2.32   1.608% *  0.0458% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG2   VAL   18   8.76 +/- 3.70   1.230% *  0.0536% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QG1   VAL   41   9.36 +/- 2.45   0.751% *  0.0852% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD2   LEU  104   4.49 +/- 0.87   6.460% *  0.0046% (0.04   1.0  1.00   0.02   0.32) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  12.28 +/- 1.30   0.250% *  0.0985% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  11.49 +/- 1.53   0.327% *  0.0741% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG2   VAL   18  15.15 +/- 3.06   0.161% *  0.0764% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.85 +/- 3.64   0.227% *  0.0536% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.27 +/- 3.47   0.228% *  0.0419% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.23 +/- 1.54   0.090% *  0.1000% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.56 +/- 3.04   0.130% *  0.0651% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  16.59 +/- 4.11   0.265% *  0.0321% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  16.86 +/- 2.89   0.210% *  0.0321% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  18.33 +/- 4.37   0.121% *  0.0419% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.73 +/- 2.50   0.375% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  14.70 +/- 2.22   0.169% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.23 +/- 2.07   0.187% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.65 +/- 0.90   0.096% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  16.26 +/- 5.33   0.196% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  16.34 +/- 4.00   0.296% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.53 +/- 4.00   0.118% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.536, support = 2.74, residual support = 14.6:
          HB3   LEU   40 - QG1   VAL   41   5.13 +/- 0.36  10.091% * 70.8617% (0.46   3.77  20.77) =  69.925%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.29 +/- 4.48  19.966% * 10.9187% (0.76   0.35   0.02) =  21.318%  kept
          QD    LYS+  66 - QG2   VAL   18   8.75 +/- 3.19   5.289% *  7.6420% (0.31   0.61   1.29) =   3.952%  kept
          HB2   LYS+  74 - QG2   VAL   18   5.61 +/- 4.37  24.416% *  0.8044% (0.99   0.02   1.28) =   1.921%  kept
          QG2   THR   26 - QG1   VAL   41   9.22 +/- 2.48   3.161% *  4.6478% (0.64   0.18   0.02) =   1.437%  kept
          QG2   THR   26 - QG2   VAL   18   7.58 +/- 2.34  15.149% *  0.6779% (0.84   0.02   0.02) =   1.004%  kept
          HB2   LYS+  74 - QG1   VAL   41  10.35 +/- 1.42   1.406% *  0.6148% (0.76   0.02   0.02) =   0.084%
          HB3   LEU   40 - QG2   VAL   18  11.35 +/- 2.48   1.705% *  0.4923% (0.61   0.02   0.02) =   0.082%
          HB3   LEU   40 - QD2   LEU  104   7.48 +/- 2.99   6.302% *  0.0756% (0.09   0.02   0.02) =   0.047%
          HD2   LYS+ 121 - QG1   VAL   41  15.54 +/- 6.25   1.007% *  0.4261% (0.52   0.02   0.02) =   0.042%
          HG2   LYS+  65 - QG1   VAL   41  13.42 +/- 2.03   0.689% *  0.4740% (0.58   0.02   0.02) =   0.032%
          HD2   LYS+ 121 - QD2   LEU  104  12.59 +/- 7.74   3.812% *  0.0857% (0.11   0.02   0.02) =   0.032%
          HD2   LYS+ 121 - QG2   VAL   18  15.72 +/- 3.39   0.527% *  0.5575% (0.69   0.02   0.02) =   0.029%
          HG    LEU  115 - QG2   VAL   18  14.64 +/- 3.25   0.884% *  0.3046% (0.38   0.02   0.02) =   0.026%
          QB    ALA  120 - QG2   VAL   18  14.90 +/- 2.78   0.474% *  0.3046% (0.38   0.02   0.02) =   0.014%
          QD    LYS+  66 - QG1   VAL   41  13.43 +/- 1.47   0.682% *  0.1914% (0.24   0.02   0.02) =   0.013%
          QB    ALA  120 - QG1   VAL   41  15.48 +/- 3.47   0.457% *  0.2328% (0.29   0.02   0.02) =   0.010%
          QG2   THR   26 - QD2   LEU  104  14.22 +/- 2.26   0.662% *  0.1042% (0.13   0.02   0.02) =   0.007%
          QB    ALA  120 - QD2   LEU  104  12.65 +/- 4.66   1.406% *  0.0468% (0.06   0.02   0.02) =   0.006%
          HG    LEU  115 - QG1   VAL   41  16.89 +/- 1.96   0.271% *  0.2328% (0.29   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QD2   LEU  104  15.16 +/- 2.07   0.455% *  0.1236% (0.15   0.02   0.02) =   0.005%
          HG2   LYS+  65 - QD2   LEU  104  16.94 +/- 2.23   0.366% *  0.0953% (0.12   0.02   0.02) =   0.003%
          HG    LEU  115 - QD2   LEU  104  15.36 +/- 2.74   0.402% *  0.0468% (0.06   0.02   0.02) =   0.002%
          QD    LYS+  66 - QD2   LEU  104  15.84 +/- 2.39   0.421% *  0.0385% (0.05   0.02   0.02) =   0.002%
    Distance limit 2.94 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.821, support = 0.02, residual support = 0.516:
        T HA    ALA   61 - QG2   VAL   18   7.44 +/- 3.92  24.803% * 46.5616% (0.87 10.00   0.02   0.69) =  73.600%  kept
        T HA    ALA   61 - QG1   VAL   41  11.56 +/- 2.19   6.628% * 35.5837% (0.66 10.00   0.02   0.02) =  15.031%  kept
          HD2   PRO   68 - QG2   VAL   18   9.29 +/- 2.84  16.420% *  5.2615% (0.98  1.00   0.02   0.02) =   5.506%  kept
          HA    VAL   24 - QG2   VAL   18  11.03 +/- 1.70  12.223% *  2.6128% (0.49  1.00   0.02   0.02) =   2.035%  kept
          HD2   PRO   68 - QG1   VAL   41  11.15 +/- 1.69   7.745% *  4.0210% (0.75  1.00   0.02   0.02) =   1.985%  kept
          HA    VAL   24 - QG1   VAL   41  11.45 +/- 2.56   7.144% *  1.9968% (0.37  1.00   0.02   0.02) =   0.909%  kept
          HA    ALA   61 - QD2   LEU  104  14.31 +/- 3.16   5.267% *  0.7155% (0.13  1.00   0.02   0.02) =   0.240%  kept
          HD3   PRO   58 - QG2   VAL   18  13.49 +/- 3.63   3.466% *  1.0623% (0.20  1.00   0.02   0.02) =   0.235%  kept
          HD2   PRO   68 - QD2   LEU  104  13.94 +/- 3.15   3.296% *  0.8085% (0.15  1.00   0.02   0.02) =   0.170%  kept
          HA    VAL   24 - QD2   LEU  104  15.81 +/- 3.61   4.395% *  0.4015% (0.07  1.00   0.02   0.02) =   0.112%  kept
          HD3   PRO   58 - QG1   VAL   41  17.23 +/- 2.63   2.115% *  0.8118% (0.15  1.00   0.02   0.02) =   0.109%  kept
          HD3   PRO   58 - QD2   LEU  104  17.55 +/- 4.16   6.499% *  0.1632% (0.03  1.00   0.02   0.02) =   0.068%
    Distance limit 2.94 A violated in 15 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.25, residual support = 75.9:
      O T HA    VAL   41 - QG1   VAL   41   2.75 +/- 0.36  80.612% * 98.8372% (0.65  10.0 10.00   4.25  75.92) =  99.943%  kept
        T HA    VAL   41 - QG2   VAL   18   9.14 +/- 3.69   5.016% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.048%
          HA    PHE   45 - QG2   VAL   18  10.62 +/- 3.73   2.404% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T HA    VAL   41 - QD2   LEU  104   8.55 +/- 2.06   3.573% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG1   VAL   41  12.09 +/- 0.81   1.175% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  16.27 +/- 6.28   1.717% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  15.77 +/- 3.44   0.775% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  13.76 +/- 1.85   1.102% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  14.15 +/- 7.78   3.625% *  0.0023% (0.01   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.825, support = 1.06, residual support = 1.19:
          HN    LYS+  66 - QG1   VAL   18   7.70 +/- 3.67  39.529% * 53.3744% (0.69   1.33   1.29) =  54.094%  kept
          QD    PHE   60 - QG1   VAL   18   7.75 +/- 3.35  40.207% * 43.7363% (1.00   0.75   1.09) =  45.086%  kept
          QE    PHE   59 - QG1   VAL   18  12.03 +/- 2.28  12.995% *  1.9151% (0.22   0.15   0.02) =   0.638%  kept
          HN    LYS+  81 - QG1   VAL   18  16.19 +/- 5.64   7.269% *  0.9742% (0.84   0.02   0.02) =   0.182%  kept
    Distance limit 3.14 A violated in 14 structures by 2.91 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.46, residual support = 77.0:
          HN    VAL   18 - QG1   VAL   18   3.11 +/- 0.60  98.047% * 99.8225% (0.92   5.46  77.03) =  99.996%  kept
          HN    SER   13 - QG1   VAL   18  12.98 +/- 1.79   1.953% *  0.1775% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.313, support = 1.42, residual support = 1.26:
          HN    LYS+  74 - QG1   VAL   18   5.54 +/- 4.92  69.032% * 92.1108% (0.31   1.44   1.28) =  98.875%  kept
          HN    THR   46 - QG1   VAL   18  10.64 +/- 4.32  12.173% *  3.0135% (0.73   0.02   0.02) =   0.570%  kept
          HN    MET   92 - QG1   VAL   18  16.37 +/- 4.25   5.449% *  3.7218% (0.90   0.02   0.02) =   0.315%  kept
          HN    ASP- 113 - QG1   VAL   18  17.91 +/- 3.66  13.346% *  1.1539% (0.28   0.02   0.02) =   0.239%  kept
    Distance limit 3.59 A violated in 5 structures by 1.99 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.819, support = 4.76, residual support = 22.2:
          HN    ILE   19 - QG1   VAL   18   3.27 +/- 0.55  58.812% * 94.2472% (0.84   4.86  22.73) =  97.414%  kept
          HN    LEU   73 - QG1   VAL   18   5.78 +/- 4.00  25.742% *  5.6608% (0.20   1.23   0.62) =   2.561%  kept
          HN    VAL   42 - QG1   VAL   18   7.62 +/- 4.42  15.446% *  0.0920% (0.20   0.02   0.02) =   0.025%
    Distance limit 3.31 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.873, support = 1.29, residual support = 1.13:
          QD    PHE   60 - QG2   VAL   18   8.11 +/- 3.26  19.297% * 48.1335% (0.80   1.65   1.09) =  48.251%  kept
          HN    LYS+  66 - QG2   VAL   18   7.20 +/- 3.60  24.675% * 36.5572% (0.98   1.03   1.29) =  46.858%  kept
          QD    PHE   60 - QG1   VAL   41  11.34 +/- 2.14   7.294% *  8.6979% (0.61   0.39   0.02) =   3.296%  kept
          QE    PHE   59 - QG2   VAL   18  12.12 +/- 2.22   5.124% *  3.3859% (0.57   0.16   0.02) =   0.901%  kept
          HN    PHE   59 - QG2   VAL   18  12.01 +/- 3.13   4.456% *  1.3315% (0.22   0.16   0.02) =   0.308%  kept
          HN    LYS+  66 - QG1   VAL   41  12.23 +/- 1.57   5.520% *  0.5443% (0.75   0.02   0.02) =   0.156%  kept
          QE    PHE   59 - QG1   VAL   41  13.91 +/- 2.40   3.901% *  0.3144% (0.43   0.02   0.02) =   0.064%
          HN    LYS+  81 - QG2   VAL   18  16.67 +/- 4.87   2.927% *  0.3258% (0.45   0.02   0.02) =   0.050%
          QE    PHE   59 - QD2   LEU  104  12.60 +/- 3.72   8.609% *  0.0632% (0.09   0.02   0.02) =   0.028%
          QD    PHE   60 - QD2   LEU  104  13.40 +/- 2.33   5.505% *  0.0894% (0.12   0.02   0.02) =   0.026%
          HN    LYS+  81 - QG1   VAL   41  17.59 +/- 2.51   1.833% *  0.2490% (0.34   0.02   0.02) =   0.024%
          HN    PHE   59 - QG1   VAL   41  15.69 +/- 2.41   2.408% *  0.1236% (0.17   0.02   0.02) =   0.015%
          HN    LYS+  66 - QD2   LEU  104  15.38 +/- 2.03   2.582% *  0.1094% (0.15   0.02   0.02) =   0.015%
          HN    PHE   59 - QD2   LEU  104  16.03 +/- 3.89   4.627% *  0.0249% (0.03   0.02   0.02) =   0.006%
          HN    LYS+  81 - QD2   LEU  104  19.66 +/- 3.04   1.241% *  0.0501% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.20 A violated in 13 structures by 2.43 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.35, residual support = 76.9:
          HN    VAL   18 - QG2   VAL   18   2.55 +/- 0.80  65.653% * 98.1757% (0.61   5.36  77.03) =  99.873%  kept
          HN    VAL   18 - QG1   VAL   41  10.34 +/- 4.30  18.676% *  0.2800% (0.46   0.02   0.02) =   0.081%
          HN    GLU-  29 - QG2   VAL   18  11.92 +/- 2.69   2.193% *  0.4387% (0.73   0.02   0.02) =   0.015%
          HN    GLU-  29 - QG1   VAL   41  10.22 +/- 2.69   2.086% *  0.3353% (0.55   0.02   0.02) =   0.011%
          HN    GLN   30 - QG2   VAL   18  10.36 +/- 2.38   3.684% *  0.1507% (0.25   0.02   0.02) =   0.009%
          HN    GLN   30 - QG1   VAL   41   8.42 +/- 2.77   4.387% *  0.1151% (0.19   0.02   0.02) =   0.008%
          HN    ASP-  86 - QG2   VAL   18  18.20 +/- 4.42   0.439% *  0.1865% (0.31   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG1   VAL   41  16.21 +/- 3.70   0.428% *  0.1425% (0.24   0.02   0.02) =   0.001%
          HN    VAL   18 - QD2   LEU  104  15.36 +/- 3.78   0.839% *  0.0563% (0.09   0.02   0.02) =   0.001%
          HN    GLU-  29 - QD2   LEU  104  15.66 +/- 2.83   0.488% *  0.0674% (0.11   0.02   0.02) =   0.001%
          HN    GLN   30 - QD2   LEU  104  14.46 +/- 2.50   0.652% *  0.0231% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.66 +/- 3.74   0.475% *  0.0287% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.54, residual support = 75.8:
          HN    VAL   41 - QG1   VAL   41   2.34 +/- 0.42  78.238% * 96.5054% (0.14   4.55  75.92) =  99.870%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.16 +/- 0.73   3.985% *  2.0518% (0.01   1.23   0.33) =   0.108%  kept
          HN    VAL   41 - QG2   VAL   18  10.80 +/- 3.05   1.835% *  0.3245% (0.10   0.02   0.02) =   0.008%
          HN    LYS+ 106 - QG1   VAL   41  12.38 +/- 2.09   0.782% *  0.6209% (0.20   0.02   0.02) =   0.006%
          HN    VAL   41 - QD2   LEU  104   6.81 +/- 2.57  14.730% *  0.0228% (0.01   0.02   0.02) =   0.004%
          HN    LYS+ 106 - QG2   VAL   18  15.76 +/- 2.91   0.429% *  0.4745% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.33, residual support = 85.5:
          HN    VAL   83 - QG1   VAL   83   2.84 +/- 0.51  94.755% * 98.5337% (0.36   5.33  85.49) =  99.979%  kept
          HN    CYS   50 - QG1   VAL   83  15.26 +/- 3.34   1.044% *  0.7796% (0.75   0.02   0.02) =   0.009%
          HN    TRP   49 - QG1   VAL   83  14.73 +/- 3.30   1.177% *  0.5088% (0.49   0.02   0.02) =   0.006%
          HE22  GLN   30 - QG1   VAL   83  13.65 +/- 5.09   3.024% *  0.1779% (0.17   0.02   0.02) =   0.006%
    Distance limit 3.16 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.513, support = 0.351, residual support = 0.1:
          QG1   VAL   24 - QG1   VAL   83   8.67 +/- 4.78  25.900% * 48.6365% (0.46  1.00   0.65   0.13) =  52.346%  kept
        T QG2   VAL   24 - QG1   VAL   83   8.23 +/- 5.24  35.681% * 14.9303% (0.46 10.00   0.02   0.13) =  22.137%  kept
        T QG1   VAL  107 - QG1   VAL   83  12.27 +/- 2.64  20.552% * 24.6159% (0.75 10.00   0.02   0.02) =  21.022%  kept
        T HG    LEU   63 - QG1   VAL   83  15.49 +/- 2.97   9.209% * 10.6506% (0.33 10.00   0.02   0.02) =   4.075%  kept
          HD3   LYS+ 112 - QG1   VAL   83  18.50 +/- 4.45   8.658% *  1.1667% (0.36  1.00   0.02   0.02) =   0.420%  kept
    Distance limit 3.03 A violated in 13 structures by 3.41 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  15.34 +/- 2.17  20.926% * 27.9530% (0.14 10.00   0.02   0.02) =  37.868%  kept
          HB2   PRO   58 - HA    ILE   19  17.63 +/- 3.35  16.658% * 19.0666% (0.92  1.00   0.02   0.02) =  20.561%  kept
          HB3   PHE   97 - HA    ILE   19  17.70 +/- 2.57  13.993% * 19.0666% (0.92  1.00   0.02   0.02) =  17.272%  kept
          HB2   GLU- 100 - HA    ILE   19  19.74 +/- 3.32  11.307% * 14.1878% (0.69  1.00   0.02   0.02) =  10.385%  kept
          HB2   GLN  116 - HA    ILE   19  23.20 +/- 4.35   7.238% * 16.5389% (0.80  1.00   0.02   0.02) =   7.750%  kept
          QG    GLU-  79 - HA    ILE   19  14.72 +/- 4.37  29.878% *  3.1869% (0.15  1.00   0.02   0.02) =   6.164%  kept
    Distance limit 3.86 A violated in 20 structures by 7.18 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   2.26 +/- 0.07  99.441% * 99.9363% (0.73  10.0   5.04  25.64) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  14.96 +/- 2.47   0.411% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  23.29 +/- 3.27   0.147% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 6.7, residual support = 171.2:
      O   HN    ILE   19 - HA    ILE   19   2.90 +/- 0.03  81.697% * 99.8764% (0.98  10.0   6.70 171.19) =  99.986%  kept
          HN    LEU   73 - HA    ILE   19   7.21 +/- 2.98  15.809% *  0.0618% (0.61   1.0   0.02   4.96) =   0.012%
          HN    VAL   42 - HA    ILE   19  10.52 +/- 2.99   2.494% *  0.0618% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.69 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 = 4.96:
          HA    LEU   73 - HB    ILE   19   5.13 +/- 4.03 100.000% *100.0000% (0.95   2.00   4.96) = 100.000%  kept
    Distance limit 3.91 A violated in 5 structures by 1.83 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.652, support = 5.85, residual support = 168.6:
      O   HN    ILE   19 - HB    ILE   19   2.68 +/- 0.47  81.299% * 92.0804% (0.65  10.0   5.92 171.19) =  98.455%  kept
          HN    LEU   73 - HB    ILE   19   5.92 +/- 2.82  15.115% *  7.7426% (0.97   1.0   1.13   4.96) =   1.539%  kept
          HN    VAL   42 - HB    ILE   19   9.23 +/- 3.06   3.252% *  0.1374% (0.97   1.0   0.02   0.02) =   0.006%
          HN    LYS+ 106 - HB    ILE   19  19.73 +/- 2.63   0.334% *  0.0396% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 171.0:
      O   HG13  ILE   19 - QG2   ILE   19   2.88 +/- 0.35  65.476% * 98.1968% (0.28  10.0   4.89 171.19) =  99.868%  kept
          QB    ALA   34 - QG2   ILE   19   6.25 +/- 1.08  10.724% *  0.3501% (0.99   1.0   0.02   0.02) =   0.058%
          QG2   THR   23 - QG2   ILE   19   7.01 +/- 1.36   8.362% *  0.2699% (0.76   1.0   0.02   0.02) =   0.035%
          QG2   THR   39 - QG2   ILE   19   7.59 +/- 1.89   7.499% *  0.2142% (0.61   1.0   0.02   0.02) =   0.025%
          HG3   LYS+  38 - QG2   ILE   19  13.37 +/- 1.90   0.961% *  0.3064% (0.87   1.0   0.02   0.02) =   0.005%
          HG2   LYS+  74 - QG2   ILE   19   8.27 +/- 2.94   5.219% *  0.0478% (0.14   1.0   0.02   8.27) =   0.004%
          QG2   ILE   56 - QG2   ILE   19  14.83 +/- 1.80   0.567% *  0.3462% (0.98   1.0   0.02   0.02) =   0.003%
          QB    ALA   91 - QG2   ILE   19  16.98 +/- 1.69   0.401% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QG2   ILE   19  14.76 +/- 2.69   0.791% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.944, support = 5.4, residual support = 170.4:
      O   HG12  ILE   19 - QG2   ILE   19   2.79 +/- 0.39  61.925% * 97.4831% (0.95  10.0  1.00   5.43 171.19) =  99.514%  kept
          HG    LEU   73 - QG2   ILE   19   5.53 +/- 2.35  19.039% *  1.3119% (0.53   1.0  1.00   0.48   4.96) =   0.412%  kept
          HB3   LYS+  74 - QG2   ILE   19   6.97 +/- 2.89   8.418% *  0.4100% (0.38   1.0  1.00   0.21   8.27) =   0.057%
        T QB    LEU   98 - QG2   ILE   19  11.35 +/- 2.33   1.468% *  0.1805% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   61 - QG2   ILE   19   9.90 +/- 1.77   2.269% *  0.1010% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - QG2   ILE   19  10.51 +/- 1.67   1.676% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   80 - QG2   ILE   19  13.86 +/- 5.89   1.491% *  0.1021% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - QG2   ILE   19  11.81 +/- 1.19   0.976% *  0.0748% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   ILE   19  14.38 +/- 5.16   0.933% *  0.0583% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  17.15 +/- 2.74   0.392% *  0.1010% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   ILE   19  17.65 +/- 3.42   0.880% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   ILE   19  18.63 +/- 4.50   0.534% *  0.0424% (0.41   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 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.789, support = 4.84, residual support = 167.9:
      O   HB    ILE   19 - QG2   ILE   19   2.11 +/- 0.01  54.794% * 96.2824% (0.80  10.0   4.89 171.19) =  97.897%  kept
          HG3   GLN   30 - QG2   ILE   19   2.98 +/- 1.22  37.348% *  3.0116% (0.22   1.0   2.25  14.76) =   2.087%  kept
          HB2   GLN   17 - QG2   ILE   19   6.53 +/- 1.38   4.616% *  0.1110% (0.92   1.0   0.02   0.02) =   0.010%
          QB    GLU-  15 - QG2   ILE   19   7.01 +/- 0.94   1.907% *  0.1110% (0.92   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - QG2   ILE   19  10.17 +/- 0.81   0.533% *  0.1200% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG2   ILE   19  13.39 +/- 2.45   0.327% *  0.0873% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE   19  13.46 +/- 2.48   0.307% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  19.13 +/- 2.91   0.104% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.95 +/- 3.48   0.064% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 2.12, residual support = 14.7:
          HG2   GLN   30 - QG2   ILE   19   3.22 +/- 0.78  86.467% * 96.5482% (0.65   2.12  14.76) =  99.851%  kept
          HB3   HIS  122 - QG2   ILE   19  17.57 +/- 4.17   4.826% *  1.2214% (0.87   0.02   0.02) =   0.071%
          QE    LYS+ 121 - QG2   ILE   19  16.88 +/- 4.19   2.414% *  1.4049% (1.00   0.02   0.02) =   0.041%
          HB3   ASN   28 - QG2   ILE   19   9.56 +/- 0.76   4.919% *  0.5789% (0.41   0.02   0.02) =   0.034%
          HB3   ASP-  78 - QG2   ILE   19  15.40 +/- 2.95   1.374% *  0.2466% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.91 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.84, residual support = 171.2:
      O   HA    ILE   19 - QG2   ILE   19   2.55 +/- 0.39  97.041% * 99.7522% (0.92  10.0   5.84 171.19) =  99.997%  kept
          HA    GLU-  25 - QG2   ILE   19   9.76 +/- 0.68   2.031% *  0.1081% (1.00   1.0   0.02   0.02) =   0.002%
          HA    SER   82 - QG2   ILE   19  18.55 +/- 4.54   0.544% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  17.49 +/- 2.08   0.385% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.66, residual support = 25.6:
          HN    ALA   20 - QG2   ILE   19   2.94 +/- 0.69  97.196% * 97.8988% (0.31   3.66  25.64) =  99.966%  kept
          HN    PHE   45 - QG2   ILE   19  12.93 +/- 1.80   1.991% *  1.2580% (0.73   0.02   0.02) =   0.026%
          HN    ALA  110 - QG2   ILE   19  20.12 +/- 2.36   0.813% *  0.8432% (0.49   0.02   0.02) =   0.007%
    Distance limit 3.32 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.73, residual support = 170.8:
          HN    ILE   19 - QG2   ILE   19   3.29 +/- 0.55  71.431% * 98.8259% (0.65   5.75 171.19) =  99.796%  kept
          HN    LEU   73 - QG2   ILE   19   5.83 +/- 2.15  21.283% *  0.5131% (0.97   0.02   4.96) =   0.154%  kept
          HN    VAL   42 - QG2   ILE   19   8.64 +/- 2.17   6.616% *  0.5131% (0.97   0.02   0.02) =   0.048%
          HN    LYS+ 106 - QG2   ILE   19  17.41 +/- 2.35   0.669% *  0.1478% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.83 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 = 0.247, support = 0.14, residual support = 1.07:
          QD1   LEU   40 - HG    LEU   71   6.07 +/- 1.56  32.372% * 29.2445% (0.06   0.24   1.92) =  55.056%  kept
          QD2   LEU   67 - HG13  ILE   19  10.18 +/- 2.81  12.907% * 28.7454% (0.69   0.02   0.02) =  21.577%  kept
          QD1   LEU   40 - HG13  ILE   19  10.04 +/- 2.24  11.085% * 17.2041% (0.41   0.02   0.02) =  11.091%  kept
          QD2   LEU   67 - HG    LEU   71   7.83 +/- 2.30  21.574% *  4.1205% (0.10   0.02   0.02) =   5.170%  kept
          QG2   ILE  119 - HG13  ILE   19  16.99 +/- 3.47   6.679% * 11.6352% (0.28   0.02   0.02) =   4.520%  kept
          QD1   ILE  103 - HG13  ILE   19  15.88 +/- 3.31   4.687% *  6.4569% (0.15   0.02   0.02) =   1.760%  kept
          QG2   ILE  119 - HG    LEU   71  16.45 +/- 3.76   5.816% *  1.6678% (0.04   0.02   0.02) =   0.564%  kept
          QD1   ILE  103 - HG    LEU   71  14.00 +/- 2.61   4.880% *  0.9256% (0.02   0.02   0.02) =   0.263%  kept
    Distance limit 3.08 A violated in 14 structures by 2.04 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.637, support = 5.83, residual support = 167.8:
          HN    ILE   19 - HG13  ILE   19   3.21 +/- 0.76  57.395% * 88.3768% (0.65   5.93 171.19) =  98.031%  kept
          HN    VAL   42 - HG    LEU   71   7.23 +/- 1.86  16.288% *  2.9368% (0.14   0.92   1.27) =   0.924%  kept
          HN    LEU   73 - HG    LEU   71   8.09 +/- 1.18   6.430% *  6.5365% (0.14   2.05   1.17) =   0.812%  kept
          HN    ILE   19 - HG    LEU   71   9.28 +/- 4.39   5.221% *  1.1134% (0.09   0.52   0.47) =   0.112%  kept
          HN    LEU   73 - HG13  ILE   19   7.38 +/- 3.04  10.952% *  0.4450% (0.97   0.02   4.96) =   0.094%
          HN    VAL   42 - HG13  ILE   19  10.22 +/- 3.37   2.874% *  0.4450% (0.97   0.02   0.02) =   0.025%
          HN    LYS+ 106 - HG13  ILE   19  20.90 +/- 2.89   0.313% *  0.1282% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  18.82 +/- 3.06   0.527% *  0.0184% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.24, residual support = 14.8:
          HE22  GLN   30 - QG2   ILE   19   3.43 +/- 0.42  94.745% * 97.4752% (0.41   2.25  14.76) =  99.937%  kept
          HD22  ASN   69 - QG2   ILE   19  13.83 +/- 1.80   2.158% *  2.1069% (1.00   0.02   0.02) =   0.049%
          QE    PHE   45 - QG2   ILE   19  11.83 +/- 2.45   3.097% *  0.4179% (0.20   0.02   0.02) =   0.014%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.05, residual support = 14.7:
          HE21  GLN   30 - QG2   ILE   19   3.59 +/- 0.68  86.041% * 97.4685% (1.00   2.05  14.76) =  99.862%  kept
          HD1   TRP   27 - QG2   ILE   19   8.26 +/- 0.92  10.318% *  0.8262% (0.87   0.02   0.02) =   0.102%  kept
          QD    PHE   59 - QG2   ILE   19  14.44 +/- 1.79   2.099% *  0.8262% (0.87   0.02   0.02) =   0.021%
          HH2   TRP   49 - QG2   ILE   19  18.21 +/- 4.15   1.542% *  0.8792% (0.92   0.02   0.02) =   0.016%
    Distance limit 4.08 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.1, residual support = 14.7:
          HE22  GLN   30 - QD1   ILE   19   4.34 +/- 1.22  93.029% * 93.6208% (0.25   2.11  14.76) =  99.849%  kept
          HN    CYS   50 - QD1   ILE   19  18.54 +/- 2.72   1.670% *  2.8556% (0.80   0.02   0.02) =   0.055%
          HN    VAL   83 - QD1   ILE   19  17.52 +/- 4.30   3.539% *  1.2165% (0.34   0.02   0.02) =   0.049%
          HN    TRP   49 - QD1   ILE   19  18.24 +/- 2.92   1.761% *  2.3070% (0.65   0.02   0.02) =   0.047%
    Distance limit 4.23 A violated in 4 structures by 0.53 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  17.98 +/- 2.31 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.03 A violated in 20 structures by 13.94 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   3.89 +/- 0.06  88.106% * 98.7208% (0.92   3.83  25.64) =  99.935%  kept
          HA    GLU-  25 - QB    ALA   20  10.56 +/- 1.57   6.598% *  0.5578% (1.00   0.02   0.02) =   0.042%
          HA    CYS   53 - QB    ALA   20  15.09 +/- 3.31   3.947% *  0.3831% (0.69   0.02   0.02) =   0.017%
          HA    SER   82 - QB    ALA   20  17.36 +/- 4.43   1.349% *  0.3383% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.96 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 = 0.857, support = 0.02, residual support = 4.2:
          QE    LYS+  74 - QB    ALA   20   5.55 +/- 3.07  55.196% * 25.4326% (0.90   0.02   6.84) =  61.269%  kept
          QB    CYS   50 - QB    ALA   20  12.94 +/- 3.43  16.149% * 26.1780% (0.92   0.02   0.02) =  18.451%  kept
          HB2   PHE   72 - QB    ALA   20   8.74 +/- 1.98  17.657% * 16.0552% (0.57   0.02   0.02) =  12.373%  kept
          HB3   ASN   69 - QB    ALA   20  14.73 +/- 2.09   5.650% * 27.3678% (0.97   0.02   0.02) =   6.749%  kept
          HB3   ASP-  78 - QB    ALA   20  12.46 +/- 3.90   5.349% *  4.9664% (0.18   0.02   0.02) =   1.160%  kept
    Distance limit 3.69 A violated in 5 structures by 1.50 A, kept.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 2.06, residual support = 4.72:
          HD2   HIS   22 - QB    ALA   20   3.66 +/- 0.66  55.853% * 71.2026% (0.92   2.20   5.51) =  85.326%  kept
          HN    THR   23 - QB    ALA   20   5.08 +/- 1.16  27.683% * 23.8086% (0.53   1.29   0.19) =  14.141%  kept
          HD1   TRP   49 - QB    ALA   20  15.64 +/- 4.06   5.524% *  3.5411% (0.99   0.10   0.02) =   0.420%  kept
          HN    LEU   67 - QB    ALA   20  10.79 +/- 1.85   6.167% *  0.6290% (0.90   0.02   0.02) =   0.083%
          QE    PHE   95 - QB    ALA   20  12.32 +/- 2.55   2.873% *  0.3414% (0.49   0.02   0.02) =   0.021%
          HD21  ASN   35 - QB    ALA   20  16.27 +/- 1.33   0.822% *  0.3690% (0.53   0.02   0.02) =   0.007%
          QD    PHE   55 - QB    ALA   20  16.46 +/- 3.64   1.077% *  0.1082% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.48 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 = 3.91, residual support = 16.4:
          HN    CYS   21 - QB    ALA   20   3.54 +/- 0.18  93.001% * 99.1335% (0.95   3.91  16.41) =  99.982%  kept
          HN    LYS+  33 - QB    ALA   20  11.74 +/- 1.12   2.922% *  0.3251% (0.61   0.02   0.02) =   0.010%
          HN    ILE  119 - QB    ALA   20  17.70 +/- 3.66   1.352% *  0.2820% (0.53   0.02   0.02) =   0.004%
          HN    ILE   89 - QB    ALA   20  17.15 +/- 3.19   1.074% *  0.1655% (0.31   0.02   0.02) =   0.002%
          HN    SER   37 - QB    ALA   20  14.36 +/- 1.43   1.650% *  0.0939% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.95 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   2.17 +/- 0.14  98.490% * 99.6086% (0.31  10.0   3.73  15.22) =  99.997%  kept
          HN    PHE   45 - QB    ALA   20  11.83 +/- 2.52   0.928% *  0.2343% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   20  18.82 +/- 3.31   0.581% *  0.1571% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.618, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  11.47 +/- 3.00  17.106% *  9.0526% (0.65   0.02   0.02) =  21.729%  kept
          HG    LEU  123 - HB2   CYS   21  23.39 +/- 7.28   7.992% * 13.7167% (0.98   0.02   0.02) =  15.383%  kept
          QB    LYS+  33 - HB2   CYS   21  10.10 +/- 1.91  21.493% *  4.7734% (0.34   0.02   0.02) =  14.396%  kept
          HG12  ILE  103 - HB2   CYS   21  16.47 +/- 3.86   8.198% * 11.2053% (0.80   0.02   0.02) =  12.890%  kept
          QB    LYS+  66 - HB2   CYS   21  14.80 +/- 2.69   8.276% *  6.2738% (0.45   0.02   0.02) =   7.286%  kept
          HB3   PRO   52 - HB2   CYS   21  22.39 +/- 4.41   2.369% * 13.7167% (0.98   0.02   0.02) =   4.561%  kept
          HG2   ARG+  54 - HB2   CYS   21  22.25 +/- 5.56   4.701% *  6.8115% (0.49   0.02   0.02) =   4.493%  kept
          HG3   PRO   68 - HB2   CYS   21  18.65 +/- 3.10   3.792% *  7.9226% (0.57   0.02   0.02) =   4.216%  kept
          HB    ILE  103 - HB2   CYS   21  18.63 +/- 4.14   3.849% *  7.3624% (0.53   0.02   0.02) =   3.976%  kept
          QB    LYS+  81 - HB2   CYS   21  15.82 +/- 4.54   8.388% *  3.1155% (0.22   0.02   0.02) =   3.667%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.46 +/- 4.25   2.735% *  6.2738% (0.45   0.02   0.02) =   2.408%  kept
          HG2   PRO   93 - HB2   CYS   21  19.66 +/- 3.47   3.962% *  3.1155% (0.22   0.02   0.02) =   1.732%  kept
          HB3   GLN   90 - HB2   CYS   21  20.47 +/- 3.55   3.099% *  3.8908% (0.28   0.02   0.02) =   1.692%  kept
          QB    LYS+ 106 - HB2   CYS   21  16.67 +/- 2.90   4.042% *  2.7693% (0.20   0.02   0.02) =   1.571%  kept
    Distance limit 3.78 A violated in 18 structures by 3.95 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.815, support = 1.32, residual support = 6.48:
          QD1   LEU   73 - HB2   CYS   21   4.36 +/- 1.87  36.770% * 43.0397% (0.80   1.50   9.00) =  70.367%  kept
          QD1   LEU   63 - HB2   CYS   21  12.31 +/- 4.54  13.868% * 25.7894% (0.80   0.90   0.52) =  15.903%  kept
          QD2   LEU   63 - HB2   CYS   21  12.21 +/- 3.52  10.050% * 29.8073% (0.92   0.90   0.52) =  13.321%  kept
          QD2   LEU   80 - HB2   CYS   21  10.06 +/- 6.09  14.520% *  0.2946% (0.41   0.02   0.02) =   0.190%  kept
          QD1   LEU   80 - HB2   CYS   21  11.07 +/- 6.46  14.208% *  0.1596% (0.22   0.02   0.02) =   0.101%  kept
          QG2   VAL   41 - HB2   CYS   21   9.58 +/- 2.82   4.191% *  0.2690% (0.38   0.02   0.02) =   0.050%
          QD2   LEU  115 - HB2   CYS   21  16.68 +/- 4.46   3.139% *  0.3213% (0.45   0.02   0.02) =   0.045%
          QD2   LEU   98 - HB2   CYS   21  11.70 +/- 2.68   2.206% *  0.1596% (0.22   0.02   0.02) =   0.016%
          QD1   LEU  104 - HB2   CYS   21  15.48 +/- 3.52   1.048% *  0.1596% (0.22   0.02   0.02) =   0.007%
    Distance limit 3.80 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.74, residual support = 30.0:
      O T HA    CYS   21 - HB2   CYS   21   2.55 +/- 0.20  97.299% * 99.6850% (0.92  10.0 10.00   2.74  29.96) =  99.997%  kept
          HA    LYS+ 102 - HB2   CYS   21  19.13 +/- 4.12   1.474% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - HB2   CYS   21  20.26 +/- 4.16   0.498% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  19.69 +/- 4.54   0.547% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.06 +/- 3.70   0.181% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.779, support = 3.18, residual support = 6.53:
          HD2   HIS   22 - HB2   CYS   21   5.76 +/- 0.66  30.274% * 73.6979% (0.92   3.73   8.27) =  63.529%  kept
          HN    THR   23 - HB2   CYS   21   4.39 +/- 1.16  50.980% * 24.9951% (0.53   2.22   3.53) =  36.283%  kept
          HD1   TRP   49 - HB2   CYS   21  19.59 +/- 4.51  10.333% *  0.4240% (0.99   0.02   0.02) =   0.125%  kept
          HN    LEU   67 - HB2   CYS   21  14.87 +/- 2.63   3.475% *  0.3837% (0.90   0.02   0.02) =   0.038%
          QE    PHE   95 - HB2   CYS   21  14.84 +/- 2.97   2.641% *  0.2082% (0.49   0.02   0.02) =   0.016%
          HD21  ASN   35 - HB2   CYS   21  16.24 +/- 1.92   1.076% *  0.2251% (0.53   0.02   0.02) =   0.007%
          QD    PHE   55 - HB2   CYS   21  21.22 +/- 4.88   1.221% *  0.0660% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.20 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 = 3.41, residual support = 30.0:
      O   HN    CYS   21 - HB2   CYS   21   3.06 +/- 0.46  93.535% * 99.8294% (0.95  10.0   3.41  29.96) =  99.996%  kept
          HN    LYS+  33 - HB2   CYS   21  11.02 +/- 1.87   3.219% *  0.0640% (0.61   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB2   CYS   21  21.21 +/- 5.75   1.586% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB2   CYS   21  18.06 +/- 3.17   0.629% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.27 +/- 1.69   1.030% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.423, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  11.39 +/- 3.18  16.156% *  9.0526% (0.44   0.02   0.02) =  20.643%  kept
          HG    LEU  123 - HB3   CYS   21  23.12 +/- 6.94   7.733% * 13.7167% (0.67   0.02   0.02) =  14.970%  kept
          QB    LYS+  33 - HB3   CYS   21  10.31 +/- 2.40  20.295% *  4.7734% (0.23   0.02   0.02) =  13.673%  kept
          HG12  ILE  103 - HB3   CYS   21  16.30 +/- 3.92   7.963% * 11.2053% (0.55   0.02   0.02) =  12.593%  kept
          QB    LYS+  66 - HB3   CYS   21  14.65 +/- 2.62   8.304% *  6.2738% (0.31   0.02   0.02) =   7.353%  kept
          HG2   ARG+  54 - HB3   CYS   21  21.85 +/- 5.39   6.221% *  6.8115% (0.33   0.02   0.02) =   5.981%  kept
          HB3   PRO   52 - HB3   CYS   21  22.07 +/- 4.29   2.622% * 13.7167% (0.67   0.02   0.02) =   5.076%  kept
          HB    ILE  103 - HB3   CYS   21  18.42 +/- 4.28   4.081% *  7.3624% (0.36   0.02   0.02) =   4.240%  kept
          HG3   PRO   68 - HB3   CYS   21  18.58 +/- 3.03   3.361% *  7.9226% (0.39   0.02   0.02) =   3.758%  kept
          QB    LYS+  81 - HB3   CYS   21  15.67 +/- 4.44   8.144% *  3.1155% (0.15   0.02   0.02) =   3.581%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.23 +/- 3.95   2.919% *  6.2738% (0.31   0.02   0.02) =   2.585%  kept
          HG2   PRO   93 - HB3   CYS   21  19.32 +/- 3.18   4.626% *  3.1155% (0.15   0.02   0.02) =   2.034%  kept
          HB3   GLN   90 - HB3   CYS   21  20.21 +/- 3.38   3.483% *  3.8908% (0.19   0.02   0.02) =   1.913%  kept
          QB    LYS+ 106 - HB3   CYS   21  16.46 +/- 2.71   4.092% *  2.7693% (0.14   0.02   0.02) =   1.600%  kept
    Distance limit 3.88 A violated in 18 structures by 3.75 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.605, support = 1.98, residual support = 3.33:
          QG2   THR   26 - HB3   CYS   21   4.60 +/- 2.41  48.447% * 75.2070% (0.60   2.18   2.43) =  88.043%  kept
          HB2   LYS+  74 - HB3   CYS   21   8.18 +/- 2.05  21.594% * 22.3113% (0.69   0.56  10.26) =  11.642%  kept
          HD2   LYS+ 121 - HB3   CYS   21  21.44 +/- 6.05   8.399% *  0.5783% (0.50   0.02   0.02) =   0.117%  kept
          HG2   LYS+  65 - HB3   CYS   21  14.01 +/- 2.00   5.073% *  0.6377% (0.55   0.02   0.02) =   0.078%
          QB    ALA  120 - HB3   CYS   21  20.21 +/- 5.00   6.403% *  0.2716% (0.23   0.02   0.02) =   0.042%
          HB3   LEU   40 - HB3   CYS   21  15.96 +/- 2.20   2.744% *  0.4509% (0.39   0.02   0.02) =   0.030%
          HG    LEU  115 - HB3   CYS   21  20.22 +/- 4.98   4.182% *  0.2716% (0.23   0.02   0.02) =   0.027%
          QD    LYS+  66 - HB3   CYS   21  16.01 +/- 2.41   3.157% *  0.2716% (0.23   0.02   0.02) =   0.021%
    Distance limit 4.17 A violated in 5 structures by 0.78 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.559, support = 1.58, residual support = 6.84:
          QD1   LEU   73 - HB3   CYS   21   4.19 +/- 1.84  39.762% * 47.4311% (0.55   1.81   9.00) =  74.596%  kept
          QD1   LEU   63 - HB3   CYS   21  12.19 +/- 4.12  13.976% * 24.1207% (0.55   0.92   0.52) =  13.334%  kept
          QD2   LEU   63 - HB3   CYS   21  12.01 +/- 3.36  10.940% * 27.2032% (0.63   0.90   0.52) =  11.771%  kept
          QD2   LEU   80 - HB3   CYS   21   9.85 +/- 6.02  12.641% *  0.2690% (0.28   0.02   0.02) =   0.134%  kept
          QD1   LEU   80 - HB3   CYS   21  10.81 +/- 6.41  11.594% *  0.1457% (0.15   0.02   0.02) =   0.067%
          QG2   VAL   41 - HB3   CYS   21   9.52 +/- 2.90   4.070% *  0.2456% (0.26   0.02   0.02) =   0.040%
          QD2   LEU  115 - HB3   CYS   21  16.39 +/- 4.18   3.229% *  0.2934% (0.31   0.02   0.02) =   0.037%
          QD2   LEU   98 - HB3   CYS   21  11.66 +/- 2.60   2.487% *  0.1457% (0.15   0.02   0.02) =   0.014%
          QD1   LEU  104 - HB3   CYS   21  15.34 +/- 3.32   1.301% *  0.1457% (0.15   0.02   0.02) =   0.007%
    Distance limit 3.97 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.42, residual support = 30.0:
      O   HN    CYS   21 - HB3   CYS   21   3.10 +/- 0.53  92.176% * 99.8294% (0.65  10.0   3.42  29.96) =  99.996%  kept
          HN    ILE  119 - HB3   CYS   21  20.88 +/- 5.58   3.550% *  0.0555% (0.36   1.0   0.02   0.02) =   0.002%
          HN    LYS+  33 - HB3   CYS   21  11.19 +/- 2.39   2.623% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  17.78 +/- 3.01   0.739% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.41 +/- 2.22   0.913% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.693, residual support = 1.37:
          HN    TRP   27 - HB3   CYS   21   5.07 +/- 2.19  50.756% * 87.9186% (0.52   0.70   1.39) =  98.381%  kept
          HD1   TRP   87 - HB3   CYS   21  15.49 +/- 3.93   7.451% *  3.0157% (0.63   0.02   0.02) =   0.495%  kept
          HN    ALA   61 - HB3   CYS   21  14.64 +/- 4.45  19.528% *  1.1144% (0.23   0.02   0.02) =   0.480%  kept
          HN    LYS+ 102 - HB3   CYS   21  19.36 +/- 3.85  10.187% *  1.2261% (0.26   0.02   0.02) =   0.275%  kept
          HN    THR   39 - HB3   CYS   21  15.20 +/- 1.86   2.388% *  3.0904% (0.65   0.02   0.02) =   0.163%  kept
          HN    GLU-  36 - HB3   CYS   21  15.14 +/- 2.31   2.479% *  1.8496% (0.39   0.02   0.02) =   0.101%  kept
          HE3   TRP   87 - HB3   CYS   21  17.39 +/- 3.68   5.468% *  0.4421% (0.09   0.02   0.02) =   0.053%
          HN    ALA   91 - HB3   CYS   21  19.38 +/- 2.71   1.743% *  1.3431% (0.28   0.02   0.02) =   0.052%
    Distance limit 4.15 A violated in 4 structures by 0.85 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.546, support = 3.43, residual support = 6.74:
          HD2   HIS   22 - HB3   CYS   21   5.75 +/- 0.86  31.842% * 76.3150% (0.63   4.06   8.27) =  67.876%  kept
          HN    THR   23 - HB3   CYS   21   4.49 +/- 1.04  50.998% * 22.4422% (0.36   2.10   3.53) =  31.969%  kept
          HD1   TRP   49 - HB3   CYS   21  19.37 +/- 4.25   8.794% *  0.4032% (0.68   0.02   0.02) =   0.099%
          HN    LEU   67 - HB3   CYS   21  14.71 +/- 2.47   3.163% *  0.3648% (0.62   0.02   0.02) =   0.032%
          QE    PHE   95 - HB3   CYS   21  14.62 +/- 2.64   2.579% *  0.1980% (0.33   0.02   0.02) =   0.014%
          HD21  ASN   35 - HB3   CYS   21  16.35 +/- 2.34   1.205% *  0.2140% (0.36   0.02   0.02) =   0.007%
          QD    PHE   55 - HB3   CYS   21  20.88 +/- 4.78   1.419% *  0.0628% (0.11   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.77, residual support = 30.0:
      O T HA    CYS   21 - HB3   CYS   21   2.62 +/- 0.25  95.261% * 99.6850% (0.63  10.0 10.00   2.77  29.96) =  99.995%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.98 +/- 4.40   3.533% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   49 - HB3   CYS   21  19.98 +/- 3.98   0.477% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.35 +/- 4.39   0.558% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  22.80 +/- 3.24   0.170% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.71, support = 2.91, residual support = 33.9:
      O   HD2   HIS   22 - HB2   HIS   22   3.88 +/- 0.27  54.472% * 87.2385% (0.74  10.0   2.70  35.14) =  90.942%  kept
          HN    THR   23 - HB2   HIS   22   4.42 +/- 0.22  37.908% * 12.4727% (0.42   1.0   5.02  21.52) =   9.048%  kept
          HD1   TRP   49 - HB2   HIS   22  19.06 +/- 5.96   3.648% *  0.0937% (0.79   1.0   0.02   0.02) =   0.007%
          HN    LEU   67 - HB2   HIS   22  17.66 +/- 2.95   0.876% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB2   HIS   22  17.28 +/- 3.38   1.002% *  0.0460% (0.39   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   HIS   22  21.73 +/- 6.61   1.759% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.68 +/- 1.42   0.336% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 3.3, residual support = 34.9:
      O   HD2   HIS   22 - HB3   HIS   22   2.97 +/- 0.24  69.450% * 94.8217% (0.95  10.0   3.25  35.14) =  98.070%  kept
          HN    THR   23 - HB3   HIS   22   4.25 +/- 0.30  26.179% *  4.9378% (0.18   1.0   5.63  21.52) =   1.925%  kept
          HD1   TRP   49 - HB3   HIS   22  19.81 +/- 5.56   3.073% *  0.0837% (0.84   1.0   0.02   0.02) =   0.004%
          HN    LEU   67 - HB3   HIS   22  17.83 +/- 2.77   0.485% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.79 +/- 1.84   0.214% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.58 +/- 3.36   0.600% *  0.0155% (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 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.42, residual support = 21.5:
          QG2   THR   23 - HB3   HIS   22   3.85 +/- 0.47  94.563% * 96.0991% (0.34   3.42  21.52) =  99.921%  kept
          QG2   THR   77 - HB3   HIS   22  13.68 +/- 1.82   3.428% *  1.6309% (0.99   0.02   0.02) =   0.061%
          QB    ALA   88 - HB3   HIS   22  19.88 +/- 1.78   0.837% *  1.1949% (0.73   0.02   0.02) =   0.011%
          HG2   LYS+  38 - HB3   HIS   22  23.07 +/- 1.76   0.523% *  0.6176% (0.38   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HB3   HIS   22  23.40 +/- 3.07   0.649% *  0.4575% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.452, support = 2.87, residual support = 9.73:
          HN    ALA   47 - HB    THR   46   3.71 +/- 0.37  78.563% * 63.8049% (0.38   3.20  11.18) =  86.596%  kept
          QD    PHE   95 - HB    THR   46   6.72 +/- 1.63  21.437% * 36.1951% (0.95   0.72   0.36) =  13.404%  kept
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 34.1:
      O   HN    THR   46 - HB    THR   46   3.27 +/- 0.38  86.913% * 99.6646% (0.87  10.0   3.22  34.15) =  99.988%  kept
          HN    MET   92 - HB    THR   46   9.31 +/- 2.10   5.356% *  0.0789% (0.69   1.0   0.02   0.02) =   0.005%
          HN    LYS+  74 - HB    THR   46  10.54 +/- 1.73   3.496% *  0.1126% (0.98   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB    THR   46  12.41 +/- 3.13   4.103% *  0.0604% (0.53   1.0   0.02   0.02) =   0.003%
          HN    MET   11 - HB    THR   46  30.99 +/- 5.20   0.133% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.388, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  17.36 +/- 4.89  17.156% * 28.3087% (0.14 10.00   0.02   0.02) =  39.554%  kept
          QG2   THR   77 - HB2   HIS   22  13.00 +/- 1.99  22.865% * 12.9434% (0.64  1.00   0.02   0.02) =  24.104%  kept
          QB    ALA   88 - HB2   HIS   22  19.52 +/- 1.93   6.874% * 16.1643% (0.80  1.00   0.02   0.02) =   9.050%  kept
          HB3   LEU   80 - HB2   HIS   22  14.00 +/- 5.36  25.793% *  4.0306% (0.20  1.00   0.02   0.02) =   8.467%  kept
          HB2   LEU   31 - HB2   HIS   22  15.82 +/- 0.86  12.035% *  6.0667% (0.30  1.00   0.02   0.02) =   5.947%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.93 +/- 3.16   5.671% * 11.7377% (0.58  1.00   0.02   0.02) =   5.421%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.91 +/- 1.54   3.509% * 13.5016% (0.67  1.00   0.02   0.02) =   3.859%  kept
          HG2   LYS+ 111 - HB2   HIS   22  26.21 +/- 6.04   6.096% *  7.2470% (0.36  1.00   0.02   0.02) =   3.598%  kept
    Distance limit 4.04 A violated in 19 structures by 5.80 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 16.4:
      O   HN    CYS   21 - HA    ALA   20   2.25 +/- 0.02  98.642% * 99.8294% (0.95  10.0   3.46  16.41) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  12.96 +/- 1.12   0.567% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.08 +/- 3.98   0.272% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  19.06 +/- 3.85   0.222% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  16.16 +/- 1.49   0.297% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20  10.33 +/- 4.32 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.29 A violated in 20 structures by 7.04 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   9.31 +/- 5.65  45.511% * 18.5628% (0.57   0.02   0.02) =  46.634%  kept
          QE    LYS+ 112 - HA    HIS   22  20.14 +/- 6.61  22.025% * 13.7211% (0.42   0.02   0.02) =  16.682%  kept
          QG    GLN   32 - HA    HIS   22  16.22 +/- 0.60   9.504% * 27.4474% (0.85   0.02   0.02) =  14.400%  kept
          HB3   PHE   45 - HA    HIS   22  14.76 +/- 2.34  16.048% * 13.7211% (0.42   0.02   0.02) =  12.155%  kept
          HB    VAL  107 - HA    HIS   22  20.51 +/- 3.05   6.912% * 26.5475% (0.82   0.02   0.02) =  10.130%  kept
    Distance limit 3.40 A violated in 15 structures by 3.78 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.43, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   8.84 +/- 1.99  26.123% * 28.4146% (0.26 10.00   0.02   0.02) =  62.189%  kept
          HB    VAL   83 - HA    HIS   22  14.01 +/- 4.50  10.744% *  8.1833% (0.76  1.00   0.02   0.02) =   7.366%  kept
          QD    LYS+  65 - HA    HIS   22  13.53 +/- 2.59  11.613% *  7.4210% (0.69  1.00   0.02   0.02) =   7.220%  kept
          QD    LYS+ 102 - HA    HIS   22  22.72 +/- 5.29   8.668% *  9.8627% (0.91  1.00   0.02   0.02) =   7.162%  kept
          HB2   LYS+ 121 - HA    HIS   22  23.48 +/- 6.01   6.362% *  7.0200% (0.65  1.00   0.02   0.02) =   3.742%  kept
          HB2   LEU  123 - HA    HIS   22  25.81 +/- 6.64   4.394% *  8.1833% (0.76  1.00   0.02   0.02) =   3.013%  kept
          HD2   LYS+  74 - HA    HIS   22   9.83 +/- 1.82  19.216% *  1.7898% (0.17  1.00   0.02   0.02) =   2.881%  kept
          HG3   PRO   93 - HA    HIS   22  19.41 +/- 3.46   3.532% *  8.5362% (0.79  1.00   0.02   0.02) =   2.526%  kept
          QD    LYS+  38 - HA    HIS   22  21.40 +/- 1.69   2.051% *  9.4340% (0.87  1.00   0.02   0.02) =   1.621%  kept
          HB3   MET   92 - HA    HIS   22  19.28 +/- 2.79   3.058% *  4.2014% (0.39  1.00   0.02   0.02) =   1.076%  kept
          HD2   LYS+ 111 - HA    HIS   22  25.90 +/- 5.59   2.021% *  5.3768% (0.50  1.00   0.02   0.02) =   0.911%  kept
          QD    LYS+ 106 - HA    HIS   22  19.56 +/- 2.75   2.217% *  1.5768% (0.15  1.00   0.02   0.02) =   0.293%  kept
    Distance limit 3.55 A violated in 19 structures by 3.80 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.372, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.52 +/- 0.53  83.980% * 67.5049% (0.39   0.02   0.02) =  91.590%  kept
          HN    LEU   40 - HA    HIS   22  19.24 +/- 1.82  16.020% * 32.4951% (0.19   0.02   0.02) =   8.410%  kept
    Distance limit 3.69 A violated in 20 structures by 6.76 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.38, residual support = 25.8:
      O   HN    VAL   24 - HA    THR   23   2.34 +/- 0.21 100.000% *100.0000% (0.64  10.0   5.38  25.76) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.26, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.91 +/- 0.47 100.000% *100.0000% (0.49   5.26  25.76) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.73, support = 4.59, residual support = 19.5:
          HN    THR   23 - QG2   THR   23   3.14 +/- 0.57  52.610% * 63.1415% (0.73   4.87  19.24) =  87.753%  kept
          HD2   HIS   22 - QG2   THR   23   5.30 +/- 0.84  13.165% * 35.0635% (0.76   2.57  21.52) =  12.194%  kept
          HD1   TRP   49 - QG2   THR   23  17.66 +/- 4.71   1.511% *  0.3204% (0.90   0.02   0.02) =   0.013%
          HE3   TRP   27 - QG2   THR   23   8.48 +/- 0.95   3.141% *  0.0795% (0.22   0.02   1.32) =   0.007%
          HN    LEU   67 - QG2   THR   23  15.93 +/- 2.29   0.539% *  0.3540% (0.99   0.02   0.02) =   0.005%
          HN    LEU   67 - QG2   THR   39  10.56 +/- 1.89   2.157% *  0.0788% (0.22   0.02   0.02) =   0.004%
          QE    PHE   95 - QG2   THR   23  15.32 +/- 2.44   0.640% *  0.2454% (0.69   0.02   0.02) =   0.004%
          QE    PHE   95 - QB    ALA   91   8.70 +/- 1.62   4.827% *  0.0258% (0.07   0.02   0.02) =   0.003%
          HD21  ASN   35 - QG2   THR   39   9.20 +/- 1.46   3.347% *  0.0271% (0.08   0.02   0.02) =   0.002%
          HD1   TRP   49 - QB    ALA   91  10.36 +/- 3.28   2.431% *  0.0337% (0.09   0.02   0.02) =   0.002%
          QD    PHE   55 - QB    ALA   91  12.94 +/- 4.05   5.912% *  0.0104% (0.03   0.02   0.02) =   0.002%
          HD2   HIS   22 - QG2   THR   39  14.49 +/- 2.37   0.983% *  0.0608% (0.17   0.02   0.02) =   0.002%
          HD21  ASN   35 - QG2   THR   23  16.32 +/- 1.54   0.475% *  0.1218% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG2   THR   39   9.82 +/- 1.64   3.018% *  0.0177% (0.05   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  14.51 +/- 1.71   0.814% *  0.0577% (0.16   0.02   0.02) =   0.001%
          QE    PHE   95 - QG2   THR   39  13.80 +/- 1.88   0.843% *  0.0546% (0.15   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  19.61 +/- 4.93   0.462% *  0.0993% (0.28   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.51 +/- 3.19   0.959% *  0.0372% (0.10   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   THR   39  21.94 +/- 3.30   0.333% *  0.0713% (0.20   0.02   0.02) =   0.001%
          HN    THR   23 - QB    ALA   91  17.98 +/- 2.64   0.503% *  0.0273% (0.08   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  19.69 +/- 2.19   0.307% *  0.0287% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.00 +/- 2.26   0.376% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  17.38 +/- 2.57   0.503% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  25.11 +/- 2.57   0.146% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.44 +/- 0.67  97.096% * 91.4893% (0.34   1.83  10.80) =  99.926%  kept
          HG3   MET   96 - HA    VAL   83  12.32 +/- 3.84   1.687% *  2.9247% (1.00   0.02   0.67) =   0.056%
          HB3   ASP-  62 - HA    VAL   83  20.24 +/- 2.73   0.333% *  2.2351% (0.76   0.02   0.02) =   0.008%
          HG2   GLU-  36 - HA    VAL   83  26.97 +/- 6.10   0.174% *  2.6998% (0.92   0.02   0.02) =   0.005%
          HG2   GLU-  29 - HA    VAL   83  20.50 +/- 7.40   0.710% *  0.6511% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.72 +/- 0.52  92.468% * 99.6258% (0.98 10.00   2.25  10.80) =  99.995%  kept
          HB2   ASN   28 - HA    VAL   83  17.12 +/- 7.79   2.120% *  0.0912% (0.90  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    VAL   83  17.91 +/- 4.28   1.286% *  0.0996% (0.98  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    VAL   83  11.39 +/- 1.99   3.366% *  0.0283% (0.28  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    VAL   83  21.31 +/- 5.65   0.450% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  24.55 +/- 6.49   0.310% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 85.5:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.03  98.977% * 99.7575% (0.57  10.0   4.70  85.49) =  99.999%  kept
          HN    CYS   50 - HA    VAL   83  18.73 +/- 3.62   0.484% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  18.06 +/- 3.55   0.539% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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   2.91 +/- 0.18  96.272% * 97.0740% (0.95   2.25  10.80) =  99.976%  kept
          HN    GLN   30 - HA    VAL   83  18.24 +/- 6.88   1.072% *  0.8941% (0.98   0.02   0.02) =   0.010%
          HN    GLU-  29 - HA    VAL   83  18.24 +/- 7.36   1.175% *  0.5164% (0.57   0.02   0.02) =   0.006%
          HN    LYS+  99 - HA    VAL   83  18.48 +/- 4.42   0.942% *  0.4090% (0.45   0.02   0.02) =   0.004%
          HE1   HIS  122 - HA    VAL   83  23.64 +/- 3.93   0.365% *  0.4799% (0.53   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    VAL   83  27.88 +/- 6.11   0.174% *  0.6266% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.08 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 = 0.719, support = 4.27, residual support = 16.5:
          HD1   TRP   87 - HA    VAL   83   3.95 +/- 0.25  80.268% * 87.3688% (0.73   4.31  16.54) =  98.462%  kept
          HE3   TRP   87 - HA    VAL   83   8.12 +/- 0.38   9.891% * 10.6996% (0.28   1.38  16.54) =   1.486%  kept
          HN    TRP   27 - HA    VAL   83  16.05 +/- 6.73   3.359% *  0.5278% (0.95   0.02   0.18) =   0.025%
          HN    ALA   91 - HA    VAL   83  11.52 +/- 0.81   3.523% *  0.3609% (0.65   0.02   0.02) =   0.018%
          HN    ALA   61 - HA    VAL   83  19.99 +/- 2.90   0.784% *  0.3159% (0.57   0.02   0.02) =   0.003%
          HN    THR   39 - HA    VAL   83  23.44 +/- 4.66   0.519% *  0.4264% (0.76   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HA    VAL   83  19.88 +/- 4.62   1.132% *  0.1104% (0.20   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   83  24.59 +/- 5.84   0.523% *  0.1903% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.691, support = 1.46, residual support = 2.14:
          QD1   LEU   73 - HA    VAL   24   5.82 +/- 2.79  27.943% * 29.2561% (0.80   1.39   1.51) =  39.589%  kept
          QD2   LEU   80 - HA    VAL   24   9.03 +/- 7.60  31.268% * 18.5892% (0.41   1.72   4.37) =  28.147%  kept
          QD1   LEU   63 - HA    VAL   24  13.39 +/- 5.05  13.969% * 34.1682% (0.80   1.62   0.80) =  23.114%  kept
          QD2   LEU   63 - HA    VAL   24  13.24 +/- 4.52  11.472% * 13.6658% (0.92   0.56   0.80) =   7.592%  kept
          QD1   LEU   80 - HA    VAL   24  10.49 +/- 7.48   8.518% *  3.6543% (0.22   0.63   4.37) =   1.507%  kept
          QG2   VAL   41 - HA    VAL   24  10.82 +/- 3.14   2.397% *  0.1971% (0.38   0.02   0.02) =   0.023%
          QD2   LEU   98 - HA    VAL   24  11.90 +/- 3.93   3.195% *  0.1169% (0.22   0.02   0.02) =   0.018%
          QD1   LEU  104 - HA    VAL   24  16.00 +/- 3.81   0.878% *  0.1169% (0.22   0.02   0.02) =   0.005%
          QD2   LEU  115 - HA    VAL   24  17.63 +/- 2.87   0.360% *  0.2355% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.13 A violated in 2 structures by 0.23 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.9:
      O T HB    VAL   24 - HA    VAL   24   2.50 +/- 0.27  97.252% * 98.9275% (1.00  10.0 10.00   3.97  64.94) =  99.995%  kept
        T HB2   PRO   68 - HA    VAL   24  20.90 +/- 4.07   0.307% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLN   32 - HA    VAL   24  10.40 +/- 0.51   1.504% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  20.09 +/- 4.42   0.523% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  21.75 +/- 3.84   0.212% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  22.76 +/- 4.10   0.203% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 27.0:
        T HB3   TRP   27 - HA    VAL   24   3.63 +/- 0.25  89.872% * 99.7179% (1.00 10.00   3.00  27.00) =  99.994%  kept
          HB2   PHE   97 - HA    VAL   24  17.84 +/- 3.40   1.891% *  0.0991% (0.99  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HA    VAL   24  17.37 +/- 4.88   3.884% *  0.0448% (0.45  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - HA    VAL   24  17.31 +/- 3.49   2.403% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    VAL   24  18.06 +/- 3.30   1.086% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  18.89 +/- 2.16   0.864% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 64.9:
      O   HN    VAL   24 - HA    VAL   24   2.75 +/- 0.06 100.000% *100.0000% (0.97  10.0   4.34  64.94) = 100.000%  kept
    Distance limit 3.51 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 = 0.865, support = 5.76, residual support = 31.1:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.02  49.900% * 84.3792% (0.92  10.0   5.65  33.88) =  85.472%  kept
          HN    ASN   28 - HA    VAL   24   3.72 +/- 0.43  46.046% * 15.5344% (0.53   1.0   6.46  14.89) =  14.520%  kept
          HN    ASP-  44 - HA    VAL   24  11.74 +/- 2.65   4.055% *  0.0865% (0.95   1.0   0.02   0.02) =   0.007%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.05, residual support = 27.0:
          HN    TRP   27 - HA    VAL   24   3.12 +/- 0.19  92.784% * 94.6912% (0.45   3.05  27.00) =  99.921%  kept
          HD1   TRP   87 - HA    VAL   24  14.62 +/- 5.11   2.166% *  1.3716% (0.99   0.02   0.02) =   0.034%
          HN    LYS+ 102 - HA    VAL   24  19.46 +/- 5.08   1.973% *  0.9506% (0.69   0.02   0.02) =   0.021%
          HN    GLU-  36 - HA    VAL   24  16.07 +/- 0.42   0.718% *  1.2004% (0.87   0.02   0.02) =   0.010%
          HN    THR   39 - HA    VAL   24  16.96 +/- 1.12   0.616% *  1.3565% (0.98   0.02   0.02) =   0.010%
          HN    ALA   61 - HA    VAL   24  17.02 +/- 3.60   1.097% *  0.1873% (0.14   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    VAL   24  19.07 +/- 4.28   0.645% *  0.2424% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.23, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  88.674% * 98.9402% (0.98  10.0 10.00   3.23  64.94) =  99.994%  kept
          HB3   LEU   31 - HB2   PRO   68  18.11 +/- 4.39   7.386% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   24 - HB2   PRO   68  19.43 +/- 3.95   0.247% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB    VAL   24  11.79 +/- 0.77   0.534% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.48 +/- 1.15   1.162% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.32 +/- 5.77   0.149% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.63 +/- 4.82   0.269% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.48 +/- 2.66   0.191% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.24 +/- 3.12   0.294% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.95 +/- 4.56   0.147% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  18.16 +/- 3.80   0.255% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.30 +/- 3.16   0.692% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.19, residual support = 64.9:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.01  94.768% * 99.6470% (1.00  10.0   3.19  64.94) =  99.996%  kept
          HG    LEU   63 - HB    VAL   24  17.30 +/- 5.55   2.400% *  0.0979% (0.98   1.0   0.02   0.80) =   0.002%
          HG    LEU   63 - HB2   PRO   68  10.85 +/- 2.36   1.552% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   PRO   68  18.83 +/- 4.11   0.452% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  24.54 +/- 5.67   0.137% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  22.27 +/- 4.29   0.168% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.48 +/- 2.66   0.208% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.24 +/- 3.12   0.314% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.681, support = 1.51, residual support = 2.76:
          QD2   LEU   80 - HB    VAL   24   8.96 +/- 7.06  29.642% * 35.6984% (0.80   1.61   4.37) =  53.299%  kept
          QD1   LEU   73 - HB    VAL   24   7.42 +/- 2.66  22.675% * 18.5270% (0.41   1.63   1.51) =  21.160%  kept
          QG1   VAL   83 - HB    VAL   24   9.77 +/- 5.46   9.314% * 29.5079% (0.87   1.23   0.13) =  13.844%  kept
          QD1   LEU   63 - HB    VAL   24  14.47 +/- 5.18  16.584% * 13.7046% (0.41   1.20   0.80) =  11.448%  kept
          QD1   LEU  104 - HB    VAL   24  16.94 +/- 4.41   2.522% *  0.5349% (0.97   0.02   0.02) =   0.068%
          QD1   LEU   63 - HB2   PRO   68   9.22 +/- 2.52   8.529% *  0.1348% (0.24   0.02   0.02) =   0.058%
          QD1   LEU  104 - HB2   PRO   68  14.71 +/- 3.71   2.040% *  0.3164% (0.57   0.02   0.02) =   0.033%
          QD2   LEU  115 - HB    VAL   24  17.98 +/- 3.32   1.230% *  0.4236% (0.76   0.02   0.02) =   0.026%
          QG2   ILE   89 - HB    VAL   24  12.70 +/- 3.65   2.867% *  0.1382% (0.25   0.02   0.02) =   0.020%
          QD2   LEU  115 - HB2   PRO   68  16.07 +/- 2.90   1.378% *  0.2506% (0.45   0.02   0.02) =   0.017%
          QD1   LEU   73 - HB2   PRO   68  14.60 +/- 1.53   1.340% *  0.1348% (0.24   0.02   0.02) =   0.009%
          QG1   VAL   83 - HB2   PRO   68  19.79 +/- 3.20   0.510% *  0.2844% (0.51   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB2   PRO   68  19.42 +/- 2.99   0.469% *  0.2626% (0.47   0.02   0.02) =   0.006%
          QG2   ILE   89 - HB2   PRO   68  18.76 +/- 3.65   0.898% *  0.0818% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.95 A violated in 2 structures by 0.42 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   2.50 +/- 0.27  77.044% * 89.0301% (0.90  10.0 10.00   3.97  64.94) =  96.884%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.14  21.430% * 10.2842% (0.10  10.0  1.00   5.47  36.42) =   3.113%  kept
        T HA    VAL   24 - HB2   PRO   68  20.90 +/- 4.07   0.243% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB2   PRO   68  16.08 +/- 3.23   0.566% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.73 +/- 1.66   0.172% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.34 +/- 4.64   0.545% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.23, residual support = 64.9:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.02  96.669% * 98.6521% (0.92  10.0 10.00   3.23  64.94) =  99.995%  kept
        T HB2   PRO   68 - QG1   VAL   24  19.43 +/- 3.95   0.272% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLN   32 - QG1   VAL   24  10.32 +/- 0.62   0.865% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - QG1   VAL   24  18.61 +/- 4.79   0.761% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - QG1   VAL   24  21.04 +/- 5.25   0.766% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.31 +/- 2.69   0.265% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  19.31 +/- 3.71   0.212% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  19.50 +/- 3.67   0.191% *  0.0330% (0.31   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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.379, support = 5.56, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.57 +/- 0.60  44.263% * 43.5134% (0.20  10.0   5.84  31.05) =  55.088%  kept
          HN    GLU-  25 - HB    VAL   24   3.79 +/- 0.55  38.624% * 33.3176% (0.53   1.0   5.87  33.88) =  36.807%  kept
          HN    ASN   28 - HB    VAL   24   5.62 +/- 0.39  12.453% * 22.7162% (0.92   1.0   2.28  14.89) =   8.091%  kept
          HN    ASP-  44 - HB    VAL   24  12.73 +/- 2.79   2.589% *  0.1221% (0.57   1.0   0.02   0.02) =   0.009%
          HN    ASN   28 - HB2   PRO   68  20.83 +/- 4.02   0.679% *  0.1178% (0.55   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   PRO   68  14.98 +/- 2.50   0.784% *  0.0722% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ASN   69 - HB    VAL   24  20.77 +/- 3.65   0.351% *  0.0736% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  23.54 +/- 4.22   0.258% *  0.0671% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.50 +/- 0.21  99.759% * 99.9409% (0.38  10.0   4.68  64.94) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  22.53 +/- 4.14   0.241% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 64.9:
          HN    VAL   24 - QG1   VAL   24   2.08 +/- 0.36 100.000% *100.0000% (0.73   4.09  64.94) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.422, support = 6.04, residual support = 125.1:
      O   HN    GLU-  25 - HB2   GLU-  25   2.95 +/- 0.31  85.847% * 88.7629% (0.41  10.0   6.13 127.46) =  98.114%  kept
          HN    ASN   28 - HB2   GLU-  25   5.68 +/- 0.14  13.258% * 11.0435% (0.98   1.0   1.04   3.81) =   1.885%  kept
          HN    ASP-  44 - HB2   GLU-  25  16.92 +/- 2.38   0.677% *  0.0968% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.98 +/- 2.79   0.218% *  0.0968% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.425, support = 5.76, residual support = 124.5:
      O   HN    GLU-  25 - HB3   GLU-  25   2.44 +/- 0.64  89.070% * 82.2364% (0.41  10.0   5.85 127.46) =  97.600%  kept
          HN    ASN   28 - HB3   GLU-  25   5.93 +/- 0.15  10.242% * 17.5842% (0.98   1.0   1.79   3.81) =   2.400%  kept
          HN    ASP-  44 - HB3   GLU-  25  17.00 +/- 2.57   0.412% *  0.0897% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  23.36 +/- 2.83   0.276% *  0.0897% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 31.9:
          HN    THR   26 - HB3   GLU-  25   3.48 +/- 0.26  98.679% * 98.7375% (0.34   5.23  31.94) =  99.992%  kept
          HN    LEU   71 - HB3   GLU-  25  20.26 +/- 1.59   0.577% *  0.8467% (0.76   0.02   0.02) =   0.005%
          HN    GLU- 114 - HB3   GLU-  25  29.10 +/- 4.66   0.745% *  0.4158% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.93, residual support = 2.87:
          HN    SER   85 - HA    SER   82   3.57 +/- 0.27  78.953% * 86.4522% (0.26   2.96   2.90) =  98.937%  kept
          HN    LEU   80 - HA    SER   82   7.52 +/- 0.56   8.905% *  6.3753% (0.10   0.57   0.33) =   0.823%  kept
          HN    GLN   32 - HA    GLU-  25   9.55 +/- 0.49   4.428% *  2.2542% (1.00   0.02   0.02) =   0.145%  kept
          HN    SER   85 - HA    GLU-  25  19.42 +/- 7.16   1.208% *  1.8050% (0.80   0.02   0.02) =   0.032%
          HN    LEU   80 - HA    GLU-  25  16.40 +/- 6.78   2.576% *  0.6957% (0.31   0.02   0.02) =   0.026%
          HN    ALA   34 - HA    GLU-  25  12.58 +/- 0.51   1.910% *  0.9267% (0.41   0.02   0.02) =   0.026%
          HN    GLN   32 - HA    SER   82  23.21 +/- 7.40   0.707% *  0.7302% (0.32   0.02   0.02) =   0.007%
          HN    CYS   53 - HA    GLU-  25  25.18 +/- 4.06   0.388% *  0.3478% (0.15   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    SER   82  24.48 +/- 5.83   0.421% *  0.3002% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    SER   82  21.21 +/- 3.63   0.503% *  0.1127% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 0.479, support = 5.54, residual support = 112.6:
      O   HN    GLU-  25 - HA    GLU-  25   2.72 +/- 0.03  71.413% * 71.9626% (0.41  10.0   5.85 127.46) =  88.007%  kept
          HN    ASN   28 - HA    GLU-  25   3.87 +/- 0.17  25.232% * 27.7507% (0.98   1.0   3.23   3.81) =  11.991%  kept
          HN    ASN   28 - HA    SER   82  18.50 +/- 8.10   1.020% *  0.0556% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  15.92 +/- 2.40   0.484% *  0.0785% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  17.55 +/- 8.34   1.118% *  0.0233% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  22.23 +/- 3.10   0.203% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.94 +/- 2.51   0.440% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  26.32 +/- 2.76   0.090% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.336, support = 3.96, residual support = 8.11:
          HN    ALA   84 - HA    SER   82   4.15 +/- 0.12  48.102% * 52.9018% (0.20   5.32  10.37) =  65.692%  kept
          HD21  ASN   28 - HA    GLU-  25   4.86 +/- 0.44  31.479% * 42.0275% (0.61   1.37   3.81) =  34.153%  kept
          HD21  ASN   28 - HA    SER   82  16.65 +/- 8.91   8.706% *  0.1989% (0.20   0.02   0.02) =   0.045%
          HN    ALA   84 - HA    GLU-  25  17.90 +/- 6.84   1.557% *  0.6139% (0.61   0.02   0.02) =   0.025%
          HN    LEU   63 - HA    GLU-  25  20.52 +/- 3.82   0.865% *  1.0032% (0.99   0.02   0.02) =   0.022%
          HZ2   TRP   87 - HA    GLU-  25  16.67 +/- 5.60   1.675% *  0.4161% (0.41   0.02   0.02) =   0.018%
          HE21  GLN   32 - HA    GLU-  25  11.92 +/- 1.60   2.453% *  0.2253% (0.22   0.02   0.02) =   0.014%
          HZ2   TRP   87 - HA    SER   82  10.71 +/- 1.04   3.126% *  0.1348% (0.13   0.02   0.02) =   0.011%
          HN    ILE   56 - HA    GLU-  25  25.89 +/- 4.06   0.281% *  0.9575% (0.95   0.02   0.02) =   0.007%
          HN    LYS+ 111 - HA    GLU-  25  27.05 +/- 3.58   0.264% *  0.6139% (0.61   0.02   0.02) =   0.004%
          HN    LEU   63 - HA    SER   82  22.46 +/- 1.88   0.323% *  0.3250% (0.32   0.02   0.02) =   0.003%
          HN    ILE   56 - HA    SER   82  24.06 +/- 3.22   0.307% *  0.3102% (0.31   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HA    SER   82  21.61 +/- 2.74   0.395% *  0.1989% (0.20   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  26.81 +/- 8.27   0.468% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 0.97, support = 1.12, residual support = 3.7:
          HB2   ASN   28 - HA    GLU-  25   3.40 +/- 0.31  70.243% * 79.7943% (0.99   1.13   3.81) =  97.272%  kept
          HB2   ASP-  86 - HA    SER   82   6.66 +/- 0.73  11.672% * 12.6304% (0.24   0.76   0.02) =   2.559%  kept
          QE    LYS+  33 - HA    GLU-  25  12.13 +/- 1.31   1.987% *  1.4177% (1.00   0.02   0.02) =   0.049%
          HB2   ASP-  78 - HA    SER   82  10.90 +/- 1.86   5.757% *  0.2792% (0.20   0.02   0.02) =   0.028%
          HB2   ASP-  86 - HA    GLU-  25  17.80 +/- 6.69   1.347% *  1.0318% (0.73   0.02   0.02) =   0.024%
          QE    LYS+  65 - HA    GLU-  25  18.68 +/- 3.59   0.883% *  1.3116% (0.92   0.02   0.02) =   0.020%
          HB2   ASN   28 - HA    SER   82  19.73 +/- 8.61   1.738% *  0.4562% (0.32   0.02   0.02) =   0.014%
          HB2   ASP-  78 - HA    GLU-  25  18.68 +/- 3.98   0.638% *  0.8618% (0.61   0.02   0.02) =   0.010%
          HB2   ASN   35 - HA    GLU-  25  16.39 +/- 1.27   0.708% *  0.5333% (0.38   0.02   0.02) =   0.007%
          HB2   ASP-  76 - HA    GLU-  25  15.88 +/- 4.03   1.146% *  0.2812% (0.20   0.02   0.02) =   0.006%
          QE    LYS+  65 - HA    SER   82  19.55 +/- 4.70   0.647% *  0.4249% (0.30   0.02   0.02) =   0.005%
          HB2   ASP-  76 - HA    SER   82  11.34 +/- 1.13   2.217% *  0.0911% (0.06   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    SER   82  24.13 +/- 5.70   0.344% *  0.4593% (0.32   0.02   0.02) =   0.003%
          HB2   ASN   69 - HA    GLU-  25  23.86 +/- 2.68   0.301% *  0.1923% (0.14   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    SER   82  28.09 +/- 6.23   0.211% *  0.1727% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  28.12 +/- 3.36   0.160% *  0.0623% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.32, support = 2.77, residual support = 10.3:
          QB    ALA   84 - HA    SER   82   4.41 +/- 0.16  46.882% * 79.0415% (0.32   2.80  10.37) =  99.087%  kept
          HG    LEU   98 - HA    GLU-  25  17.19 +/- 5.29   3.670% *  1.6655% (0.95   0.02   0.02) =   0.163%  kept
          HB3   LEU   80 - HA    SER   82   6.68 +/- 0.88  15.932% *  0.2776% (0.16   0.02   0.33) =   0.118%  kept
          QB    ALA   84 - HA    GLU-  25  16.22 +/- 5.08   1.880% *  1.7451% (0.99   0.02   0.02) =   0.088%
          HB2   LEU   31 - HA    GLU-  25   9.38 +/- 0.22   4.951% *  0.6006% (0.34   0.02   0.02) =   0.080%
          HB3   LEU   80 - HA    GLU-  25  15.96 +/- 7.18   3.382% *  0.8570% (0.49   0.02   0.02) =   0.078%
          HB3   LEU   73 - HA    GLU-  25  12.21 +/- 2.56   2.943% *  0.7238% (0.41   0.02   0.02) =   0.057%
          HB2   LEU   63 - HA    GLU-  25  20.32 +/- 4.58   1.489% *  1.0679% (0.61   0.02   0.02) =   0.043%
          HG3   LYS+ 102 - HA    GLU-  25  21.77 +/- 6.23   1.586% *  0.7894% (0.45   0.02   0.02) =   0.033%
          HB3   ASP-  44 - HA    GLU-  25  17.88 +/- 2.16   0.944% *  1.2785% (0.73   0.02   0.02) =   0.032%
          HG3   LYS+  33 - HA    GLU-  25  12.17 +/- 0.92   2.395% *  0.4895% (0.28   0.02   0.02) =   0.031%
          HB3   PRO   93 - HA    GLU-  25  22.41 +/- 3.19   0.564% *  1.7568% (1.00   0.02   0.02) =   0.026%
          QB    ALA  124 - HA    GLU-  25  26.04 +/- 5.61   0.539% *  1.5273% (0.87   0.02   0.02) =   0.022%
          HG3   LYS+ 106 - HA    GLU-  25  21.78 +/- 3.89   0.530% *  1.1390% (0.65   0.02   0.02) =   0.016%
          HG3   LYS+  65 - HA    GLU-  25  20.19 +/- 3.75   0.909% *  0.6006% (0.34   0.02   0.02) =   0.015%
          HB3   PRO   93 - HA    SER   82  17.54 +/- 1.84   0.934% *  0.5691% (0.32   0.02   0.02) =   0.014%
          HB    VAL   42 - HA    GLU-  25  17.88 +/- 2.31   0.840% *  0.6006% (0.34   0.02   0.02) =   0.013%
          HB3   ASP-  44 - HA    SER   82  16.94 +/- 2.39   1.191% *  0.4142% (0.24   0.02   0.02) =   0.013%
          HG    LEU   98 - HA    SER   82  19.61 +/- 3.93   0.821% *  0.5395% (0.31   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - HA    SER   82  19.24 +/- 3.47   0.820% *  0.3690% (0.21   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HA    GLU-  25  27.64 +/- 4.79   0.296% *  0.9263% (0.53   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    SER   82  17.68 +/- 3.04   1.017% *  0.2345% (0.13   0.02   0.02) =   0.006%
          HB2   LEU   31 - HA    SER   82  21.50 +/- 7.37   1.207% *  0.1946% (0.11   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HA    SER   82  23.07 +/- 5.20   0.827% *  0.2557% (0.15   0.02   0.02) =   0.006%
          HB2   LEU   63 - HA    SER   82  22.44 +/- 2.46   0.414% *  0.3459% (0.20   0.02   0.02) =   0.004%
          QB    ALA  124 - HA    SER   82  28.65 +/- 3.95   0.274% *  0.4947% (0.28   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HA    GLU-  25  28.33 +/- 4.11   0.267% *  0.4895% (0.28   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    SER   82  24.19 +/- 4.21   0.423% *  0.3001% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    SER   82  21.95 +/- 4.18   0.627% *  0.1946% (0.11   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  20.89 +/- 2.67   0.526% *  0.1946% (0.11   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HA    SER   82  22.80 +/- 3.45   0.464% *  0.1586% (0.09   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  25.27 +/- 6.23   0.453% *  0.1586% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.68 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.578, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    GLU-  25  19.54 +/- 3.51  11.088% * 22.9376% (0.92   0.02   0.02) =  25.667%  kept
          HB2   LEU  104 - HA    GLU-  25  21.54 +/- 4.25   9.882% * 19.8967% (0.80   0.02   0.02) =  19.843%  kept
          QG2   VAL  108 - HA    SER   82  14.68 +/- 2.77  23.664% *  7.4304% (0.30   0.02   0.02) =  17.745%  kept
          QD1   ILE  119 - HA    GLU-  25  20.55 +/- 3.17   8.746% * 12.0948% (0.49   0.02   0.02) =  10.676%  kept
          HG    LEU   63 - HA    GLU-  25  20.13 +/- 4.81  14.330% *  5.5320% (0.22   0.02   0.02) =   8.000%  kept
          HG3   LYS+ 112 - HA    GLU-  25  28.14 +/- 5.33   3.756% * 15.0711% (0.61   0.02   0.02) =   5.712%  kept
          HB2   LEU  104 - HA    SER   82  23.05 +/- 3.93   7.463% *  6.4453% (0.26   0.02   0.02) =   4.854%  kept
          QD1   ILE  119 - HA    SER   82  20.58 +/- 1.84   8.270% *  3.9180% (0.16   0.02   0.02) =   3.270%  kept
          HG3   LYS+ 112 - HA    SER   82  24.53 +/- 4.44   6.149% *  4.8821% (0.20   0.02   0.02) =   3.030%  kept
          HG    LEU   63 - HA    SER   82  22.74 +/- 2.35   6.651% *  1.7920% (0.07   0.02   0.02) =   1.203%  kept
    Distance limit 4.02 A violated in 20 structures by 7.71 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.283, support = 3.19, residual support = 22.7:
          HB2   GLU-  25 - HA    THR   26   4.12 +/- 0.22  29.146% * 79.0310% (0.31   4.07  31.94) =  70.432%  kept
          HB2   GLU-  29 - HA    THR   26   2.97 +/- 0.62  63.514% * 15.1420% (0.22   1.08   0.75) =  29.407%  kept
          QG    GLN   17 - HA    THR   26  13.35 +/- 3.34   4.401% *  0.5171% (0.41   0.02   0.02) =   0.070%
          HG2   GLU- 100 - HA    THR   26  19.28 +/- 4.07   1.109% *  1.1897% (0.95   0.02   0.02) =   0.040%
          HB3   ASP-  76 - HA    THR   26  15.80 +/- 3.46   0.671% *  1.1279% (0.90   0.02   0.02) =   0.023%
          HB2   MET   96 - HA    THR   26  17.87 +/- 2.97   0.373% *  1.1279% (0.90   0.02   0.02) =   0.013%
          HB    VAL   70 - HA    THR   26  17.55 +/- 2.09   0.457% *  0.6122% (0.49   0.02   0.02) =   0.009%
          HB2   ASP- 105 - HA    THR   26  23.00 +/- 2.98   0.187% *  0.8639% (0.69   0.02   0.02) =   0.005%
          HG3   MET   92 - HA    THR   26  25.49 +/- 3.92   0.142% *  0.3882% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.92, residual support = 34.8:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.03  99.095% * 99.6670% (0.34  10.0   4.92  34.80) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  16.49 +/- 2.01   0.636% *  0.2233% (0.76   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    THR   26  28.46 +/- 4.47   0.269% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.562, support = 1.27, residual support = 3.75:
          HN    GLN   30 - HA    THR   26   4.35 +/- 0.43  30.255% * 80.8710% (0.69   1.46   4.87) =  72.934%  kept
          HN    GLU-  29 - HA    THR   26   3.27 +/- 0.11  65.545% * 13.7586% (0.22   0.76   0.75) =  26.881%  kept
          HN    GLU-  14 - HA    THR   26  15.24 +/- 3.92   2.836% *  1.5861% (0.98   0.02   0.02) =   0.134%  kept
          HN    LYS+  99 - HA    THR   26  19.03 +/- 3.51   0.546% *  1.3516% (0.84   0.02   0.02) =   0.022%
          HE1   HIS  122 - HA    THR   26  23.33 +/- 5.41   0.378% *  1.4512% (0.90   0.02   0.02) =   0.016%
          HN    ASP-  86 - HA    THR   26  20.99 +/- 6.23   0.439% *  0.9815% (0.61   0.02   0.02) =   0.013%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.456, support = 1.94, residual support = 11.4:
          HN    THR   23 - HB    THR   26   3.95 +/- 0.26  68.741% * 68.2620% (0.38   2.19  13.11) =  86.774%  kept
          HD2   HIS   22 - HB    THR   26   6.44 +/- 1.52  26.172% * 27.1064% (0.99   0.33   0.02) =  13.119%  kept
          HD1   TRP   49 - HB    THR   26  22.30 +/- 4.95   1.298% *  1.6493% (0.99   0.02   0.02) =   0.040%
          HN    LEU   67 - HB    THR   26  17.60 +/- 2.45   1.173% *  1.2717% (0.76   0.02   0.02) =   0.028%
          HD21  ASN   35 - HB    THR   26  15.99 +/- 1.12   1.165% *  1.1430% (0.69   0.02   0.02) =   0.025%
          QE    PHE   95 - HB    THR   26  17.85 +/- 2.74   1.451% *  0.5676% (0.34   0.02   0.02) =   0.015%
    Distance limit 3.76 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.45, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   2.87 +/- 0.12  96.530% * 98.0838% (0.84   4.45  22.68) =  99.990%  kept
          HN    THR   39 - HB    THR   26  16.47 +/- 1.31   0.554% *  0.4731% (0.90   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB    THR   26  18.56 +/- 4.71   0.546% *  0.4576% (0.87   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB    THR   26  15.01 +/- 0.85   0.707% *  0.2568% (0.49   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  18.31 +/- 3.68   0.556% *  0.2169% (0.41   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB    THR   26  21.38 +/- 4.11   0.467% *  0.1628% (0.31   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  22.73 +/- 3.59   0.247% *  0.2568% (0.49   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    THR   26  20.37 +/- 4.22   0.393% *  0.0924% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.86 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 +/- 0.08  99.727% * 99.9615% (0.80  10.0   4.16  34.80) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  16.29 +/- 1.94   0.273% *  0.0385% (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 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.585, support = 0.551, residual support = 1.06:
          HA    ALA   20 - QG2   THR   26   5.87 +/- 1.07  29.481% * 71.6372% (0.87   0.42   0.13) =  59.084%  kept
          HA    CYS   21 - QG2   THR   26   3.90 +/- 1.62  55.793% * 25.9790% (0.18   0.75   2.43) =  40.549%  kept
          HA    LEU   71 - QG2   THR   26  11.24 +/- 2.35  11.173% *  0.6104% (0.15   0.02   0.02) =   0.191%  kept
          HA    LYS+ 102 - QG2   THR   26  17.28 +/- 3.27   3.553% *  1.7735% (0.45   0.02   0.02) =   0.176%  kept
    Distance limit 3.52 A violated in 2 structures by 0.42 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.14 +/- 2.89  33.039% * 18.7520% (0.92   0.02   0.02) =  44.195%  kept
          HG2   MET   11 - QG2   THR   26  15.38 +/- 3.69  14.296% * 19.2160% (0.95   0.02   0.02) =  19.597%  kept
          HG2   PRO   58 - QG2   THR   26  19.30 +/- 3.58   8.488% * 17.6208% (0.87   0.02   0.02) =  10.669%  kept
          HB2   PRO   93 - QG2   THR   26  18.11 +/- 2.74  11.607% * 12.3210% (0.61   0.02   0.02) =  10.201%  kept
          HG3   PRO   52 - QG2   THR   26  21.41 +/- 3.41   5.614% * 17.6208% (0.87   0.02   0.02) =   7.056%  kept
          HB2   PRO   68 - QG2   THR   26  16.76 +/- 2.77  13.893% *  3.1343% (0.15   0.02   0.02) =   3.106%  kept
          HB    VAL  108 - QG2   THR   26  19.87 +/- 2.59   7.750% *  5.0653% (0.25   0.02   0.02) =   2.800%  kept
          HB2   ARG+  54 - QG2   THR   26  21.22 +/- 4.08   5.313% *  6.2698% (0.31   0.02   0.02) =   2.376%  kept
    Distance limit 3.51 A violated in 20 structures by 6.36 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.748, residual support = 4.85:
        T HG2   GLN   30 - QG2   THR   26   3.04 +/- 0.71  87.991% * 96.7916% (0.99 10.00   0.75   4.87) =  99.653%  kept
          HB3   ASN   28 - QG2   THR   26   7.10 +/- 0.20   9.873% *  2.9780% (0.97  1.00   0.24   0.42) =   0.344%  kept
          QE    LYS+ 121 - QG2   THR   26  18.68 +/- 4.43   0.990% *  0.1580% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   HIS  122 - QG2   THR   26  19.61 +/- 4.58   1.146% *  0.0724% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.947, support = 3.37, residual support = 14.7:
          QD1   LEU   73 - HB3   TRP   27   3.45 +/- 2.85  43.309% * 42.4696% (1.00   3.79  22.62) =  57.265%  kept
          QD2   LEU   80 - HB3   TRP   27   9.57 +/- 7.30  28.549% * 28.5957% (0.80   3.19   5.12) =  25.417%  kept
          QD1   LEU   63 - HB3   TRP   27  11.36 +/- 4.68  21.642% * 25.2299% (1.00   2.25   2.78) =  17.000%  kept
          QD2   LEU   63 - HB3   TRP   27  11.33 +/- 3.67   2.893% *  2.0542% (0.57   0.32   2.78) =   0.185%  kept
          QG1   VAL   83 - HB3   TRP   27  10.62 +/- 5.66   3.133% *  1.3368% (0.18   0.68   0.18) =   0.130%  kept
          QD1   LEU  104 - HB3   TRP   27  14.36 +/- 3.13   0.353% *  0.1267% (0.57   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   TRP   27  16.38 +/- 2.30   0.120% *  0.1870% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 27.0:
        T HA    VAL   24 - HB3   TRP   27   3.63 +/- 0.25  90.370% * 98.5200% (0.76 10.00   3.00  27.00) =  99.966%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.93 +/- 1.61   1.787% *  1.2636% (0.98 10.00   0.02   0.02) =   0.025%
        T HA    GLU- 100 - HB3   TRP   27  16.30 +/- 3.76   3.285% *  0.1989% (0.15 10.00   0.02   0.02) =   0.007%
          HA    VAL   83 - HB3   TRP   27  14.71 +/- 6.46   4.558% *  0.0174% (0.14  1.00   0.02   0.18) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 27.0:
          HA    VAL   24 - HB2   TRP   27   2.10 +/- 0.21  98.723% * 99.1878% (0.97   3.00  27.00) =  99.997%  kept
          HA    LYS+  38 - HB2   TRP   27  16.07 +/- 1.46   0.298% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HD2   PRO   68 - HB2   TRP   27  17.55 +/- 3.54   0.371% *  0.1709% (0.25   0.02   0.02) =   0.001%
          HA    ALA   61 - HB2   TRP   27  14.63 +/- 3.28   0.608% *  0.0927% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.30 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 = 0.926, support = 3.33, residual support = 12.7:
          QD1   LEU   73 - HB2   TRP   27   4.55 +/- 2.85  35.025% * 39.0805% (0.90   3.93  22.62) =  45.227%  kept
          QD2   LEU   80 - HB2   TRP   27   9.39 +/- 7.57  35.160% * 33.5865% (0.98   3.09   5.12) =  39.018%  kept
          QD1   LEU   63 - HB2   TRP   27  12.45 +/- 4.96  20.286% * 22.6330% (0.90   2.28   2.78) =  15.170%  kept
          QG1   VAL   83 - HB2   TRP   27  10.51 +/- 5.83   3.777% *  3.2651% (0.38   0.78   0.18) =   0.408%  kept
          QD2   LEU   63 - HB2   TRP   27  12.39 +/- 4.07   5.088% *  1.0298% (0.31   0.30   2.78) =   0.173%  kept
          QD1   LEU  104 - HB2   TRP   27  15.19 +/- 3.38   0.485% *  0.1853% (0.84   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB2   TRP   27  17.20 +/- 2.60   0.178% *  0.2198% (0.99   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.13, residual support = 19.6:
          QD1   LEU   31 - HA    ASN   28   3.39 +/- 0.68 100.000% *100.0000% (0.76   3.13  19.56) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.222, support = 5.23, residual support = 92.3:
      O T HA    GLU-  29 - HG3   GLU-  29   3.52 +/- 0.30  85.995% * 97.0747% (0.22  10.0 10.00   5.24  92.44) =  99.881%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.43 +/- 0.96   5.577% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.099%
          HB2   SER   37 - HG3   GLU-  29  15.05 +/- 1.51   1.344% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - HG3   GLU-  29  17.34 +/- 3.28   1.481% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   18 - HG3   GLU-  29  14.43 +/- 2.95   3.062% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   GLU-  29  18.91 +/- 2.40   0.757% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HG3   GLU-  29  21.31 +/- 8.93   1.532% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   GLU-  29  28.02 +/- 3.90   0.253% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 100.7:
      O   HD1   TRP   27 - HB2   TRP   27   2.68 +/- 0.08  87.682% * 99.7286% (0.98  10.0   3.65 100.69) =  99.987%  kept
          HE21  GLN   30 - HB2   TRP   27   7.28 +/- 1.96  11.204% *  0.0939% (0.92   1.0   0.02   0.02) =   0.012%
          QD    PHE   59 - HB2   TRP   27  17.13 +/- 2.95   0.621% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  20.96 +/- 3.92   0.494% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 5.36, residual support = 100.7:
      O   HN    TRP   27 - HB2   TRP   27   2.04 +/- 0.07  97.792% * 99.5184% (0.76  10.0   5.36 100.69) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  14.89 +/- 5.11   0.579% *  0.1202% (0.92   1.0   0.02   5.58) =   0.001%
          HN    THR   39 - HB2   TRP   27  15.18 +/- 1.19   0.257% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.44 +/- 0.40   0.280% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  16.11 +/- 3.30   0.349% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  18.70 +/- 4.26   0.312% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  19.37 +/- 3.76   0.155% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  16.72 +/- 4.37   0.277% *  0.0176% (0.14   1.0   0.02   5.58) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.908, support = 5.23, residual support = 46.4:
          HN    ASN   28 - HB2   TRP   27   3.14 +/- 0.22  72.972% * 93.1831% (0.92   5.29  47.32) =  98.055%  kept
          HN    GLU-  25 - HB2   TRP   27   4.83 +/- 0.25  20.846% *  6.4446% (0.15   2.19   0.65) =   1.937%  kept
          HN    ASP-  44 - HB2   TRP   27  10.89 +/- 2.49   5.556% *  0.0668% (0.18   0.02   0.02) =   0.005%
          HN    ASN   69 - HB2   TRP   27  17.72 +/- 2.57   0.627% *  0.3055% (0.80   0.02   0.02) =   0.003%
    Distance limit 3.59 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 = 0.771, support = 4.43, residual support = 97.4:
      O   HE3   TRP   27 - HB3   TRP   27   2.68 +/- 0.20  76.847% * 86.3992% (0.76  10.0   4.50 100.69) =  96.669%  kept
          HN    THR   23 - HB3   TRP   27   4.93 +/- 0.63  17.240% * 13.2529% (0.98   1.0   2.39   1.32) =   3.327%  kept
          HD2   HIS   22 - HB3   TRP   27   8.31 +/- 1.11   3.465% *  0.0252% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  14.28 +/- 2.59   0.877% *  0.0777% (0.69   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   TRP   27  14.19 +/- 1.67   0.586% *  0.1121% (0.99   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   TRP   27  19.74 +/- 4.38   0.785% *  0.0386% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.11 +/- 3.05   0.199% *  0.0944% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 100.6:
      O   HD1   TRP   27 - HB3   TRP   27   3.76 +/- 0.11  62.896% * 99.7286% (0.98  10.0   4.08 100.69) =  99.945%  kept
          HE21  GLN   30 - HB3   TRP   27   6.01 +/- 2.02  34.789% *  0.0939% (0.92   1.0   0.02   0.02) =   0.052%
          QD    PHE   59 - HB3   TRP   27  16.16 +/- 2.61   1.157% *  0.0997% (0.98   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB3   TRP   27  20.28 +/- 4.04   1.158% *  0.0778% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 100.7:
      O   HN    TRP   27 - HB3   TRP   27   3.13 +/- 0.16  91.468% * 99.5184% (0.76  10.0   5.64 100.69) =  99.993%  kept
          HD1   TRP   87 - HB3   TRP   27  14.73 +/- 5.01   1.974% *  0.1202% (0.92   1.0   0.02   5.58) =   0.003%
          HN    THR   39 - HB3   TRP   27  13.91 +/- 1.35   1.281% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  13.62 +/- 0.60   1.181% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   TRP   27  14.87 +/- 2.97   1.581% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   TRP   27  18.06 +/- 3.72   1.003% *  0.0489% (0.38   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  19.04 +/- 3.48   0.545% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  16.41 +/- 4.38   0.967% *  0.0176% (0.14   1.0   0.02   5.58) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 47.3:
          HN    ASN   28 - HB3   TRP   27   4.14 +/- 0.08  97.667% * 99.4709% (0.65   5.76  47.32) =  99.987%  kept
          HN    ASN   69 - HB3   TRP   27  16.27 +/- 2.38   2.333% *  0.5291% (0.99   0.02   0.02) =   0.013%
    Distance limit 3.83 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 = 0.223, support = 4.33, residual support = 19.5:
          HN    LEU   31 - HA    ASN   28   3.52 +/- 0.12  95.014% * 95.9457% (0.22   4.34  19.56) =  99.944%  kept
          HN    LYS+  38 - HA    ASN   28  13.29 +/- 0.78   1.804% *  1.9482% (0.98   0.02   0.02) =   0.039%
          HN    SER   37 - HA    ASN   28  12.81 +/- 0.50   1.989% *  0.3481% (0.18   0.02   0.02) =   0.008%
          HN    ASP-  62 - HA    ASN   28  18.63 +/- 2.54   0.822% *  0.5526% (0.28   0.02   0.02) =   0.005%
          HN    ARG+  54 - HA    ASN   28  24.92 +/- 3.49   0.371% *  1.2055% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.11 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 = 0.175, support = 6.84, residual support = 19.1:
          HN    GLN   30 - HA    ASN   28   3.96 +/- 0.09  83.822% * 95.6366% (0.18   6.86  19.12) =  99.807%  kept
          HN    GLU-  14 - HA    ASN   28  17.04 +/- 3.72   4.870% *  1.1567% (0.73   0.02   0.02) =   0.070%
          HN    LYS+  99 - HA    ASN   28  14.83 +/- 4.24   3.581% *  1.4704% (0.92   0.02   0.02) =   0.066%
          HE1   HIS  122 - HA    ASN   28  20.80 +/- 6.18   1.837% *  1.3817% (0.87   0.02   0.02) =   0.032%
          HN    ASN   35 - HA    ASN   28   9.64 +/- 0.41   5.890% *  0.3546% (0.22   0.02   0.02) =   0.026%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.3, residual support = 94.7:
      O   HN    ASN   28 - HB2   ASN   28   2.43 +/- 0.09  98.313% * 99.7686% (0.65  10.0   6.30  94.71) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   28  20.65 +/- 3.13   0.259% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  18.07 +/- 3.40   0.789% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.53 +/- 1.19   0.638% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 94.7:
      O   HD22  ASN   28 - HB3   ASN   28   3.35 +/- 0.07  98.560% * 99.9746% (0.98  10.0   3.55  94.71) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.50 +/- 1.56   1.440% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 3.51, residual support = 94.6:
      O   HD21  ASN   28 - HB3   ASN   28   4.04 +/- 0.04  88.412% * 98.4828% (0.87  10.0   3.51  94.71) =  99.880%  kept
          HZ2   TRP   87 - HB3   ASN   28  15.72 +/- 6.84   7.351% *  1.3910% (0.98   1.0   0.25   0.02) =   0.117%  kept
          QE    PHE   60 - HB3   ASN   28  17.73 +/- 4.50   2.662% *  0.0780% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB3   ASN   28  20.22 +/- 3.22   1.170% *  0.0283% (0.25   1.0   0.02   0.23) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.34 +/- 3.25   0.406% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.603, support = 5.46, residual support = 28.0:
          HN    GLU-  29 - HB3   ASN   28   3.33 +/- 0.19  68.439% * 36.7724% (0.45   5.79  32.38) =  67.270%  kept
          HN    GLN   30 - HB3   ASN   28   5.06 +/- 0.11  19.577% * 62.4119% (0.92   4.78  19.12) =  32.659%  kept
          HN    GLU-  14 - HB3   ASN   28  17.99 +/- 4.47   9.195% *  0.2267% (0.80   0.02   0.02) =   0.056%
          HN    ASP-  86 - HB3   ASN   28  19.03 +/- 7.77   1.185% *  0.2456% (0.87   0.02   0.02) =   0.008%
          HN    LYS+  99 - HB3   ASN   28  16.45 +/- 4.50   1.071% *  0.1603% (0.57   0.02   0.02) =   0.005%
          HE1   HIS  122 - HB3   ASN   28  22.92 +/- 6.25   0.532% *  0.1831% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.91 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 = 6.02, residual support = 94.7:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.01  86.676% * 99.8777% (0.92  10.0   6.02  94.71) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   7.07 +/- 0.35  11.199% *  0.0167% (0.15   1.0   0.02   3.81) =   0.002%
          HN    ASN   69 - HB3   ASN   28  20.66 +/- 3.40   0.822% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.43 +/- 2.35   1.302% *  0.0189% (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 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.376, support = 4.54, residual support = 19.1:
          HN    GLN   30 - HB2   ASN   28   4.57 +/- 0.17  63.465% * 95.1261% (0.38   4.55  19.12) =  99.622%  kept
          HN    GLU-  14 - HB2   ASN   28  17.56 +/- 4.28  12.035% *  1.0531% (0.95   0.02   0.02) =   0.209%  kept
          HN    LYS+  99 - HB2   ASN   28  17.20 +/- 4.41   2.930% *  1.1108% (1.00   0.02   0.02) =   0.054%
          HN    GLU-  14 - HB2   ASN   35  15.95 +/- 4.01   6.424% *  0.3276% (0.29   0.02   0.02) =   0.035%
          HN    LYS+  99 - HB2   ASN   35  14.20 +/- 4.30   4.344% *  0.3455% (0.31   0.02   0.02) =   0.025%
          HE1   HIS  122 - HB2   ASN   28  22.97 +/- 6.04   1.282% *  1.1108% (1.00   0.02   0.02) =   0.024%
          HN    ASP-  86 - HB2   ASN   28  19.02 +/- 7.35   2.463% *  0.3436% (0.31   0.02   0.02) =   0.014%
          HN    GLN   30 - HB2   ASN   35  10.72 +/- 1.03   5.570% *  0.1300% (0.12   0.02   0.02) =   0.012%
          HE1   HIS  122 - HB2   ASN   35  22.92 +/- 7.28   0.953% *  0.3455% (0.31   0.02   0.02) =   0.005%
          HN    ASP-  86 - HB2   ASN   35  25.99 +/- 6.15   0.535% *  0.1069% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 3 structures by 1.26 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.87, residual support = 94.7:
      O   HD21  ASN   28 - HB2   ASN   28   3.95 +/- 0.04  87.137% * 99.5979% (0.61  10.0   3.87  94.71) =  99.985%  kept
          HZ2   TRP   87 - HB2   ASN   28  15.95 +/- 6.31   4.690% *  0.1315% (0.80   1.0   0.02   0.02) =   0.007%
          QE    PHE   60 - HB2   ASN   28  17.36 +/- 4.67   3.407% *  0.1516% (0.92   1.0   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HB2   ASN   35  20.80 +/- 7.41   1.708% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  14.60 +/- 1.35   1.937% *  0.0310% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  19.32 +/- 3.46   1.122% *  0.0472% (0.29   1.0   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.485, support = 6.42, residual support = 26.3:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  61.479% * 98.3472% (0.49  10.0   6.43  26.36) =  99.871%  kept
          HN    GLN   30 - HA    GLN   32   6.85 +/- 0.15   8.242% *  0.6092% (0.11   1.0   0.55   1.75) =   0.083%
          HN    GLU-  14 - HA    GLU-  29  15.33 +/- 4.25   8.199% *  0.2003% (0.99   1.0   0.02   0.02) =   0.027%
          HN    GLU-  14 - HA    LYS+  33  12.95 +/- 3.31   7.717% *  0.0549% (0.27   1.0   0.02   0.02) =   0.007%
          HN    GLN   30 - HA    LYS+  33   7.47 +/- 0.47   6.600% *  0.0270% (0.13   1.0   0.02   0.30) =   0.003%
          HN    LYS+  99 - HA    GLU-  29  16.75 +/- 3.45   0.798% *  0.1950% (0.96   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLN   32  15.60 +/- 4.09   1.869% *  0.0449% (0.22   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLU-  29  23.35 +/- 6.12   0.413% *  0.2003% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   32  14.30 +/- 4.00   1.706% *  0.0437% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  15.92 +/- 3.03   0.882% *  0.0535% (0.26   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.93 +/- 6.90   0.551% *  0.0831% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  23.00 +/- 6.62   0.413% *  0.0549% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  22.45 +/- 6.79   0.435% *  0.0449% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  23.30 +/- 6.84   0.447% *  0.0186% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  25.49 +/- 5.71   0.250% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.513, support = 5.68, residual support = 78.6:
      O   HN    GLU-  29 - HB2   GLU-  29   2.37 +/- 0.31  71.354% * 57.8637% (0.41  10.0   5.44  92.44) =  79.017%  kept
          HN    GLN   30 - HB2   GLU-  29   3.39 +/- 0.37  26.274% * 41.7191% (0.90   1.0   6.61  26.36) =  20.978%  kept
          HN    GLU-  14 - HB2   GLU-  29  14.78 +/- 3.85   1.844% *  0.1176% (0.84   1.0   0.02   0.02) =   0.004%
          HN    ASP-  86 - HB2   GLU-  29  22.01 +/- 6.56   0.166% *  0.1176% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.22 +/- 3.13   0.204% *  0.0854% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  23.67 +/- 5.79   0.158% *  0.0967% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.548, support = 4.99, residual support = 73.8:
      O   HN    GLU-  29 - HB3   GLU-  29   3.46 +/- 0.21  48.088% * 63.3978% (0.41  10.0   4.91  92.44) =  71.761%  kept
          HN    GLN   30 - HB3   GLU-  29   3.92 +/- 0.24  33.344% * 35.9410% (0.90   1.0   5.20  26.36) =  28.209%  kept
          HN    GLU-  14 - HB3   GLU-  29  14.16 +/- 4.04   5.674% *  0.1288% (0.84   1.0   0.02   0.02) =   0.017%
          HN    GLU-  14 - QB    GLU-  36  11.62 +/- 3.07   6.267% *  0.0399% (0.26   1.0   0.02   0.02) =   0.006%
          HN    GLN   30 - QB    GLU-  36   9.44 +/- 0.59   2.482% *  0.0428% (0.28   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HB3   GLU-  29  18.17 +/- 3.09   0.427% *  0.0935% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  23.12 +/- 6.50   0.303% *  0.1288% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  10.84 +/- 0.72   1.656% *  0.0196% (0.13   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  29  24.06 +/- 5.89   0.291% *  0.1059% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  14.93 +/- 3.02   0.901% *  0.0290% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  21.51 +/- 6.01   0.384% *  0.0328% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  24.81 +/- 4.69   0.184% *  0.0399% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.929, support = 4.39, residual support = 92.0:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.83 +/- 0.09  36.472% * 95.1378% (0.99  10.0 10.00   4.40  92.44) =  93.413%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.37 +/- 0.16  60.697% *  4.0244% (0.04  10.0 10.00   4.28  86.34) =   6.576%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.29 +/- 1.17   0.858% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   GLU-  36 - HB3   GLU-  29  10.86 +/- 1.58   0.721% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HB3   GLU-  29  21.96 +/- 7.19   0.161% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  22.22 +/- 3.12   0.105% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  21.52 +/- 2.56   0.091% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.07 +/- 3.41   0.156% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  25.84 +/- 4.87   0.071% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  23.66 +/- 5.60   0.094% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  21.19 +/- 2.11   0.101% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.03 +/- 2.79   0.090% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  18.35 +/- 2.78   0.164% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.44 +/- 1.04   0.074% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  24.68 +/- 3.43   0.067% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.67 +/- 2.03   0.080% *  0.0059% (0.06   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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 0.303, residual support = 0.302:
          QD    LYS+  33 - HA    GLN   30   3.84 +/- 0.57  92.408% * 82.3717% (0.95   0.30   0.30) =  99.616%  kept
          HB3   LEU  123 - HA    GLN   30  26.44 +/- 5.97   3.045% *  5.4222% (0.95   0.02   0.02) =   0.216%  kept
          QB    ALA   57 - HA    GLN   30  18.90 +/- 3.22   1.401% *  3.9373% (0.69   0.02   0.02) =   0.072%
          HD2   LYS+  74 - HA    GLN   30  14.20 +/- 1.63   2.375% *  2.1513% (0.38   0.02   0.02) =   0.067%
          HD3   LYS+ 111 - HA    GLN   30  29.98 +/- 4.06   0.305% *  4.1623% (0.73   0.02   0.02) =   0.017%
          HG3   ARG+  54 - HA    GLN   30  27.19 +/- 3.70   0.467% *  1.9552% (0.34   0.02   0.02) =   0.012%
    Distance limit 3.85 A violated in 0 structures by 0.22 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.469, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HA    GLN   30  21.69 +/- 4.69  10.793% * 48.0646% (0.90   0.02   0.02) =  36.422%  kept
          QD1   LEU   71 - HA    GLN   30   9.63 +/- 2.82  57.280% *  8.2693% (0.15   0.02   0.02) =  33.255%  kept
          HB3   LEU  104 - HA    GLN   30  19.03 +/- 3.03   9.565% * 22.0331% (0.41   0.02   0.02) =  14.796%  kept
          QD1   LEU  123 - HA    GLN   30  20.17 +/- 4.61  15.247% *  8.2693% (0.15   0.02   0.02) =   8.852%  kept
          HG3   LYS+ 121 - HA    GLN   30  23.82 +/- 6.55   7.114% * 13.3638% (0.25   0.02   0.02) =   6.675%  kept
    Distance limit 4.06 A violated in 19 structures by 4.89 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 6.37, residual support = 156.1:
      O   HN    GLN   30 - HA    GLN   30   2.80 +/- 0.02  82.976% * 88.3666% (0.98  10.0   6.41 158.85) =  97.895%  kept
          HN    GLU-  29 - HA    GLN   30   5.10 +/- 0.08  13.816% * 11.3983% (0.57   1.0   4.47  26.36) =   2.103%  kept
          HN    GLU-  14 - HA    GLN   30  12.28 +/- 2.68   1.805% *  0.0619% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   30  21.96 +/- 5.72   0.290% *  0.0853% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  15.63 +/- 2.66   0.602% *  0.0404% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  20.88 +/- 5.80   0.511% *  0.0474% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 6.37, residual support = 156.5:
      O   HN    GLN   30 - HB2   GLN   30   2.89 +/- 0.69  81.767% * 89.6502% (0.98  10.0   6.42 158.85) =  98.227%  kept
          HN    GLU-  29 - HB2   GLN   30   5.38 +/- 0.77  13.053% * 10.1114% (0.57   1.0   3.91  26.36) =   1.769%  kept
          HN    GLU-  14 - HB2   GLN   30  13.11 +/- 2.46   1.921% *  0.0628% (0.69   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLN   30  19.40 +/- 5.70   1.817% *  0.0481% (0.53   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLN   30  19.90 +/- 5.63   0.498% *  0.0865% (0.95   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLN   30  14.88 +/- 2.62   0.944% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 6.93, residual support = 157.6:
      O   HN    GLN   30 - HB3   GLN   30   2.58 +/- 0.46  85.148% * 93.2041% (0.65  10.0   6.95 158.85) =  99.081%  kept
          HN    GLU-  29 - HB3   GLN   30   5.04 +/- 0.55  11.598% *  6.3135% (0.20   1.0   4.43  26.36) =   0.914%  kept
          HN    GLU-  14 - HB3   GLN   30  13.29 +/- 2.37   0.909% *  0.1428% (0.99   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB3   GLN   30  19.15 +/- 5.62   0.920% *  0.1330% (0.92   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLN   30  14.68 +/- 2.76   0.946% *  0.1250% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  19.61 +/- 5.60   0.479% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 7.26, residual support = 152.8:
          HN    GLN   30 - HG2   GLN   30   3.42 +/- 0.48  76.137% * 82.3606% (0.65   7.38 158.85) =  95.427%  kept
          HN    GLU-  29 - HG2   GLN   30   5.52 +/- 0.66  18.119% * 16.4837% (0.20   4.83  26.36) =   4.545%  kept
          HN    GLU-  14 - HG2   GLN   30  11.94 +/- 2.48   3.374% *  0.3422% (0.99   0.02   0.02) =   0.018%
          HN    LYS+  99 - HG2   GLN   30  16.48 +/- 2.66   1.022% *  0.2994% (0.87   0.02   0.02) =   0.005%
          HE1   HIS  122 - HG2   GLN   30  20.38 +/- 5.44   0.781% *  0.3187% (0.92   0.02   0.02) =   0.004%
          HN    ASP-  86 - HG2   GLN   30  21.21 +/- 5.29   0.568% *  0.1954% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.03, residual support = 158.0:
      O   HE21  GLN   30 - HG2   GLN   30   3.99 +/- 0.21  86.462% * 95.8634% (0.87  10.0   4.05 158.85) =  99.469%  kept
          HD1   TRP   27 - HG2   GLN   30   8.10 +/- 0.79  11.146% *  3.9504% (1.00   1.0   0.72   0.02) =   0.528%  kept
          QD    PHE   59 - HG2   GLN   30  18.41 +/- 2.63   1.074% *  0.1103% (1.00   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG2   GLN   30  23.32 +/- 4.64   1.317% *  0.0759% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.17, residual support = 158.6:
      O   HE21  GLN   30 - HG3   GLN   30   3.87 +/- 0.22  57.098% * 98.5158% (0.87  10.0   3.17 158.85) =  99.849%  kept
          HD1   TRP   27 - HG3   GLN   30   8.19 +/- 0.68   6.766% *  1.1804% (1.00   1.0   0.21   0.02) =   0.142%  kept
          QD    PHE   59 - HB2   PRO   93   8.51 +/- 2.57  12.018% *  0.0088% (0.08   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HG3   GLN   30  22.85 +/- 4.81   1.066% *  0.0780% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111  10.30 +/- 1.12   3.582% *  0.0228% (0.20   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HG3   GLN   30  17.83 +/- 2.23   0.693% *  0.1133% (1.00   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  10.96 +/- 3.17  12.903% *  0.0061% (0.05   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   LYS+ 111  15.99 +/- 5.62   3.760% *  0.0157% (0.14   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   PRO   93  18.37 +/- 3.08   0.914% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.46 +/- 3.79   0.325% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.31 +/- 3.73   0.281% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.47 +/- 2.25   0.594% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.626, support = 6.37, residual support = 152.8:
          HN    GLN   30 - HG3   GLN   30   3.82 +/- 0.68  67.267% * 82.6005% (0.65   6.49 158.85) =  95.423%  kept
          HN    GLU-  29 - HG3   GLN   30   6.05 +/- 0.94  16.867% * 15.6221% (0.20   4.01  26.36) =   4.525%  kept
          HN    GLU-  14 - HG3   GLN   30  11.82 +/- 2.42   4.301% *  0.3900% (0.99   0.02   0.02) =   0.029%
          HN    LYS+  99 - HG3   GLN   30  16.07 +/- 2.71   1.498% *  0.3413% (0.87   0.02   0.02) =   0.009%
          HE1   HIS  122 - HG3   GLN   30  19.80 +/- 5.26   0.972% *  0.3632% (0.92   0.02   0.02) =   0.006%
          HN    ASP-  86 - HG3   GLN   30  21.06 +/- 5.51   0.829% *  0.2228% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  17.98 +/- 2.20   0.923% *  0.0730% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  15.67 +/- 3.27   1.805% *  0.0283% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  22.23 +/- 2.96   0.600% *  0.0686% (0.17   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   LYS+ 111  20.58 +/- 3.62   0.918% *  0.0448% (0.11   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  15.42 +/- 1.19   1.379% *  0.0174% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.51 +/- 0.56   0.603% *  0.0266% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.38 +/- 3.47   0.281% *  0.0512% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  33.00 +/- 4.57   0.164% *  0.0784% (0.20   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.65 +/- 2.39   0.572% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  27.52 +/- 3.15   0.255% *  0.0304% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.45 +/- 3.67   0.259% *  0.0157% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.77 +/- 2.64   0.505% *  0.0061% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.167, support = 5.42, residual support = 45.4:
          HG    LEU   31 - HB3   GLN   30   3.96 +/- 0.34  53.373% * 74.9861% (0.15  1.00   6.14  51.48) =  86.651%  kept
          QD2   LEU   73 - HB3   GLN   30   4.89 +/- 1.83  40.879% * 14.7990% (0.25  1.00   0.75   5.70) =  13.098%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.26 +/- 2.13   0.766% *  7.7036% (0.49 10.00   0.02   0.02) =   0.128%  kept
          QD2   LEU  123 - HB3   GLN   30  20.39 +/- 4.40   3.462% *  0.9599% (0.61  1.00   0.02   0.02) =   0.072%
          HG3   LYS+ 121 - HB3   GLN   30  22.13 +/- 6.31   1.520% *  1.5513% (0.98  1.00   0.02   0.02) =   0.051%
    Distance limit 3.72 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 2.49, residual support = 5.1:
          QD1   LEU   73 - HB3   GLN   30   4.30 +/- 2.76  56.496% * 73.1498% (0.87   2.70   5.70) =  89.403%  kept
          QD1   LEU   63 - HB3   GLN   30  12.17 +/- 3.85  22.038% * 20.6231% (0.87   0.76   0.02) =   9.832%  kept
          QD2   LEU   63 - HB3   GLN   30  11.96 +/- 2.94   9.016% *  2.1591% (0.28   0.25   0.02) =   0.421%  kept
          QD1   LEU  104 - HB3   GLN   30  13.48 +/- 2.71   4.652% *  2.5694% (0.87   0.09   0.02) =   0.259%  kept
          QD2   LEU   80 - HB3   GLN   30  12.83 +/- 6.66   4.220% *  0.6189% (0.99   0.02   0.02) =   0.057%
          QD2   LEU  115 - HB3   GLN   30  17.70 +/- 2.10   1.090% *  0.6231% (1.00   0.02   0.02) =   0.015%
          QG1   VAL   83 - HB3   GLN   30  13.20 +/- 5.51   2.488% *  0.2567% (0.41   0.02   0.02) =   0.014%
    Distance limit 3.80 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.53 +/- 4.53  31.547% * 54.6388% (0.97   0.02   0.02) =  55.608%  kept
          HG3   LYS+ 121 - HB2   GLN   30  22.42 +/- 6.36  27.897% * 36.6255% (0.65   0.02   0.02) =  32.963%  kept
          QD1   ILE   56 - HB2   GLN   30  18.49 +/- 2.25  40.556% *  8.7356% (0.15   0.02   0.02) =  11.430%  kept
    Distance limit 3.55 A violated in 20 structures by 12.33 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 2.62, residual support = 5.19:
          QD1   LEU   73 - HB2   GLN   30   4.68 +/- 2.68  53.231% * 75.8788% (0.87   2.82   5.70) =  90.991%  kept
          QD1   LEU   63 - HB2   GLN   30  12.34 +/- 3.67  19.991% * 17.8687% (0.87   0.66   0.02) =   8.047%  kept
          QD2   LEU   63 - HB2   GLN   30  12.09 +/- 2.70  10.045% *  2.2136% (0.28   0.26   0.02) =   0.501%  kept
          QD1   LEU  104 - HB2   GLN   30  13.65 +/- 2.85   5.824% *  2.5509% (0.87   0.09   0.02) =   0.335%  kept
          QD2   LEU   80 - HB2   GLN   30  13.00 +/- 6.74   6.012% *  0.6145% (0.99   0.02   0.02) =   0.083%
          QD2   LEU  115 - HB2   GLN   30  17.91 +/- 2.13   1.803% *  0.6186% (1.00   0.02   0.02) =   0.025%
          QG1   VAL   83 - HB2   GLN   30  13.42 +/- 5.61   3.094% *  0.2549% (0.41   0.02   0.02) =   0.018%
    Distance limit 3.80 A violated in 3 structures by 0.59 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.93, residual support = 158.8:
      O T HA    GLN   30 - HG3   GLN   30   3.00 +/- 0.57  61.886% * 98.6729% (0.65  10.0 10.00   4.93 158.85) =  99.972%  kept
          HB    THR   39 - HG3   GLN   30  10.52 +/- 2.73   4.248% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          QB    SER   13 - HG3   GLN   30  12.00 +/- 2.86   2.918% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HD3   PRO   52 - HB2   PRO   93  10.92 +/- 4.01   3.109% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB3   SER   37 - HG3   GLN   30  10.30 +/- 1.79   2.332% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HB3   SER   82 - HG3   GLN   30  20.45 +/- 7.20   0.656% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - HB2   LYS+ 111  14.80 +/- 2.97   1.889% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   8.77 +/- 3.49   9.973% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.06 +/- 3.49   0.120% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  21.77 +/- 3.21   0.241% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.34 +/- 2.00   2.895% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.71 +/- 1.39   3.051% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.98 +/- 4.43   0.983% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.04 +/- 3.55   0.171% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.46 +/- 2.27   0.205% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  21.24 +/- 2.63   0.276% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.08 +/- 3.69   0.233% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  23.83 +/- 4.16   0.256% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  17.96 +/- 2.22   0.637% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  10.92 +/- 2.50   2.444% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.43 +/- 2.32   0.715% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  27.28 +/- 3.10   0.123% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  31.12 +/- 4.13   0.091% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.25 +/- 3.35   0.093% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.46 +/- 1.71   0.186% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  26.18 +/- 3.05   0.138% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.50 +/- 1.80   0.130% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.01, residual support = 24.1:
          HZ2   TRP   27 - QD1   LEU   31   2.62 +/- 0.33  97.573% * 99.8231% (0.87   2.01  24.08) =  99.996%  kept
          HZ    PHE   72 - QD1   LEU   31  10.83 +/- 2.12   2.427% *  0.1769% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.01 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 = 0.866, support = 0.847, residual support = 13.3:
          HD21  ASN   28 - QD1   LEU   31   4.77 +/- 0.86  49.060% * 57.4118% (0.92   0.90  19.56) =  65.083%  kept
          HZ2   TRP   87 - QD1   LEU   31  10.36 +/- 6.38  37.986% * 39.5967% (0.76   0.75   1.71) =  34.755%  kept
          HN    LEU   63 - QD1   LEU   31  13.42 +/- 2.27   3.348% *  1.0559% (0.76   0.02   0.27) =   0.082%
          QE    PHE   60 - QD1   LEU   31  11.93 +/- 3.28   5.382% *  0.2734% (0.20   0.02   0.02) =   0.034%
          HN    ALA   84 - QD1   LEU   31  14.28 +/- 5.16   2.697% *  0.3842% (0.28   0.02   0.02) =   0.024%
          HN    ILE   56 - QD1   LEU   31  18.93 +/- 2.47   0.738% *  0.8938% (0.65   0.02   0.02) =   0.015%
          HN    LYS+ 111 - QD1   LEU   31  19.23 +/- 2.93   0.789% *  0.3842% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.93 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.722, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  15.12 +/- 5.15  34.311% * 52.6698% (0.97   0.02   0.02) =  56.158%  kept
          HN    ASP- 105 - QD1   LEU   31  11.84 +/- 3.47  47.080% * 18.6164% (0.34   0.02   0.02) =  27.237%  kept
          HN    PHE   55 - QD1   LEU   31  20.26 +/- 2.66  18.610% * 28.7138% (0.53   0.02   0.02) =  16.605%  kept
    Distance limit 4.32 A violated in 20 structures by 6.18 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.69, residual support = 231.3:
          HN    LEU   31 - HG    LEU   31   2.53 +/- 0.45  96.894% * 99.1406% (0.67   7.69 231.33) =  99.993%  kept
          HN    LYS+  38 - HG    LEU   31  10.58 +/- 0.96   2.116% *  0.1997% (0.52   0.02   0.02) =   0.004%
          HN    ASP-  62 - HG    LEU   31  16.71 +/- 2.26   0.660% *  0.2768% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  23.68 +/- 2.95   0.179% *  0.3059% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  24.37 +/- 2.69   0.152% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.13, residual support = 231.3:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.02  92.882% * 99.3670% (0.34  10.0   7.13 231.33) =  99.979%  kept
          HN    LYS+  38 - HB3   LEU   31   9.26 +/- 0.85   5.923% *  0.2907% (1.00   1.0   0.02   0.02) =   0.019%
          HN    ASP-  62 - HB3   LEU   31  18.06 +/- 2.12   0.807% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB3   LEU   31  25.30 +/- 3.50   0.387% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 5.36, residual support = 40.0:
          HN    GLN   32 - HB3   LEU   31   3.84 +/- 0.20  65.697% * 75.6889% (0.76   5.92  44.53) =  86.782%  kept
          HN    ALA   34 - HB3   LEU   31   5.00 +/- 0.43  31.832% * 23.7800% (0.84   1.70  10.38) =  13.211%  kept
          HN    LEU   80 - HB3   LEU   31  19.08 +/- 4.84   0.941% *  0.2428% (0.73   0.02   0.02) =   0.004%
          HN    CYS   53 - HB3   LEU   31  24.49 +/- 3.82   0.672% *  0.1628% (0.49   0.02   0.02) =   0.002%
          HN    SER   85 - HB3   LEU   31  20.83 +/- 6.11   0.858% *  0.1255% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 19.5:
        T HA    ASN   28 - HB2   LEU   31   3.79 +/- 0.21  73.868% * 96.9907% (0.73 10.00   2.56  19.56) =  99.720%  kept
        T HA    ALA   34 - HB2   LEU   31   7.52 +/- 0.33   9.625% *  1.1979% (0.90 10.00   0.02  10.38) =   0.160%  kept
          HA    THR   26 - HB2   LEU   31   8.75 +/- 0.20   6.107% *  1.1882% (0.76  1.00   0.23   0.02) =   0.101%  kept
          HA1   GLY  101 - HB2   LEU   31  13.53 +/- 5.80   8.270% *  0.1324% (0.99  1.00   0.02   0.02) =   0.015%
        T HA    ALA  124 - HB2   LEU   31  26.30 +/- 7.21   0.730% *  0.2061% (0.15 10.00   0.02   0.02) =   0.002%
          HA    LEU  115 - HB2   LEU   31  22.98 +/- 2.57   0.372% *  0.1021% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  25.90 +/- 2.78   0.263% *  0.1324% (0.99  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  25.59 +/- 3.14   0.318% *  0.0297% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.85 +/- 3.09   0.448% *  0.0206% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.13, residual support = 231.3:
      O   HN    LEU   31 - HB2   LEU   31   2.59 +/- 0.16  97.755% * 99.3670% (0.34  10.0   7.13 231.33) =  99.994%  kept
          HN    LYS+  38 - HB2   LEU   31  10.08 +/- 0.71   1.787% *  0.2907% (1.00   1.0   0.02   0.02) =   0.005%
          HN    ARG+  54 - HB2   LEU   31  25.87 +/- 3.36   0.161% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  18.85 +/- 2.11   0.297% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.768, support = 5.71, residual support = 42.7:
          HN    GLN   32 - HB2   LEU   31   2.70 +/- 0.24  85.940% * 71.6913% (0.76   5.92  44.53) =  94.500%  kept
          HN    ALA   34 - HB2   LEU   31   5.22 +/- 0.25  12.889% * 27.8058% (0.84   2.10  10.38) =   5.497%  kept
          HN    LEU   80 - HB2   LEU   31  19.03 +/- 5.23   0.499% *  0.2300% (0.73   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   LEU   31  20.90 +/- 6.48   0.419% *  0.1189% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  25.04 +/- 3.64   0.253% *  0.1541% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.13, residual support = 231.3:
      O   HN    LEU   31 - HA    LEU   31   2.79 +/- 0.05  95.028% * 99.3670% (0.34  10.0   7.13 231.33) =  99.986%  kept
          HN    LYS+  38 - HA    LEU   31   7.97 +/- 0.60   4.328% *  0.2907% (1.00   1.0   0.02   0.02) =   0.013%
          HN    ASP-  62 - HA    LEU   31  17.18 +/- 1.88   0.468% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  24.79 +/- 3.10   0.177% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.777, support = 5.35, residual support = 38.3:
      O   HN    GLN   32 - HA    LEU   31   3.60 +/- 0.04  39.914% * 86.6808% (0.76  10.0   5.92  44.53) =  81.679%  kept
          HN    ALA   34 - HA    LEU   31   3.15 +/- 0.30  59.059% * 13.1391% (0.84   1.0   2.77  10.38) =  18.320%  kept
          HN    LEU   80 - HA    LEU   31  19.01 +/- 4.63   0.469% *  0.0824% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  21.44 +/- 5.36   0.338% *  0.0426% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.07 +/- 3.37   0.220% *  0.0552% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.494, support = 1.07, residual support = 1.76:
          QD1   LEU   73 - HA    LEU   31   6.46 +/- 2.59  45.910% * 60.8940% (0.49   1.19   2.12) =  80.436%  kept
          QD1   LEU   63 - HA    LEU   31  12.81 +/- 3.33  19.711% * 31.3517% (0.49   0.61   0.27) =  17.780%  kept
          QD1   LEU  104 - HA    LEU   31  11.63 +/- 2.83  15.642% *  2.0814% (0.99   0.02   0.02) =   0.937%  kept
          QG1   VAL   83 - HA    LEU   31  14.13 +/- 5.48   7.847% *  1.6816% (0.80   0.02   0.02) =   0.380%  kept
          QD2   LEU   80 - HA    LEU   31  14.74 +/- 6.11   6.352% *  1.8216% (0.87   0.02   0.02) =   0.333%  kept
          QD2   LEU  115 - HA    LEU   31  18.10 +/- 1.56   2.082% *  1.7541% (0.84   0.02   0.02) =   0.105%  kept
          QG2   ILE   89 - HA    LEU   31  16.25 +/- 3.10   2.457% *  0.4156% (0.20   0.02   0.02) =   0.029%
    Distance limit 3.87 A violated in 12 structures by 1.65 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.57, residual support = 16.5:
          HD1   TRP   87 - QG2   VAL   83   2.48 +/- 0.47  88.220% * 74.3927% (0.53   3.62  16.54) =  98.257%  kept
          HE3   TRP   87 - QG2   VAL   83   6.45 +/- 0.44   5.496% * 19.3324% (0.45   1.10  16.54) =   1.591%  kept
          HN    TRP   27 - QG2   VAL   83  12.13 +/- 4.81   1.670% *  4.4259% (1.00   0.11   0.18) =   0.111%  kept
          HN    ALA   91 - QG2   VAL   83   8.45 +/- 0.71   3.030% *  0.6534% (0.84   0.02   0.02) =   0.030%
          HN    ALA   61 - QG2   VAL   83  14.25 +/- 2.52   1.012% *  0.5978% (0.76   0.02   0.02) =   0.009%
          HN    THR   39 - QG2   VAL   83  18.00 +/- 3.40   0.310% *  0.4429% (0.57   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   VAL   83  19.29 +/- 4.19   0.262% *  0.1548% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  12.18 +/- 2.36 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.21 A violated in 20 structures by 8.97 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.0564:
          HE21  GLN   30 - QG2   VAL   42   9.49 +/- 1.37  29.474% * 30.1124% (0.67   0.02   0.02) =  37.409%  kept
          QD    PHE   59 - QG2   VAL   42   8.68 +/- 2.61  39.733% * 17.5479% (0.39   0.02   0.02) =  29.388%  kept
          HH2   TRP   49 - QG2   VAL   42  15.68 +/- 3.59  14.346% * 34.7918% (0.77   0.02   0.02) =  21.038%  kept
          HD1   TRP   27 - QG2   VAL   42  11.85 +/- 2.15  16.446% * 17.5479% (0.39   0.02   0.32) =  12.164%  kept
    Distance limit 3.40 A violated in 19 structures by 3.61 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.751, support = 0.287, residual support = 1.47:
          QD2   LEU   40 - QG2   VAL   42   3.22 +/- 1.31  35.928% * 47.8938% (0.79  1.00   0.33   1.75) =  83.433%  kept
        T HB    VAL   75 - QG2   VAL   42   7.33 +/- 1.77  13.253% * 14.1012% (0.39 10.00   0.02   0.02) =   9.062%  kept
          QD1   LEU   67 - QG2   VAL   42   5.74 +/- 2.15  19.442% *  2.8906% (0.80  1.00   0.02   0.02) =   2.725%  kept
          HG3   LYS+  74 - QG2   VAL   42  10.17 +/- 1.77   1.874% * 29.1008% (0.76  1.00   0.21   0.02) =   2.644%  kept
          QG2   ILE  103 - QG2   VAL   42   6.52 +/- 1.37   7.726% *  2.8714% (0.79  1.00   0.02   0.02) =   1.076%  kept
          QD2   LEU   71 - QG2   VAL   42   6.85 +/- 1.22   6.324% *  1.4101% (0.39  1.00   0.02   1.27) =   0.432%  kept
          QD1   ILE  103 - QG2   VAL   42   7.35 +/- 1.39   6.798% *  1.0873% (0.30  1.00   0.02   0.02) =   0.358%  kept
          QG2   ILE  119 - QG2   VAL   42   9.71 +/- 3.45   8.655% *  0.6450% (0.18  1.00   0.02   0.02) =   0.271%  kept
    Distance limit 3.11 A violated in 2 structures by 0.30 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.975, support = 4.17, residual support = 23.7:
        T HZ2   TRP   27 - QD2   LEU   31   3.28 +/- 0.54  64.275% * 96.8798% (0.99 10.00   4.23  24.08) =  98.241%  kept
        T HZ2   TRP   27 - QG2   VAL   43   6.41 +/- 4.09  35.725% *  3.1202% (0.07 10.00   0.95   3.58) =   1.759%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.2, residual support = 51.5:
          HE22  GLN   30 - QD2   LEU   31   4.34 +/- 0.29  67.705% * 99.1212% (0.90   3.20  51.48) =  99.943%  kept
          HN    TRP   49 - QD2   LEU   31  18.27 +/- 3.90   5.716% *  0.3365% (0.49   0.02   0.02) =   0.029%
          HD22  ASN   69 - QD2   LEU   31  14.67 +/- 2.41   2.248% *  0.4473% (0.65   0.02   0.02) =   0.015%
          HE22  GLN   30 - QG2   VAL   43   8.64 +/- 2.64  17.403% *  0.0420% (0.06   0.02   0.02) =   0.011%
          HN    TRP   49 - QG2   VAL   43  12.98 +/- 1.93   4.173% *  0.0228% (0.03   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG2   VAL   43  13.37 +/- 1.35   2.755% *  0.0303% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.7:
      O T HA    VAL   43 - QG2   VAL   43   2.26 +/- 0.30  91.494% * 99.3737% (0.50  10.0 10.00   3.00  60.75) =  99.983%  kept
        T HA    VAL   43 - QD2   LEU   31   8.15 +/- 2.68   4.185% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.013%
          HA    HIS   22 - QG2   VAL   43  10.51 +/- 2.83   1.675% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG2   VAL   43  12.72 +/- 1.53   0.701% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.76 +/- 0.57   1.341% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  13.76 +/- 2.12   0.603% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.183, support = 3.19, residual support = 21.8:
        T HZ3   TRP   27 - QD2   LEU   31   2.84 +/- 0.45  69.814% * 77.3644% (0.14 10.00   3.38  24.08) =  88.770%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.92 +/- 3.36  30.186% * 22.6356% (0.50  1.00   1.68   3.58) =  11.230%  kept
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.885, support = 4.32, residual support = 42.9:
          HN    GLN   32 - QG    GLN   32   3.73 +/- 0.34  74.236% * 84.6026% (0.92   4.39  45.30) =  94.594%  kept
          HN    ALA   34 - QG    GLN   32   5.57 +/- 0.28  24.140% * 14.8566% (0.22   3.19   0.67) =   5.402%  kept
          HN    SER   85 - QG    GLN   32  23.21 +/- 5.76   0.584% *  0.4032% (0.97   0.02   0.02) =   0.004%
          HN    LEU   80 - QG    GLN   32  21.64 +/- 4.73   0.615% *  0.0645% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.93 +/- 1.95   0.425% *  0.0732% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.42, residual support = 45.1:
      O   HN    GLN   32 - QB    GLN   32   2.11 +/- 0.07  91.051% * 95.9837% (0.92  10.0   4.43  45.30) =  99.624%  kept
          HN    ALA   34 - QB    GLN   32   4.69 +/- 0.20   8.501% *  3.8817% (0.22   1.0   3.35   0.67) =   0.376%  kept
          HN    SER   85 - QB    GLN   32  21.93 +/- 5.88   0.153% *  0.1003% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  20.00 +/- 4.97   0.185% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.63 +/- 2.06   0.110% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.263, support = 6.27, residual support = 55.0:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  26.064% * 69.1055% (0.36  10.0   6.43  26.36) =  56.146%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.77 +/- 0.03  52.371% * 26.6370% (0.14  10.0   6.12  92.44) =  43.485%  kept
          HN    GLN   30 - HA    GLN   32   6.85 +/- 0.15   3.490% *  2.9365% (0.55   1.0   0.55   1.75) =   0.319%  kept
          HN    GLU-  14 - HA    LYS+  33  12.95 +/- 3.31   3.613% *  0.1260% (0.65   1.0   0.02   0.02) =   0.014%
          HN    GLU-  14 - HA    GLU-  29  15.33 +/- 4.25   4.237% *  0.0797% (0.41   1.0   0.02   0.02) =   0.011%
          HN    GLN   30 - HA    LYS+  33   7.47 +/- 0.47   2.777% *  0.1093% (0.57   1.0   0.02   0.30) =   0.009%
          HN    GLU-  14 - HA    GLN   32  15.60 +/- 4.09   0.843% *  0.1224% (0.63   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    GLN   32   7.68 +/- 0.30   2.498% *  0.0409% (0.21   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    LYS+  33   8.95 +/- 0.65   1.634% *  0.0421% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  14.30 +/- 4.00   0.712% *  0.0963% (0.50   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  15.92 +/- 3.03   0.369% *  0.0991% (0.51   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  16.75 +/- 3.45   0.335% *  0.0627% (0.32   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  22.45 +/- 6.79   0.186% *  0.1062% (0.55   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  23.00 +/- 6.62   0.178% *  0.1093% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  23.30 +/- 6.84   0.184% *  0.0963% (0.50   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.93 +/- 6.90   0.227% *  0.0627% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  23.35 +/- 6.12   0.178% *  0.0691% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  25.49 +/- 5.71   0.103% *  0.0991% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.45, residual support = 43.7:
      O   HN    GLN   32 - HA    GLN   32   2.75 +/- 0.05  58.454% * 78.5352% (0.39  10.0   4.49  45.30) =  95.382%  kept
          HN    GLN   32 - HA    LYS+  33   5.24 +/- 0.14   8.579% * 19.0308% (0.40   1.0   4.71  15.28) =   3.392%  kept
          HN    GLN   32 - HA    GLU-  29   3.40 +/- 0.22  31.802% *  1.8526% (0.25   1.0   0.72   0.02) =   1.224%  kept
          HN    SER   85 - HA    GLN   32  24.58 +/- 6.26   0.144% *  0.1281% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  22.97 +/- 6.56   0.191% *  0.0833% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  26.58 +/- 5.11   0.090% *  0.1318% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.58 +/- 2.34   0.117% *  0.0675% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.79 +/- 1.53   0.094% *  0.0695% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.98 +/- 2.45   0.129% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  22.83 +/- 2.95   0.118% *  0.0214% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  20.50 +/- 3.62   0.181% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  23.65 +/- 2.58   0.102% *  0.0220% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.626, support = 5.94, residual support = 139.9:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.02  54.283% * 79.1008% (0.69  10.0   6.14 156.63) =  88.162%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.56 +/- 0.03  28.132% * 20.3425% (0.18  10.0   4.44  15.28) =  11.750%  kept
          HN    LYS+  33 - HA    GLU-  29   4.65 +/- 0.67  15.143% *  0.2746% (0.19   1.0   0.25   0.02) =   0.085%
          HN    CYS   21 - HA    LYS+  33  14.23 +/- 1.66   0.507% *  0.1033% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.87 +/- 1.21   0.824% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.66 +/- 1.29   0.434% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.34 +/- 4.06   0.098% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  25.75 +/- 3.82   0.088% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  25.95 +/- 3.83   0.105% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.40 +/- 3.94   0.101% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  22.82 +/- 4.74   0.147% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  23.67 +/- 4.93   0.135% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.637, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  15.89 +/- 2.69  13.427% * 37.1179% (0.92   0.02   0.02) =  38.136%  kept
          HE3   TRP   27 - QB    LYS+  33   8.26 +/- 0.65  70.260% *  5.4417% (0.14   0.02   0.02) =  29.257%  kept
          HN    LYS+  81 - QB    LYS+  33  21.94 +/- 4.89   6.175% * 39.4132% (0.98   0.02   0.02) =  18.622%  kept
          HN    LYS+  66 - QB    LYS+  33  16.52 +/- 2.23  10.138% * 18.0271% (0.45   0.02   0.02) =  13.985%  kept
    Distance limit 3.74 A violated in 20 structures by 4.44 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.12, residual support = 156.6:
      O   HN    LYS+  33 - QB    LYS+  33   2.37 +/- 0.21  98.455% * 99.9232% (0.97  10.0   6.12 156.63) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  10.94 +/- 1.57   1.285% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  22.88 +/- 3.82   0.260% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 37.9:
          HN    ALA   34 - QB    LYS+  33   3.29 +/- 0.40  71.658% * 67.5050% (0.92   5.93  42.05) =  84.688%  kept
          HN    GLN   32 - QB    LYS+  33   4.72 +/- 0.33  27.266% * 32.0710% (0.65   4.02  15.28) =  15.309%  kept
          HN    LEU   80 - QB    LYS+  33  19.88 +/- 4.28   0.533% *  0.2059% (0.84   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    LYS+  33  24.64 +/- 2.55   0.218% *  0.1495% (0.61   0.02   0.02) =   0.001%
          HN    SER   85 - QB    LYS+  33  22.78 +/- 4.41   0.325% *  0.0686% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.519, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33   9.39 +/- 2.43  63.985% *  8.4971% (0.20   0.02   0.02) =  34.428%  kept
          HN    ILE  103 - QB    LYS+  33  16.72 +/- 3.12  19.134% * 24.3087% (0.57   0.02   0.02) =  29.453%  kept
          HN    SER   82 - QB    LYS+  33  21.98 +/- 5.44  10.516% * 34.3809% (0.80   0.02   0.02) =  22.895%  kept
          HN    GLN   90 - QB    LYS+  33  23.51 +/- 2.39   6.365% * 32.8133% (0.76   0.02   0.02) =  13.225%  kept
    Distance limit 3.94 A violated in 20 structures by 5.19 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.514, support = 5.57, residual support = 152.3:
      O   HA    LYS+  33 - HG2   LYS+  33   3.92 +/- 0.44  37.497% * 94.0771% (0.53  10.0   5.64 156.63) =  96.976%  kept
          HB2   SER   82 - QG    LYS+  81   5.22 +/- 1.69  25.109% *  4.1611% (0.13   1.0   3.50  13.18) =   2.872%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.47 +/- 0.98  10.685% *  0.2639% (0.38   1.0   0.08   0.02) =   0.078%
          HB2   SER   37 - HG2   LYS+  33   7.43 +/- 1.88   9.652% *  0.1494% (0.84   1.0   0.02   0.02) =   0.040%
          HA    VAL   18 - HG2   LYS+  33  10.29 +/- 2.12   5.134% *  0.0610% (0.34   1.0   0.02   0.02) =   0.009%
          HA1   GLY   16 - HG2   LYS+  33  11.38 +/- 2.72   3.549% *  0.0870% (0.49   1.0   0.02   0.02) =   0.008%
          HA    VAL   70 - HG2   LYS+  33  13.00 +/- 2.60   1.352% *  0.1494% (0.84   1.0   0.02   0.02) =   0.006%
          HA    GLN  116 - HG2   LYS+ 106  15.13 +/- 3.85   1.139% *  0.0906% (0.51   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HG2   LYS+ 106  17.00 +/- 3.84   0.838% *  0.0906% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HG2   LYS+  33  25.47 +/- 3.30   0.260% *  0.1494% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  21.26 +/- 2.97   0.322% *  0.0906% (0.51   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+ 106  21.75 +/- 5.62   0.436% *  0.0528% (0.30   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  21.76 +/- 3.14   0.316% *  0.0715% (0.40   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  24.06 +/- 7.29   0.446% *  0.0497% (0.28   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+ 106  18.82 +/- 4.03   0.490% *  0.0370% (0.21   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.08 +/- 1.86   0.252% *  0.0715% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  21.62 +/- 5.87   0.495% *  0.0321% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  19.94 +/- 3.86   0.488% *  0.0302% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.87 +/- 2.88   0.251% *  0.0571% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  20.06 +/- 5.05   0.417% *  0.0292% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.44 +/- 2.37   0.169% *  0.0715% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  22.13 +/- 3.24   0.286% *  0.0407% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  24.99 +/- 4.48   0.229% *  0.0450% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.90 +/- 5.04   0.189% *  0.0417% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 125.3:
        T QD1   ILE   56 - QG2   ILE   56   2.48 +/- 0.64  87.723% * 99.6085% (0.98 10.00   5.18 125.29) =  99.993%  kept
        T QG1   VAL   41 - QG2   ILE   56  14.89 +/- 2.86   1.577% *  0.1568% (0.15 10.00   0.02   0.02) =   0.003%
          QD2   LEU   73 - QG2   ILE   56  12.24 +/- 1.96   1.487% *  0.0814% (0.80  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QG2   ILE   56   8.24 +/- 2.82   7.640% *  0.0138% (0.14  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  12.12 +/- 1.93   1.121% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG2   ILE   56  18.34 +/- 2.45   0.452% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.981, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   4.32 +/- 1.51  77.853% * 49.9558% (0.99 10.00   0.02   0.02) =  95.606%  kept
        T HA    ILE   19 - QG2   ILE   56  16.49 +/- 2.26   3.549% * 42.0992% (0.84 10.00   0.02   0.02) =   3.673%  kept
          HA    GLU- 114 - QG2   ILE   56   9.73 +/- 1.60  14.004% *  1.2568% (0.25  1.00   0.02   0.02) =   0.433%  kept
          HA    GLU-  25 - QG2   ILE   56  21.13 +/- 2.94   1.863% *  3.0570% (0.61  1.00   0.02   0.02) =   0.140%  kept
          HA    THR   26 - QG2   ILE   56  20.88 +/- 2.85   1.883% *  2.8535% (0.57  1.00   0.02   0.02) =   0.132%  kept
          HA1   GLY  101 - QG2   ILE   56  22.96 +/- 3.12   0.848% *  0.7777% (0.15  1.00   0.02   0.02) =   0.016%
    Distance limit 3.19 A violated in 10 structures by 1.36 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.911, support = 4.08, residual support = 21.1:
          HA    PHE   55 - QG2   ILE   56   4.68 +/- 0.52  50.923% * 91.6641% (0.92   4.23  21.98) =  95.819%  kept
          HA    ALA  110 - QG2   ILE   56   9.72 +/- 4.45  27.444% *  7.2752% (0.65   0.48   0.41) =   4.099%  kept
          HA    VAL   42 - QG2   ILE   56  13.85 +/- 3.24   5.024% *  0.3755% (0.80   0.02   0.02) =   0.039%
          HA    THR   46 - QG2   ILE   56   9.07 +/- 2.87  12.813% *  0.0928% (0.20   0.02   0.02) =   0.024%
          HA    GLN   90 - QG2   ILE   56  14.97 +/- 3.28   1.980% *  0.3584% (0.76   0.02   0.02) =   0.015%
          HA    GLN   17 - QG2   ILE   56  16.70 +/- 2.52   1.266% *  0.1169% (0.25   0.02   0.02) =   0.003%
          HA    SER   37 - QG2   ILE   56  23.13 +/- 2.97   0.550% *  0.1169% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.86 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.74 +/- 1.61 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.02 A violated in 20 structures by 7.72 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 5.33, residual support = 32.5:
          HN    ALA   57 - QG2   ILE   56   3.32 +/- 0.80  72.599% * 99.1189% (0.92   5.34  32.58) =  99.884%  kept
          HE21  GLN  116 - QG2   ILE   56   8.18 +/- 2.43  18.458% *  0.3491% (0.87   0.02   0.02) =   0.089%
          HN    ALA  120 - QG2   ILE   56   8.64 +/- 1.76   8.003% *  0.1959% (0.49   0.02   0.02) =   0.022%
          HE21  GLN   90 - QG2   ILE   56  17.44 +/- 4.07   0.940% *  0.3361% (0.84   0.02   0.02) =   0.004%
    Distance limit 3.51 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.644, support = 6.68, residual support = 124.6:
          HN    ILE   56 - QG2   ILE   56   2.91 +/- 0.66  74.798% * 95.4207% (0.65   6.72 125.29) =  99.401%  kept
          QE    PHE   60 - QG2   ILE   56   7.52 +/- 1.88  12.399% *  3.2586% (0.20   0.75   4.15) =   0.563%  kept
          HN    LEU   63 - QG2   ILE   56   8.23 +/- 1.33   3.943% *  0.3356% (0.76   0.02   0.02) =   0.018%
          HN    LYS+ 111 - QG2   ILE   56   9.50 +/- 3.21   7.554% *  0.1221% (0.28   0.02   0.02) =   0.013%
          HD21  ASN   28 - QG2   ILE   56  19.18 +/- 2.82   0.429% *  0.4053% (0.92   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QG2   ILE   56  17.83 +/- 2.19   0.410% *  0.3356% (0.76   0.02   0.02) =   0.002%
          HN    ALA   84 - QG2   ILE   56  17.13 +/- 2.41   0.468% *  0.1221% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.785, support = 2.34, residual support = 4.38:
        T HB    THR   39 - QB    ALA   34   4.84 +/- 0.99  33.973% * 91.1584% (0.80 10.00   2.41   4.63) =  92.606%  kept
          HA    GLN   30 - QB    ALA   34   4.86 +/- 0.72  31.854% *  4.2918% (0.44  1.00   1.73   1.69) =   4.088%  kept
          HB3   SER   37 - QB    ALA   34   5.33 +/- 0.88  26.395% *  4.1661% (0.69  1.00   1.07   0.67) =   3.288%  kept
          QB    SER   13 - QB    ALA   34  11.50 +/- 2.77   3.833% *  0.0938% (0.83  1.00   0.02   0.02) =   0.011%
          HB3   SER   82 - QB    ALA   34  18.84 +/- 4.70   0.954% *  0.1007% (0.89  1.00   0.02   0.02) =   0.003%
          HD3   PRO   52 - QB    ALA   34  22.30 +/- 3.70   1.108% *  0.0575% (0.51  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  18.45 +/- 2.48   0.576% *  0.0777% (0.69  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - QB    ALA   34  17.49 +/- 3.05   0.759% *  0.0381% (0.34  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QB    ALA   34  19.07 +/- 2.35   0.549% *  0.0157% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 1.83, residual support = 10.4:
          HA    LEU   31 - QB    ALA   34   2.30 +/- 0.36 100.000% *100.0000% (0.65   1.83  10.38) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 2.94, residual support = 7.99:
        T QG1   VAL   41 - QB    ALA   34   3.26 +/- 2.32  56.646% * 88.3987% (0.75 10.00   2.99   7.86) =  94.663%  kept
          HG    LEU   31 - QB    ALA   34   4.51 +/- 0.73  26.727% * 10.4236% (0.83  1.00   2.13  10.38) =   5.267%  kept
        T QG2   VAL   18 - QB    ALA   34   8.99 +/- 1.59   6.346% *  0.4351% (0.37 10.00   0.02   0.02) =   0.052%
          QD2   LEU   73 - QB    ALA   34   5.81 +/- 1.34   7.135% *  0.0847% (0.72  1.00   0.02   0.02) =   0.011%
        T QD1   ILE   56 - QB    ALA   34  15.84 +/- 1.83   0.377% *  0.5568% (0.47 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - QB    ALA   34   8.13 +/- 1.92   2.235% *  0.0685% (0.58  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QB    ALA   34  13.20 +/- 1.24   0.534% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.47, residual support = 21.5:
          HN    ASN   35 - QB    ALA   34   3.01 +/- 0.06  95.607% * 98.6623% (0.62   3.47  21.48) =  99.976%  kept
          HN    ALA   12 - QB    ALA   34  14.97 +/- 3.81   2.056% *  0.8264% (0.89   0.02   0.02) =   0.018%
          HN    PHE   97 - QB    ALA   34  11.90 +/- 2.16   1.970% *  0.2556% (0.28   0.02   0.02) =   0.005%
          HN    LEU  115 - QB    ALA   34  19.68 +/- 1.36   0.366% *  0.2556% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.69, residual support = 25.1:
      O   HN    ALA   34 - QB    ALA   34   2.05 +/- 0.07  98.915% * 99.6936% (0.58  10.0   3.69  25.13) =  99.999%  kept
          HN    THR   26 - QB    ALA   34  10.82 +/- 0.53   0.704% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  16.99 +/- 2.94   0.230% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.38 +/- 2.75   0.152% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 3.5, residual support = 25.1:
      O   HN    ALA   34 - HA    ALA   34   2.75 +/- 0.02  90.576% * 99.6949% (0.87  10.0   3.50  25.13) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.73 +/- 0.21   6.235% *  0.0287% (0.25   1.0   0.02   0.67) =   0.002%
          HN    ALA   34 - HA    ALA  124  25.99 +/- 7.90   1.112% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA   34  21.77 +/- 3.49   0.231% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  21.95 +/- 5.82   0.725% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  25.67 +/- 3.22   0.147% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  29.09 +/- 5.34   0.255% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  27.37 +/- 7.65   0.718% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.854, support = 1.58, residual support = 3.14:
          HB    THR   39 - HA    ALA   34   4.93 +/- 1.43  32.641% * 60.8036% (0.88   1.97   4.63) =  61.341%  kept
          HB3   SER   37 - HA    ALA   34   4.14 +/- 1.09  39.704% * 28.1063% (0.89   0.89   0.67) =  34.490%  kept
          HA    GLN   30 - HA    ALA   34   6.16 +/- 0.90  16.569% *  7.9330% (0.16   1.44   1.69) =   4.063%  kept
          QB    SER   13 - HA    ALA   34  12.60 +/- 3.03   4.170% *  0.6077% (0.87   0.02   0.02) =   0.078%
          HB    THR  118 - HA    ALA   34  22.37 +/- 3.72   0.341% *  0.4812% (0.69   0.02   0.02) =   0.005%
          HB3   SER   82 - HA    ALA   34  24.18 +/- 5.49   0.333% *  0.4572% (0.65   0.02   0.02) =   0.005%
          HA    ILE   89 - HA    ALA   34  23.89 +/- 2.66   0.229% *  0.6283% (0.89   0.02   0.02) =   0.004%
          HB    THR  118 - HA    ALA  124  14.09 +/- 0.57   1.083% *  0.1105% (0.16   0.02   0.02) =   0.004%
          HA    GLN   30 - HA    ALA  124  26.93 +/- 7.30   2.559% *  0.0253% (0.04   0.02   0.02) =   0.002%
          HB3   SER   37 - HA    ALA  124  26.50 +/- 8.65   0.434% *  0.1442% (0.21   0.02   0.02) =   0.002%
          HD3   PRO   52 - HA    ALA   34  27.99 +/- 4.31   0.377% *  0.1402% (0.20   0.02   0.02) =   0.002%
          HB    THR   39 - HA    ALA  124  24.64 +/- 7.90   0.330% *  0.1417% (0.20   0.02   0.02) =   0.001%
          QB    SER   13 - HA    ALA  124  27.51 +/- 5.86   0.269% *  0.1395% (0.20   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA  124  24.49 +/- 6.65   0.689% *  0.0322% (0.05   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  27.59 +/- 3.72   0.152% *  0.1442% (0.21   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    ALA  124  32.98 +/- 5.32   0.119% *  0.1050% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.896, support = 4.02, residual support = 54.2:
      O T HA    ASN   35 - HB2   ASN   35   2.62 +/- 0.10  75.709% * 97.5620% (0.90  10.0 10.00   4.02  54.27) =  99.878%  kept
        T HA    GLU-  15 - HB2   ASN   35  14.12 +/- 3.64  15.345% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.101%  kept
        T HA    LEU   40 - HB2   ASN   35  10.40 +/- 0.95   1.306% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.012%
        T HA    ASN   35 - HB2   ASN   28  13.69 +/- 0.60   0.538% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   35  12.59 +/- 3.77   1.355% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   ASN   28  16.18 +/- 2.64   0.604% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   ASN   28  16.17 +/- 1.74   0.388% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   ASN   28  16.50 +/- 4.31   2.258% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  17.22 +/- 4.19   0.521% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  26.91 +/- 7.79   0.217% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  18.94 +/- 4.50   0.960% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.83 +/- 3.29   0.072% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  24.74 +/- 3.71   0.134% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  27.24 +/- 6.06   0.193% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.08 +/- 3.25   0.096% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  22.96 +/- 4.08   0.175% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  31.00 +/- 3.14   0.052% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  28.88 +/- 4.03   0.077% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.83, residual support = 54.3:
      O   HN    ASN   35 - HB2   ASN   35   3.15 +/- 0.46  79.369% * 99.6071% (0.57  10.0   5.83  54.27) =  99.992%  kept
          HN    LYS+  99 - HB2   ASN   35  14.20 +/- 4.30   1.682% *  0.0996% (0.57   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   ASN   28  17.56 +/- 4.28   7.450% *  0.0187% (0.11   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   ASN   35  15.95 +/- 4.01   1.561% *  0.0600% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   ASN   28  11.34 +/- 0.43   1.897% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  17.20 +/- 4.41   1.535% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   ASN   28  20.61 +/- 5.79   4.501% *  0.0096% (0.05   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   ASN   35  19.05 +/- 5.76   1.223% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  22.92 +/- 7.28   0.418% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.97 +/- 6.04   0.364% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 54.3:
      O   HD21  ASN   35 - HB2   ASN   35   2.88 +/- 0.45  94.283% * 99.7208% (1.00  10.0   3.56  54.27) =  99.998%  kept
          HD21  ASN   35 - HB2   ASN   28  12.05 +/- 1.00   1.881% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.29 +/- 1.45   1.520% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  19.98 +/- 2.03   0.327% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.85 +/- 4.78   0.275% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.75 +/- 5.28   0.522% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.06 +/- 2.49   0.346% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  19.58 +/- 3.22   0.540% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  30.91 +/- 3.66   0.092% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  24.80 +/- 5.49   0.215% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.823, support = 2.51, residual support = 6.73:
        T HA    GLN   32 - HB2   ASN   35   4.72 +/- 0.98  28.054% * 74.0291% (0.99 10.00   2.05   3.63) =  79.644%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.26 +/- 0.16  33.682% *  7.9253% (0.11 10.00   5.76  32.38) =  10.237%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.50 +/- 0.32  15.742% * 16.6286% (0.22 10.00   2.83   5.28) =  10.039%  kept
        T HA    GLN   32 - HB2   ASN   28   8.65 +/- 0.46   4.071% *  0.2303% (0.31 10.00   0.02   0.02) =   0.036%
        T HA    GLU-  29 - HB2   ASN   35   9.82 +/- 1.08   2.636% *  0.2548% (0.34 10.00   0.02   0.02) =   0.026%
        T HA    LYS+  33 - HB2   ASN   28  10.80 +/- 0.73   2.089% *  0.0517% (0.07 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   35  20.64 +/- 2.04   0.312% *  0.3349% (0.45 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   28  18.69 +/- 2.71   0.470% *  0.1042% (0.14 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HB2   ASN   28  18.26 +/- 9.46   4.639% *  0.0104% (0.14  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB2   ASN   28  22.43 +/- 5.18   1.557% *  0.0194% (0.26  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  15.75 +/- 2.36   1.006% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   ASN   35  15.88 +/- 2.85   1.002% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   ASN   35  30.97 +/- 4.56   0.220% *  0.0732% (0.98  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASN   35  28.25 +/- 4.04   0.192% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  28.08 +/- 4.88   0.139% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  22.08 +/- 5.93   0.400% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  19.11 +/- 6.81   1.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  14.37 +/- 1.84   0.971% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  26.99 +/- 7.12   0.242% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.02 +/- 4.30   0.314% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  25.72 +/- 5.26   0.209% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  18.75 +/- 2.93   0.625% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  27.34 +/- 6.03   0.216% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  27.00 +/- 5.02   0.209% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 4.95, residual support = 51.7:
          QB    GLU-  36 - HB3   ASN   35   4.22 +/- 0.18  73.140% * 97.6922% (0.99   4.96  51.80) =  99.714%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.19 +/- 0.84  16.768% *  1.0286% (0.18   0.30   0.02) =   0.241%  kept
          HB3   GLU-  29 - HB3   ASN   35   9.84 +/- 0.70   6.023% *  0.3669% (0.92   0.02   0.02) =   0.031%
          HG3   GLU-  29 - HB3   ASN   35  11.87 +/- 0.64   3.387% *  0.2250% (0.57   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HB3   ASN   35  24.42 +/- 3.33   0.455% *  0.3836% (0.97   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB3   ASN   35  30.04 +/- 3.23   0.228% *  0.3037% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.715, support = 5.46, residual support = 44.7:
          QB    GLU-  36 - HB2   ASN   35   5.07 +/- 0.37  22.890% * 65.4838% (0.99  1.00   5.41  51.80) =  64.220%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.18 +/- 0.40  39.992% * 12.2711% (0.18  1.00   5.71  32.38) =  21.025%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.57 +/- 0.22  17.307% * 19.1730% (0.29  1.00   5.47  32.38) =  14.216%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.59 +/- 0.79  11.919% *  0.8850% (0.18  1.00   0.41   0.02) =   0.452%  kept
        T HB3   GLU-  79 - HB2   ASN   28  17.10 +/- 5.50   1.227% *  0.7327% (0.30 10.00   0.02   0.02) =   0.039%
          HB3   GLU-  29 - HB2   ASN   35  11.08 +/- 1.03   2.429% *  0.2253% (0.92  1.00   0.02   0.02) =   0.023%
          HG3   GLU-  29 - HB2   ASN   35  13.03 +/- 0.99   1.427% *  0.1382% (0.57  1.00   0.02   0.02) =   0.008%
        T HB2   GLN   90 - HB2   ASN   28  23.88 +/- 5.15   0.312% *  0.5802% (0.24 10.00   0.02   0.02) =   0.008%
          QB    GLU-  36 - HB2   ASN   28  12.50 +/- 0.75   1.548% *  0.0753% (0.31  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HB2   ASN   35  25.04 +/- 3.11   0.227% *  0.2355% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB2   ASN   35  30.34 +/- 3.20   0.116% *  0.1865% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  17.64 +/- 1.44   0.606% *  0.0133% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.729, support = 1.87, residual support = 4.52:
          HA    LYS+  33 - HB3   ASN   35   4.20 +/- 0.15  39.999% * 55.2292% (0.92  1.00   1.74   5.28) =  55.216%  kept
          HA    GLN   32 - HB3   ASN   35   3.81 +/- 0.50  51.440% * 34.5339% (0.49  1.00   2.06   3.63) =  44.402%  kept
        T HA    VAL   18 - HB3   ASN   35  15.20 +/- 1.98   1.619% *  6.8738% (1.00 10.00   0.02   0.02) =   0.278%  kept
          HA    GLU-  29 - HB3   ASN   35   8.70 +/- 0.60   4.351% *  0.6828% (0.99  1.00   0.02   0.02) =   0.074%
          HA    VAL   70 - HB3   ASN   35  14.61 +/- 2.34   1.533% *  0.4457% (0.65  1.00   0.02   0.02) =   0.017%
          HB2   SER   82 - HB3   ASN   35  26.44 +/- 7.12   0.309% *  0.6874% (1.00  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB3   ASN   35  27.82 +/- 4.11   0.210% *  0.5265% (0.76  1.00   0.02   0.02) =   0.003%
          HA    GLN  116 - HB3   ASN   35  27.46 +/- 2.83   0.160% *  0.4457% (0.65  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  27.81 +/- 4.56   0.167% *  0.3625% (0.53  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   ASN   35  30.67 +/- 4.51   0.212% *  0.2126% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.3:
      O   HA    ASN   35 - HB3   ASN   35   3.04 +/- 0.02  83.308% * 99.4336% (0.90  10.0   3.95  54.27) =  99.988%  kept
          HA    GLU-  15 - HB3   ASN   35  13.57 +/- 3.34  10.252% *  0.0497% (0.45   1.0   0.02   0.02) =   0.006%
          HA    LYS+  99 - HB3   ASN   35  12.75 +/- 3.38   2.020% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   ASN   35  10.58 +/- 0.99   2.150% *  0.0717% (0.65   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   ASN   35  16.61 +/- 4.04   1.508% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  27.04 +/- 7.61   0.343% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.70 +/- 3.00   0.119% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  24.60 +/- 3.52   0.213% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.03 +/- 2.80   0.088% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 54.3:
      O   HD21  ASN   35 - HB3   ASN   35   2.41 +/- 0.24  99.319% * 99.8105% (1.00  10.0   3.26  54.27) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.04 +/- 1.99   0.263% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.83 +/- 2.26   0.266% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  30.41 +/- 4.79   0.094% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  30.63 +/- 3.61   0.059% *  0.0249% (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 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 51.6:
          HN    GLU-  36 - HB3   ASN   35   2.84 +/- 0.14  91.801% * 92.6689% (0.97   5.91  51.80) =  99.532%  kept
          HN    THR   39 - HB3   ASN   35   7.20 +/- 0.51   5.937% *  6.6595% (0.90   0.46   0.02) =   0.463%  kept
          HN    LYS+ 102 - HB3   ASN   35  15.08 +/- 4.90   1.263% *  0.2714% (0.84   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB3   ASN   35  23.43 +/- 5.31   0.252% *  0.3000% (0.92   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   ASN   35  14.16 +/- 0.47   0.747% *  0.1003% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 54.3:
      O   HN    ASN   35 - HB3   ASN   35   2.30 +/- 0.15  98.693% * 99.9102% (0.97  10.0   5.87  54.27) =  99.999%  kept
          HN    ALA   12 - HB3   ASN   35  18.37 +/- 5.76   1.307% *  0.0898% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.17 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 = 54.3:
      O   HD22  ASN   35 - HB3   ASN   35   3.58 +/- 0.11 100.000% *100.0000% (0.99  10.0   3.26  54.27) = 100.000%  kept
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 6.01, residual support = 51.5:
          HN    GLU-  36 - HB2   ASN   35   3.72 +/- 0.19  78.450% * 95.0544% (0.92   6.05  51.80) =  99.364%  kept
          HN    THR   39 - HB2   ASN   35   7.21 +/- 0.64  11.217% *  4.0939% (0.53   0.46   0.02) =   0.612%  kept
          HN    LYS+ 102 - HB2   ASN   35  14.80 +/- 5.45   3.482% *  0.3398% (1.00   0.02   0.02) =   0.016%
          HN    GLU-  36 - HB2   ASN   28  12.94 +/- 0.56   1.966% *  0.0978% (0.29   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   28  18.41 +/- 5.23   1.454% *  0.1057% (0.31   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   ASN   28  17.77 +/- 5.93   1.741% *  0.0600% (0.18   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   35  23.75 +/- 5.65   0.536% *  0.1928% (0.57   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   ASN   28  15.42 +/- 0.85   1.154% *  0.0557% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.56, residual support = 86.3:
      O T HA    GLU-  36 - QB    GLU-  36   2.45 +/- 0.17  97.421% * 99.4140% (0.84  10.0 10.00   5.56  86.34) =  99.996%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.00 +/- 1.05   0.935% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  66 - QB    GLU-  36  19.40 +/- 2.24   0.254% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  25.84 +/- 7.96   0.354% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  25.86 +/- 3.69   0.103% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  21.30 +/- 3.38   0.314% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  23.75 +/- 6.08   0.181% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  29.76 +/- 7.41   0.253% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  27.10 +/- 2.85   0.088% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.97 +/- 3.87   0.097% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.7:
          HN    SER   37 - QB    GLU-  36   3.23 +/- 0.35  63.090% * 91.5201% (0.45   3.71  18.93) =  98.718%  kept
          HN    LYS+  33 - QB    GLU-  36   5.30 +/- 0.30  15.294% *  4.6630% (0.28   0.31   0.02) =   1.219%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.33 +/- 0.71  16.680% *  0.0947% (0.09   0.02   0.02) =   0.027%
          HN    CYS   21 - QB    GLU-  36  14.78 +/- 1.71   0.801% *  1.0608% (0.97   0.02   0.02) =   0.015%
          HN    CYS   21 - HB3   GLU-  29  11.28 +/- 1.48   1.779% *  0.3286% (0.30   0.02   0.02) =   0.010%
          HN    SER   37 - HB3   GLU-  29  11.36 +/- 1.06   1.648% *  0.1527% (0.14   0.02   0.02) =   0.004%
          HN    ILE  119 - QB    GLU-  36  24.77 +/- 3.68   0.189% *  0.9534% (0.87   0.02   0.02) =   0.003%
          HN    ILE   89 - QB    GLU-  36  24.90 +/- 3.14   0.164% *  0.7110% (0.65   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   GLU-  29  23.99 +/- 4.34   0.212% *  0.2203% (0.20   0.02   0.02) =   0.001%
          HN    ILE  119 - HB3   GLU-  29  26.74 +/- 4.04   0.143% *  0.2954% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 7.3, residual support = 86.2:
      O   HN    GLU-  36 - QB    GLU-  36   2.08 +/- 0.09  93.911% * 96.5006% (0.69  10.0   7.31  86.34) =  99.869%  kept
          HN    THR   39 - QB    GLU-  36   6.21 +/- 0.40   3.696% *  3.1952% (0.28   1.0   1.64   0.99) =   0.130%  kept
          HN    LYS+ 102 - QB    GLU-  36  15.83 +/- 3.65   0.330% *  0.1219% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.77 +/- 0.93   0.982% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.41 +/- 3.81   0.163% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  19.01 +/- 2.49   0.154% *  0.0350% (0.25   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.14 +/- 1.34   0.430% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  22.84 +/- 4.34   0.092% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  21.51 +/- 5.43   0.134% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.45 +/- 2.55   0.107% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.82, residual support = 86.3:
          HN    GLU-  36 - HG2   GLU-  36   3.63 +/- 0.35  96.832% * 98.3909% (0.28   4.82  86.34) =  99.976%  kept
          HN    LYS+ 102 - HG2   GLU-  36  18.15 +/- 4.43   2.385% *  0.6587% (0.45   0.02   0.02) =   0.016%
          HN    ASP- 105 - HG2   GLU-  36  22.05 +/- 3.31   0.782% *  0.9504% (0.65   0.02   0.02) =   0.008%
    Distance limit 4.41 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   3.82 +/- 0.49  76.891% * 90.6699% (0.69   4.82  86.34) =  98.693%  kept
          HN    THR   39 - HG3   GLU-  36   7.82 +/- 1.30  10.841% *  8.3858% (0.28   1.10   0.99) =   1.287%  kept
          HN    LYS+ 102 - HG3   GLU-  36  18.47 +/- 4.60   1.829% *  0.4753% (0.87   0.02   0.02) =   0.012%
          HN    GLU-  36 - QB    MET   11  15.77 +/- 5.10   4.252% *  0.0469% (0.09   0.02   0.02) =   0.003%
          HN    LYS+ 102 - QB    MET   11  25.92 +/- 6.86   1.824% *  0.0592% (0.11   0.02   0.02) =   0.002%
          HN    ASP- 105 - HG3   GLU-  36  22.28 +/- 3.34   0.618% *  0.1366% (0.25   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  26.66 +/- 4.83   0.319% *  0.1691% (0.31   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  16.68 +/- 4.57   2.691% *  0.0190% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - QB    MET   11  27.44 +/- 4.94   0.440% *  0.0170% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  29.36 +/- 6.12   0.294% *  0.0211% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 86.3:
      O   HN    GLU-  36 - HA    GLU-  36   2.80 +/- 0.04  99.076% * 99.6076% (0.28  10.0   6.05  86.34) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  17.10 +/- 4.51   0.666% *  0.1606% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP- 105 - HA    GLU-  36  21.20 +/- 2.66   0.258% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 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   3.09 +/- 0.29  98.493% * 99.7690% (0.98  10.0   3.80  29.74) =  99.999%  kept
          HN    CYS   21 - HB2   SER   37  15.20 +/- 2.01   0.989% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.99 +/- 4.15   0.305% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  25.57 +/- 3.14   0.213% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.52, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  11.45 +/- 1.50  19.837% * 12.9780% (0.47   0.02   0.02) =  22.643%  kept
          HN    GLU-  29 - HB3   SER   37  13.64 +/- 1.55  11.447% * 22.4691% (0.82   0.02   0.02) =  22.622%  kept
          HN    GLU-  29 - QB    SER   13  15.16 +/- 4.45  13.525% * 17.1942% (0.63   0.02   0.02) =  20.453%  kept
          HN    GLN   30 - QB    SER   13  13.88 +/- 3.75  13.630% *  9.9312% (0.36   0.02   0.02) =  11.906%  kept
          HN    VAL   18 - QB    SER   13  10.68 +/- 1.80  22.717% *  4.8772% (0.18   0.02   0.02) =   9.745%  kept
          HN    VAL   18 - HB3   SER   37  13.20 +/- 1.88  15.436% *  6.3735% (0.23   0.02   0.02) =   8.653%  kept
          HN    ASP-  86 - HB3   SER   37  26.74 +/- 4.48   1.881% * 14.8290% (0.54   0.02   0.02) =   2.454%  kept
          HN    ASP-  86 - QB    SER   13  28.17 +/- 5.31   1.527% * 11.3477% (0.41   0.02   0.02) =   1.524%  kept
    Distance limit 3.93 A violated in 19 structures by 4.61 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.63, residual support = 217.3:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  79.670% * 91.8702% (0.92  10.0   6.63 220.08) =  98.591%  kept
          HN    SER   37 - HA    LYS+  38   4.08 +/- 0.18  13.016% *  8.0342% (0.25   1.0   6.48  20.73) =   1.409%  kept
          HN    LYS+  38 - HA    GLU- 100  10.04 +/- 5.20   3.336% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.51 +/- 1.15   0.910% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  19.66 +/- 2.74   0.148% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  28.00 +/- 3.86   0.057% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100  11.14 +/- 4.79   1.816% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.86 +/- 4.03   0.870% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.80 +/- 3.94   0.069% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.38 +/- 2.81   0.108% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.44, residual support = 23.5:
      O   HN    THR   39 - HA    LYS+  38   3.02 +/- 0.14  62.728% * 92.2734% (0.92  10.0   6.51  23.85) =  98.549%  kept
          HN    GLU-  36 - HA    LYS+  38   5.41 +/- 0.25  11.330% *  7.4940% (0.95   1.0   1.59   2.50) =   1.446%  kept
          HN    LYS+ 102 - HA    LYS+  38  13.04 +/- 5.15   1.730% *  0.0800% (0.80   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    GLU- 100   5.43 +/- 0.56  12.137% *  0.0048% (0.05   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    GLU- 100   9.71 +/- 4.88   6.211% *  0.0056% (0.06   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100  11.66 +/- 4.61   3.555% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  22.78 +/- 4.56   0.195% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.27 +/- 1.34   0.452% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.46 +/- 4.50   1.362% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  19.43 +/- 4.14   0.299% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.23, residual support = 20.7:
          HN    SER   37 - HB2   LYS+  38   4.62 +/- 0.24  96.819% * 99.1997% (1.00   5.23  20.73) =  99.993%  kept
          HN    ILE  119 - HB2   LYS+  38  25.03 +/- 4.62   0.926% *  0.3041% (0.80   0.02   0.02) =   0.003%
          HN    CYS   21 - HB2   LYS+  38  18.77 +/- 1.64   1.701% *  0.1296% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   LYS+  38  27.14 +/- 3.44   0.554% *  0.3666% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 1 structures by 0.79 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 5.38, residual support = 20.8:
          HN    THR   39 - HB2   LYS+  38   4.37 +/- 0.17  69.172% * 69.8594% (0.45   6.06  23.85) =  85.805%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.21 +/- 0.60  27.145% * 29.3856% (0.87   1.32   2.50) =  14.164%  kept
          HN    LYS+ 102 - HB2   LYS+  38  14.83 +/- 5.29   3.221% *  0.5045% (0.98   0.02   0.02) =   0.029%
          HD1   TRP   87 - HB2   LYS+  38  25.12 +/- 4.54   0.462% *  0.2505% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.42 A violated in 0 structures by 0.84 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.752, support = 5.74, residual support = 197.1:
          HN    LYS+  38 - HG2   LYS+  38   3.40 +/- 0.32  65.693% * 71.6505% (0.80   5.85 220.08) =  88.490%  kept
          HN    SER   37 - HG2   LYS+  38   4.96 +/- 0.17  21.819% * 28.0321% (0.38   4.88  20.73) =  11.499%  kept
          HN    LYS+  38 - HG2   LYS+  99  11.13 +/- 4.63   5.018% *  0.0667% (0.22   0.02   0.02) =   0.006%
          HN    SER   37 - HG2   LYS+  99  12.30 +/- 4.39   6.445% *  0.0313% (0.10   0.02   0.02) =   0.004%
          HN    ARG+  54 - HG2   LYS+  38  29.63 +/- 4.30   0.164% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  26.54 +/- 3.44   0.166% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.05 +/- 4.21   0.373% *  0.0284% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.38 +/- 3.51   0.322% *  0.0186% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.74, support = 5.74, residual support = 191.6:
          HN    LYS+  38 - HG3   LYS+  38   4.31 +/- 0.11  60.729% * 69.6348% (0.80   5.80 220.08) =  85.721%  kept
          HN    SER   37 - HG3   LYS+  38   5.95 +/- 0.26  23.359% * 30.1416% (0.38   5.36  20.73) =  14.272%  kept
          HN    LYS+  38 - HG3   LYS+  99  11.58 +/- 4.47   6.822% *  0.0251% (0.08   0.02   0.02) =   0.003%
          HN    SER   37 - HG3   LYS+  99  12.78 +/- 4.30   7.135% *  0.0117% (0.04   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG3   LYS+  38  29.84 +/- 4.26   0.269% *  0.1023% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  38  26.90 +/- 3.47   0.279% *  0.0668% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.88 +/- 4.32   0.858% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.66 +/- 3.33   0.548% *  0.0070% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.81, residual support = 37.7:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.05  76.870% * 94.8213% (0.97  10.0   3.80  37.86) =  99.033%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.20  14.858% *  4.7568% (0.24   1.0   4.04  23.47) =   0.960%  kept
          HN    GLU-  36 - HA    THR   39   8.41 +/- 0.32   3.070% *  0.0881% (0.90   1.0   0.02   0.99) =   0.004%
          HN    LYS+ 102 - HA    THR   39  13.81 +/- 4.62   1.153% *  0.0713% (0.73   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ILE  103  14.20 +/- 4.01   1.029% *  0.0318% (0.32   1.0   0.02   0.39) =   0.000%
          HN    THR   39 - HA    ILE  103  14.47 +/- 3.42   0.862% *  0.0313% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  21.86 +/- 4.06   0.224% *  0.0963% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.57 +/- 1.46   0.445% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  17.01 +/- 3.40   0.524% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.83 +/- 3.57   0.516% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.95 +/- 1.86   0.339% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.66 +/- 1.32   0.111% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.32, residual support = 24.9:
      O   HN    LEU   40 - HA    THR   39   2.25 +/- 0.06  93.585% * 99.8247% (0.57  10.0   4.32  24.91) =  99.997%  kept
          HN    GLY  101 - HA    ILE  103   6.38 +/- 0.46   4.345% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    THR   39  11.96 +/- 4.74   1.310% *  0.1069% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HA    ILE  103  12.58 +/- 3.39   0.761% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 3.8, residual support = 37.9:
      O   HN    THR   39 - HB    THR   39   2.87 +/- 0.48  92.351% * 99.6727% (0.97  10.0   3.80  37.86) =  99.993%  kept
          HN    GLU-  36 - HB    THR   39   7.79 +/- 0.79   4.887% *  0.0926% (0.90   1.0   0.02   0.99) =   0.005%
          HN    LYS+ 102 - HB    THR   39  14.64 +/- 3.87   1.190% *  0.0750% (0.73   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    THR   39  15.25 +/- 1.89   1.052% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  21.52 +/- 4.02   0.351% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  25.51 +/- 1.48   0.168% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.21, residual support = 24.9:
          HN    LEU   40 - HB    THR   39   3.82 +/- 0.53  93.913% * 99.9152% (0.98   4.21  24.91) =  99.994%  kept
          HN    GLY  101 - HB    THR   39  12.71 +/- 3.95   6.087% *  0.0848% (0.18   0.02   0.02) =   0.006%
    Distance limit 3.92 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.581, support = 0.167, residual support = 0.158:
          HN    LEU   71 - QG2   THR   39   4.51 +/- 1.56  44.168% * 49.6654% (0.60   0.18   0.17) =  92.377%  kept
          HN    GLU- 114 - QB    ALA   91  11.57 +/- 3.36  11.540% *  3.7300% (0.40   0.02   0.02) =   1.813%  kept
          HN    GLU- 114 - QG2   THR   23  22.56 +/- 5.31   6.470% *  4.4325% (0.48   0.02   0.02) =   1.208%  kept
          HN    GLN  116 - QB    ALA   91  12.92 +/- 3.73   7.325% *  3.1785% (0.34   0.02   0.02) =   0.980%  kept
          HN    THR  118 - QG2   THR   23  21.17 +/- 4.91   7.468% *  2.5601% (0.28   0.02   0.02) =   0.805%  kept
          HN    GLN  116 - QG2   THR   23  21.37 +/- 5.06   3.001% *  3.7771% (0.41   0.02   0.02) =   0.477%  kept
          HN    PHE   60 - QG2   THR   39  15.44 +/- 2.29   3.295% *  2.7488% (0.30   0.02   0.02) =   0.381%  kept
          HN    THR  118 - QB    ALA   91  13.87 +/- 3.38   3.813% *  2.1544% (0.23   0.02   0.02) =   0.346%  kept
          HN    GLN  116 - QG2   THR   39  20.01 +/- 2.45   1.138% *  6.7311% (0.72   0.02   0.02) =   0.323%  kept
          HN    THR  118 - QG2   THR   39  18.90 +/- 3.25   1.636% *  4.5624% (0.49   0.02   0.02) =   0.314%  kept
          HN    GLU- 114 - QG2   THR   39  21.68 +/- 2.38   0.781% *  7.8990% (0.85   0.02   0.02) =   0.260%  kept
          HN    PHE   60 - QG2   THR   23  16.88 +/- 4.62   3.453% *  1.5425% (0.17   0.02   0.02) =   0.224%  kept
          HN    PHE   60 - QB    ALA   91  14.55 +/- 2.62   3.383% *  1.2981% (0.14   0.02   0.02) =   0.185%  kept
          HN    LEU   71 - QG2   THR   23  15.83 +/- 1.84   1.342% *  3.1062% (0.33   0.02   0.02) =   0.176%  kept
          HN    LEU   71 - QB    ALA   91  19.54 +/- 1.92   1.187% *  2.6140% (0.28   0.02   0.02) =   0.131%  kept
    Distance limit 3.47 A violated in 7 structures by 1.05 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 4.13, residual support = 24.9:
          HN    LEU   40 - QG2   THR   39   3.38 +/- 0.70  98.367% * 99.5019% (0.66   4.13  24.91) =  99.996%  kept
          HN    LEU   40 - QG2   THR   23  17.26 +/- 1.48   1.080% *  0.2705% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  20.97 +/- 1.11   0.552% *  0.2276% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.588, support = 3.11, residual support = 14.7:
      O   HN    ALA   91 - QB    ALA   91   2.31 +/- 0.19  48.474% * 88.4753% (0.61  10.0   3.07  12.82) =  92.194%  kept
          HN    THR   39 - QG2   THR   39   2.73 +/- 0.67  35.896% *  9.9470% (0.38   1.0   3.61  37.86) =   7.675%  kept
          HN    TRP   27 - QG2   THR   23   4.70 +/- 0.88   8.169% *  0.7074% (0.10   1.0   1.00   1.32) =   0.124%  kept
          HD1   TRP   87 - QB    ALA   91   9.50 +/- 1.04   0.797% *  0.1115% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   THR   39   6.61 +/- 1.04   2.250% *  0.0259% (0.18   1.0   0.02   0.99) =   0.001%
          HE3   TRP   87 - QB    ALA   91  10.93 +/- 1.38   0.605% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.88 +/- 1.63   0.322% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  19.01 +/- 2.98   0.132% *  0.1347% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  15.04 +/- 2.51   0.223% *  0.0767% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  12.42 +/- 3.92   0.827% *  0.0153% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.04 +/- 2.14   0.305% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  18.13 +/- 3.20   0.127% *  0.0526% (0.36   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.26 +/- 0.84   0.049% *  0.1168% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  15.30 +/- 3.84   0.261% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  17.49 +/- 4.55   0.177% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.36 +/- 1.55   0.070% *  0.0418% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.85 +/- 1.45   0.083% *  0.0325% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  15.81 +/- 3.94   0.305% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  25.36 +/- 1.40   0.040% *  0.0547% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.64 +/- 1.41   0.140% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  18.40 +/- 3.28   0.176% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.63 +/- 1.38   0.172% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  17.28 +/- 3.62   0.244% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.63 +/- 3.75   0.156% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 3.13, residual support = 9.25:
          HN    MET   92 - QB    ALA   91   3.12 +/- 0.28  69.084% * 96.6023% (0.87   3.14   9.26) =  99.877%  kept
          HN    THR   46 - QB    ALA   91   8.90 +/- 1.39   4.418% *  0.6963% (0.98   0.02   0.02) =   0.046%
          HN    LYS+ 112 - QB    ALA   91  10.80 +/- 3.40  12.667% *  0.2423% (0.34   0.02   0.02) =   0.046%
          HN    LYS+  74 - QG2   THR   39  10.52 +/- 1.38   2.552% *  0.2910% (0.41   0.02   0.02) =   0.011%
          HN    LYS+  74 - QB    ALA   91  15.47 +/- 1.40   0.683% *  0.6162% (0.87   0.02   0.02) =   0.006%
          HN    LYS+  74 - QG2   THR   23   9.43 +/- 2.48   3.718% *  0.0648% (0.09   0.02   0.02) =   0.004%
          HN    THR   46 - QG2   THR   39  16.33 +/- 1.47   0.553% *  0.3288% (0.46   0.02   0.02) =   0.003%
          HN    MET   11 - QG2   THR   39  16.10 +/- 3.89   0.855% *  0.1765% (0.25   0.02   0.02) =   0.002%
          HN    THR   46 - QG2   THR   23  13.63 +/- 2.75   1.524% *  0.0732% (0.10   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   39  21.76 +/- 1.66   0.242% *  0.2910% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  18.57 +/- 5.31   1.254% *  0.0393% (0.06   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   23  21.79 +/- 5.38   1.549% *  0.0255% (0.04   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   23  18.47 +/- 3.33   0.542% *  0.0648% (0.09   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  21.65 +/- 3.07   0.283% *  0.1144% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  32.38 +/- 4.29   0.077% *  0.3737% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.657, support = 5.11, residual support = 79.4:
          HA    LEU   40 - QD2   LEU   40   2.96 +/- 0.63  54.785% * 62.9432% (0.61   6.01 104.35) =  73.759%  kept
          HA    LYS+  99 - QD2   LEU   40   5.41 +/- 4.31  34.518% * 35.4762% (0.80   2.57   9.48) =  26.193%  kept
          HA    ASN   35 - QD2   LEU   40   9.29 +/- 0.90   2.114% *  0.3186% (0.92   0.02   0.02) =   0.014%
          HA    GLU-  15 - QD2   LEU   40  12.05 +/- 2.89   3.869% *  0.1419% (0.41   0.02   0.02) =   0.012%
          HA    LEU  123 - QD2   LEU   40  15.69 +/- 6.10   1.027% *  0.3421% (0.99   0.02   0.02) =   0.008%
          HA    PRO   58 - QD2   LEU   40  13.41 +/- 3.00   1.886% *  0.1548% (0.45   0.02   0.02) =   0.006%
          HA    ILE   56 - QD2   LEU   40  16.26 +/- 2.77   0.580% *  0.3265% (0.95   0.02   0.02) =   0.004%
          HA    SER   13 - QD2   LEU   40  16.39 +/- 2.84   0.827% *  0.1419% (0.41   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD2   LEU   40  17.22 +/- 2.17   0.395% *  0.1548% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.981, support = 4.49, residual support = 102.9:
          HA    LEU   40 - QD1   LEU   40   3.75 +/- 0.50  49.308% * 92.4387% (0.99   4.55 104.35) =  98.547%  kept
          HA    LYS+  99 - QD1   LEU   40   6.81 +/- 3.48  18.021% *  2.7547% (0.31   0.44   9.48) =   1.073%  kept
          HA    LEU  123 - QD1   LEU   40  14.79 +/- 6.01   3.756% *  2.9030% (0.61   0.23   0.02) =   0.236%  kept
          HA    GLU-  15 - QD1   LEU   40  11.19 +/- 2.55   6.336% *  0.3676% (0.90   0.02   0.02) =   0.050%
          HA    PRO   58 - QD1   LEU   40  12.29 +/- 2.90   3.833% *  0.3784% (0.92   0.02   0.02) =   0.031%
          HA    GLN   17 - QD1   LEU   40   9.20 +/- 2.96   8.753% *  0.1265% (0.31   0.02   0.02) =   0.024%
          HA    ASN   35 - QD1   LEU   40   9.76 +/- 0.72   3.196% *  0.1838% (0.45   0.02   0.02) =   0.013%
          HA    SER   37 - QD1   LEU   40  10.20 +/- 1.00   3.681% *  0.1265% (0.31   0.02   0.49) =   0.010%
          HA    SER   13 - QD1   LEU   40  15.53 +/- 2.80   0.896% *  0.3676% (0.90   0.02   0.02) =   0.007%
          HA    ILE   56 - QD1   LEU   40  15.36 +/- 2.76   1.147% *  0.1995% (0.49   0.02   0.02) =   0.005%
          HA    THR   46 - QD1   LEU   40  14.18 +/- 1.66   1.072% *  0.1538% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.83 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.543, support = 0.104, residual support = 0.02:
        T HB3   HIS  122 - QD1   LEU   40  12.25 +/- 6.20  23.996% * 56.8692% (0.69 10.00   0.02   0.02) =  56.430%  kept
          QE    LYS+ 121 - QD1   LEU   40  10.95 +/- 6.19  28.764% * 32.9786% (0.34  1.00   0.23   0.02) =  39.226%  kept
          HB3   ASP-  78 - QD1   LEU   40  18.22 +/- 2.39   6.478% *  7.4249% (0.90  1.00   0.02   0.02) =   1.989%  kept
          QE    LYS+  74 - QD1   LEU   40  10.15 +/- 1.37  28.217% *  1.4499% (0.18  1.00   0.02   0.02) =   1.692%  kept
          QB    CYS   50 - QD1   LEU   40  15.20 +/- 2.62  12.545% *  1.2774% (0.15  1.00   0.02   0.02) =   0.663%  kept
    Distance limit 3.83 A violated in 14 structures by 3.47 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.921, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   9.27 +/- 2.15  39.903% * 27.6510% (1.00   0.02   0.02) =  43.633%  kept
          QD    PHE   59 - QD1   LEU   40  10.45 +/- 2.62  34.253% * 23.0961% (0.84   0.02   0.02) =  31.285%  kept
          HH2   TRP   49 - QD1   LEU   40  17.88 +/- 4.45  12.198% * 26.1568% (0.95   0.02   0.02) =  12.618%  kept
          HD1   TRP   27 - QD1   LEU   40  13.44 +/- 2.59  13.646% * 23.0961% (0.84   0.02   0.02) =  12.464%  kept
    Distance limit 3.87 A violated in 18 structures by 3.92 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.92, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.71 +/- 1.99  39.025% * 27.6510% (1.00   0.02   0.02) =  42.701%  kept
          QD    PHE   59 - QD2   LEU   40  11.16 +/- 2.66  32.804% * 23.0961% (0.84   0.02   0.02) =  29.981%  kept
          HD1   TRP   27 - QD2   LEU   40  13.43 +/- 2.02  15.206% * 23.0961% (0.84   0.02   0.02) =  13.898%  kept
          HH2   TRP   49 - QD2   LEU   40  18.06 +/- 4.48  12.965% * 26.1568% (0.95   0.02   0.02) =  13.420%  kept
    Distance limit 3.68 A violated in 20 structures by 4.72 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.62, residual support = 20.8:
          HN    VAL   41 - QD2   LEU   40   3.01 +/- 0.80 100.000% *100.0000% (0.73   4.62  20.77) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.58, residual support = 9.16:
          HN    LEU   98 - QD2   LEU   40   5.00 +/- 3.52 100.000% *100.0000% (0.97   4.58   9.16) = 100.000%  kept
    Distance limit 3.63 A violated in 4 structures by 1.61 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.8, residual support = 104.3:
      O   HN    LEU   40 - HB3   LEU   40   2.84 +/- 0.52  94.926% * 99.9683% (0.98  10.0   4.80 104.35) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40  10.52 +/- 4.48   4.479% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  20.10 +/- 1.54   0.347% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  22.82 +/- 2.65   0.247% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.99, residual support = 104.3:
      O   HN    LEU   40 - HB2   LEU   40   2.46 +/- 0.47  96.853% * 99.9908% (0.76  10.0   4.99 104.35) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.88 +/- 2.78   3.147% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 36.3:
          QG2   VAL   70 - HB2   LEU   40   3.98 +/- 0.84  55.365% * 99.9538% (0.80   3.99  36.27) =  99.963%  kept
          QG2   VAL   70 - HB2   LEU   67   4.64 +/- 1.65  44.635% *  0.0462% (0.07   0.02   0.02) =   0.037%
    Distance limit 3.62 A violated in 3 structures by 0.46 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 36.3:
        T QG2   VAL   70 - HB3   LEU   40   4.66 +/- 0.87  93.500% * 99.8828% (0.98 10.00   3.99  36.27) =  99.992%  kept
        T QG2   VAL   70 - HB3   LEU  115  13.13 +/- 1.43   6.500% *  0.1172% (0.12 10.00   0.02   0.02) =   0.008%
    Distance limit 3.76 A violated in 5 structures by 0.99 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.224, support = 5.07, residual support = 95.4:
      O T HA    LEU   40 - HG    LEU   40   3.45 +/- 0.33  45.001% * 67.2459% (0.18  10.0 10.00   5.49 104.35) =  91.062%  kept
          HA    ASP- 113 - HG    LEU  115   6.19 +/- 1.56  13.267% * 10.2491% (0.53   1.0  1.00   1.00   0.02) =   4.092%  kept
          HA    LYS+  99 - HG    LEU   40   7.39 +/- 4.17  12.439% * 10.0966% (0.98   1.0  1.00   0.54   9.48) =   3.779%  kept
          HA    ILE   56 - HG    LEU  115   7.82 +/- 1.71   6.035% *  4.6520% (0.50   1.0  1.00   0.48   0.02) =   0.845%  kept
        T HA    ASN   35 - HG    LEU   40  11.03 +/- 0.88   1.465% *  3.4436% (0.90   1.0 10.00   0.02   0.02) =   0.152%  kept
          HA    PHE   59 - HG    LEU  115   7.45 +/- 1.15   6.137% *  0.0758% (0.20   1.0  1.00   0.02  29.78) =   0.014%
          HA    PHE   59 - HG    LEU   40  13.97 +/- 3.57   3.327% *  0.1310% (0.34   1.0  1.00   0.02   0.02) =   0.013%
        T HA    ASN   35 - HG    LEU  115  25.75 +/- 1.92   0.124% *  1.9937% (0.52   1.0 10.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HG    LEU   40  18.71 +/- 6.79   0.805% *  0.2934% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HG    LEU  115  13.50 +/- 1.48   0.935% *  0.1699% (0.44   1.0  1.00   0.02   0.02) =   0.005%
          HA    ILE   56 - HG    LEU   40  18.97 +/- 3.19   0.461% *  0.3331% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+  99 - HG    LEU   73  11.99 +/- 2.09   1.758% *  0.0702% (0.18   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LEU   40 - HG    LEU  115  19.61 +/- 2.41   0.313% *  0.3893% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASP- 113 - HG    LEU   40  20.86 +/- 2.44   0.243% *  0.3545% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HG    LEU   73  13.13 +/- 2.36   1.025% *  0.0642% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   59 - HG    LEU   73  14.84 +/- 3.10   2.625% *  0.0244% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  115  20.35 +/- 2.38   0.267% *  0.2179% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG    LEU   73  10.20 +/- 1.36   2.538% *  0.0125% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG    LEU   73  18.97 +/- 3.12   0.469% *  0.0621% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  21.41 +/- 4.90   0.469% *  0.0547% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG    LEU   73  22.01 +/- 4.43   0.296% *  0.0661% (0.17   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 0.965, support = 6.36, residual support = 35.6:
        T QG2   VAL   70 - HG    LEU   40   3.05 +/- 0.80  88.521% * 83.8767% (0.98 10.00   6.44  36.27) =  98.092%  kept
        T QG2   VAL   70 - HG    LEU   73   7.80 +/- 0.86   9.164% * 15.6376% (0.18 10.00   2.40   0.74) =   1.893%  kept
        T QG2   VAL   70 - HG    LEU  115  13.34 +/- 2.07   2.315% *  0.4856% (0.57 10.00   0.02   0.02) =   0.015%
    Distance limit 3.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.2, residual support = 36.3:
          QG2   VAL   70 - QD1   LEU   40   2.58 +/- 0.69 100.000% *100.0000% (0.80   4.20  36.27) = 100.000%  kept
    Distance limit 2.96 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.4, residual support = 36.3:
          QG2   VAL   70 - QD2   LEU   40   3.38 +/- 0.95 100.000% *100.0000% (0.53   4.40  36.27) = 100.000%  kept
    Distance limit 3.28 A violated in 1 structures by 0.46 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   9.52 +/- 2.26 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.66 A violated in 19 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.765, support = 4.87, residual support = 104.3:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  56.864% * 41.1734% (0.65  10.0 10.00   4.14 104.35) =  52.641%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.55 +/- 0.44  36.875% * 57.0804% (0.90  10.0  1.00   5.69 104.35) =  47.324%  kept
        T HG    LEU   73 - QD2   LEU   40   8.77 +/- 2.08   1.444% *  0.7632% (0.20   1.0 10.00   0.12   0.02) =   0.025%
        T HG    LEU  115 - QD2   LEU   40  14.25 +/- 1.93   0.233% *  0.6351% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  74 - QD2   LEU   40  11.21 +/- 2.48   0.767% *  0.1770% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QD2   LEU   40   8.13 +/- 2.46   2.394% *  0.0486% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD2   LEU   40  12.95 +/- 4.11   0.518% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD2   LEU   40  11.24 +/- 4.23   0.680% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.96 +/- 1.67   0.225% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.26, support = 2.18, residual support = 9.44:
        T HB2   LYS+  99 - QD2   LEU   40   5.57 +/- 4.94  40.009% * 56.5147% (0.28 10.00   2.33   9.48) =  67.335%  kept
        T HB3   LYS+  99 - QD2   LEU   40   6.06 +/- 4.44  25.459% * 42.5295% (0.22 10.00   1.88   9.48) =  32.244%  kept
          HB    VAL   43 - QD2   LEU   40   8.29 +/- 0.77  17.896% *  0.7385% (0.38  1.00   0.19   0.02) =   0.394%  kept
          HB    ILE   89 - QD2   LEU   40  15.05 +/- 2.47   3.735% *  0.1233% (0.61  1.00   0.02   0.02) =   0.014%
          QG1   ILE   56 - QD2   LEU   40  12.87 +/- 2.93  11.282% *  0.0314% (0.15  1.00   0.02   0.02) =   0.011%
          QD    LYS+  81 - QD2   LEU   40  19.23 +/- 1.89   1.620% *  0.0627% (0.31  1.00   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 4 structures by 1.26 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.385, support = 0.02, residual support = 0.02:
          HB2   HIS  122 - QD2   LEU   40  12.86 +/- 6.58  34.966% * 19.5836% (0.31   0.02   0.02) =  34.187%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.42 +/- 1.55  14.701% * 35.9222% (0.57   0.02   0.02) =  26.366%  kept
          HA    LEU   63 - QD2   LEU   40  10.11 +/- 1.52  39.968% * 11.1120% (0.18   0.02   0.02) =  22.173%  kept
          HB2   HIS   22 - QD2   LEU   40  17.37 +/- 2.33  10.364% * 33.3822% (0.53   0.02   0.02) =  17.274%  kept
    Distance limit 3.63 A violated in 17 structures by 4.92 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.709, support = 2.81, residual support = 8.64:
          QE    LYS+  99 - QD2   LEU   40   5.23 +/- 4.97  64.445% * 81.9665% (0.69   3.06   9.48) =  90.374%  kept
          QE    LYS+  38 - QD2   LEU   40   7.84 +/- 1.90  32.468% * 17.2543% (0.92   0.48   0.76) =   9.584%  kept
          QE    LYS+ 102 - QD2   LEU   40  11.04 +/- 3.63   3.087% *  0.7792% (1.00   0.02   0.02) =   0.041%
    Distance limit 4.06 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.84, support = 1.09, residual support = 1.28:
        T HB3   PHE   97 - QD2   LEU   40   6.33 +/- 3.74  44.630% * 90.7257% (0.84 10.00   1.10   1.33) =  96.303%  kept
          HB2   GLU- 100 - QD2   LEU   40   9.09 +/- 4.02  17.224% *  8.8187% (0.99  1.00   0.90   0.02) =   3.613%  kept
          HB2   PRO   58 - QD2   LEU   40  14.10 +/- 3.21  14.564% *  0.0740% (0.38  1.00   0.02   0.02) =   0.026%
          QG    GLN   32 - QD2   LEU   40  12.16 +/- 1.12  12.905% *  0.0673% (0.34  1.00   0.02   0.02) =   0.021%
          QG    GLU-  79 - QD2   LEU   40  15.22 +/- 2.00   6.447% *  0.1276% (0.65  1.00   0.02   0.02) =   0.020%
          HB2   GLN  116 - QD2   LEU   40  15.89 +/- 2.11   4.230% *  0.1866% (0.95  1.00   0.02   0.02) =   0.019%
    Distance limit 4.33 A violated in 6 structures by 2.04 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.38, residual support = 104.3:
      O T HB2   LEU   40 - QD1   LEU   40   2.47 +/- 0.43  79.636% * 99.2435% (0.84  10.0 10.00   4.39 104.35) =  99.921%  kept
        T HB2   LEU   67 - QD1   LEU   40   7.04 +/- 2.47  11.616% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.072%
          HB    VAL   18 - QD1   LEU   40   9.15 +/- 2.81   4.676% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HB3   MET   96 - QD1   LEU   40   9.35 +/- 1.90   3.058% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD1   LEU   40  18.37 +/- 3.37   0.364% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD1   LEU   40  14.02 +/- 2.29   0.650% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 5.43, residual support = 104.2:
      O   HB2   LEU   40 - QD2   LEU   40   2.80 +/- 0.43  88.866% * 96.6350% (0.34  10.0  1.00   5.44 104.35) =  99.815%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.09 +/- 2.41   5.773% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.170%  kept
          HB    VAL   18 - QD2   LEU   40  10.18 +/- 3.22   3.274% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.011%
          HB3   ARG+  54 - QD2   LEU   40  19.17 +/- 3.09   0.469% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QD2   LEU   40  14.39 +/- 1.65   0.781% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QD2   LEU   40  15.67 +/- 3.00   0.838% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.766, support = 4.54, residual support = 104.3:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  54.835% * 41.4524% (0.65  10.0  1.00   4.42 104.35) =  52.133%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.51 +/- 0.39  36.272% * 57.4671% (0.90  10.0 10.00   4.67 104.35) =  47.807%  kept
        T HG    LEU   67 - QD1   LEU   40   7.24 +/- 2.45   4.959% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.056%
        T HB3   LEU  115 - QD1   LEU   40  13.49 +/- 1.46   0.237% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU   40  12.56 +/- 3.72   0.553% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   8.53 +/- 2.13   1.685% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  13.70 +/- 2.04   0.266% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  10.71 +/- 2.16   0.705% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  12.80 +/- 3.56   0.489% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.952, support = 4.38, residual support = 102.0:
      O T QD1   LEU   40 - HB2   LEU   40   2.47 +/- 0.43  53.850% * 92.1745% (1.00  10.0 10.00   4.39 104.35) =  94.788%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.93 +/- 0.40  35.710% *  7.6201% (0.08  10.0  1.00   4.26  60.40) =   5.196%  kept
        T QD1   LEU   40 - HB2   LEU   67   7.04 +/- 2.47   7.138% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.012%
          QD2   LEU   67 - HB2   LEU   40   8.40 +/- 2.24   2.306% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - HB2   LEU   40  16.72 +/- 2.97   0.310% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  16.53 +/- 3.85   0.687% *  0.0032% (0.03   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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.67, residual support = 104.3:
      O T QD1   LEU   40 - HB3   LEU   40   2.51 +/- 0.39  91.284% * 99.7412% (1.00  10.0 10.00   4.67 104.35) =  99.995%  kept
          QD2   LEU   67 - HB3   LEU   40   9.15 +/- 2.18   3.417% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU   40 - HB3   LEU  115  13.49 +/- 1.46   0.723% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU   40  16.61 +/- 2.93   1.204% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.32 +/- 2.06   2.543% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  14.16 +/- 2.67   0.829% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.863, support = 4.13, residual support = 103.8:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  62.586% * 89.0820% (0.87  10.0 10.00   4.14 104.35) =  99.459%  kept
          QD1   ILE  119 - HG    LEU  115   4.44 +/- 1.14  14.354% *  1.2043% (0.10   1.0  1.00   2.31   9.47) =   0.308%  kept
        T QD1   LEU   67 - HG    LEU   73   8.80 +/- 1.70   1.277% *  6.3403% (0.16   1.0 10.00   0.79   0.02) =   0.144%  kept
        T QD1   LEU   67 - HG    LEU   40   6.89 +/- 1.94   4.232% *  0.8578% (0.84   1.0 10.00   0.02   0.02) =   0.065%
        T QD2   LEU   40 - HG    LEU   73   8.77 +/- 2.08   1.598% *  0.1661% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   67 - HG    LEU  115  13.31 +/- 2.67   0.481% *  0.4966% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  74 - HG    LEU  115  17.12 +/- 4.18   0.568% *  0.3606% (0.35   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  74 - HG    LEU   40  13.58 +/- 2.14   0.319% *  0.6229% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   40 - HG    LEU  115  14.25 +/- 1.93   0.250% *  0.5158% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HG    LEU   40   6.26 +/- 1.55   4.992% *  0.0180% (0.18   1.0  1.00   0.02   1.92) =   0.002%
          QG2   ILE  103 - HG    LEU   40   9.84 +/- 2.37   0.869% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   40  11.33 +/- 1.54   0.552% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.75 +/- 1.00   1.514% *  0.0166% (0.16   1.0  1.00   0.02   1.63) =   0.000%
          HB    VAL   75 - HG    LEU  115  13.77 +/- 2.38   0.319% *  0.0516% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.50 +/- 1.07   1.265% *  0.0116% (0.11   1.0  1.00   0.02  41.39) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.81 +/- 2.79   0.283% *  0.0432% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  13.22 +/- 3.20   0.515% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.55 +/- 1.76   2.752% *  0.0034% (0.03   1.0  1.00   0.02   1.17) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.55 +/- 2.36   0.564% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.26 +/- 2.53   0.175% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.14 +/- 2.97   0.537% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.862, support = 3.91, residual support = 74.7:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.05  42.089% * 93.5984% (0.87  10.0 10.00   3.97  75.92) =  97.759%  kept
          QD2   LEU   98 - QG1   VAL   41   4.24 +/- 2.28  20.765% *  3.9822% (0.69   1.0  1.00   1.07  22.23) =   2.052%  kept
        T QD1   LEU   63 - QG2   VAL   18   7.07 +/- 2.13   9.285% *  0.2545% (0.24   1.0 10.00   0.02   0.02) =   0.059%
        T QD1   LEU   73 - QG1   VAL   41   5.90 +/- 1.37   5.173% *  0.3330% (0.31   1.0 10.00   0.02   0.02) =   0.043%
        T QG2   VAL   41 - QG2   VAL   18   8.54 +/- 3.54   1.842% *  0.7153% (0.66   1.0 10.00   0.02   0.02) =   0.033%
        T QD1   LEU   73 - QG2   VAL   18   6.89 +/- 2.37   5.025% *  0.2545% (0.24   1.0 10.00   0.02   0.62) =   0.032%
        T QD2   LEU   98 - QD2   LEU  104   5.10 +/- 1.05   5.221% *  0.0398% (0.04   1.0 10.00   0.02   9.79) =   0.005%
          QD2   LEU   63 - QG2   VAL   18   6.90 +/- 1.73   2.303% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   63 - QG1   VAL   41   9.88 +/- 1.78   0.499% *  0.3330% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   VAL   41 - QD2   LEU  104   6.89 +/- 1.91   3.238% *  0.0503% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QG1   VAL   41   9.35 +/- 2.13   0.648% *  0.0968% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - QG2   VAL   18  12.31 +/- 5.51   0.929% *  0.0566% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - QG2   VAL   18  11.12 +/- 3.13   0.720% *  0.0566% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG1   VAL   41  12.83 +/- 3.88   0.388% *  0.0741% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD2   LEU  104   9.98 +/- 2.50   0.860% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  11.66 +/- 2.13   0.355% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.10 +/- 3.21   0.153% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104  11.05 +/- 2.55   0.507% *  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 = 0.227, support = 1.26, residual support = 6.2:
          QB    ALA   34 - QG2   VAL   41   4.11 +/- 2.56  54.984% * 40.1056% (0.18   1.49   7.86) =  78.776%  kept
          QB    ALA   88 - QG2   VAL   41  13.54 +/- 3.09   6.853% * 43.6481% (0.61   0.47   0.02) =  10.686%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.82 +/- 2.70  24.560% * 11.1215% (0.20   0.37   0.02) =   9.758%  kept
          QG2   THR   77 - QG2   VAL   41  11.52 +/- 0.98   4.251% *  2.8989% (0.95   0.02   0.02) =   0.440%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.06 +/- 1.15   6.396% *  0.8520% (0.28   0.02   0.02) =   0.195%  kept
          QG2   THR   23 - QG2   VAL   41  11.65 +/- 2.52   2.956% *  1.3739% (0.45   0.02   0.02) =   0.145%  kept
    Distance limit 3.27 A violated in 3 structures by 0.71 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.36, residual support = 22.1:
        T QB    LEU   98 - QG2   VAL   41   4.52 +/- 2.33  35.100% * 94.9964% (0.34 10.00   2.37  22.23) =  99.507%  kept
          HB3   LYS+  74 - QG2   VAL   41   9.15 +/- 1.56   4.148% *  1.0235% (0.61  1.00   0.12   0.02) =   0.127%  kept
          HG12  ILE   19 - QG2   VAL   41   8.83 +/- 4.07  12.835% *  0.2779% (1.00  1.00   0.02   0.02) =   0.106%  kept
        T HB2   LEU   80 - QG2   VAL   41  13.53 +/- 2.86   1.343% *  2.2300% (0.80 10.00   0.02   0.02) =   0.089%
          HG    LEU   73 - QG2   VAL   41   5.49 +/- 2.30  27.522% *  0.0860% (0.31  1.00   0.02   0.02) =   0.071%
          HB3   LEU   67 - QG2   VAL   41   9.66 +/- 1.80   5.905% *  0.1913% (0.69  1.00   0.02   0.02) =   0.034%
          QB    ALA   61 - QG2   VAL   41   9.96 +/- 2.01   3.193% *  0.2326% (0.84  1.00   0.02   0.02) =   0.022%
          HD3   LYS+ 121 - QG2   VAL   41  15.38 +/- 6.48   2.700% *  0.1802% (0.65  1.00   0.02   0.02) =   0.015%
          HG    LEU   80 - QG2   VAL   41  13.76 +/- 3.40   1.553% *  0.2688% (0.97  1.00   0.02   0.02) =   0.012%
          QG    LYS+  66 - QG2   VAL   41  12.19 +/- 1.44   1.506% *  0.1356% (0.49  1.00   0.02   0.02) =   0.006%
          QB    ALA  110 - QG2   VAL   41  15.06 +/- 1.60   0.658% *  0.2730% (0.98  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - QG2   VAL   41  10.71 +/- 2.87   2.020% *  0.0620% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  14.35 +/- 3.40   1.516% *  0.0430% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 4 structures by 0.77 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.79 +/- 2.31 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.07 A violated in 20 structures by 8.72 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.68, residual support = 75.9:
      O   HN    VAL   41 - HB    VAL   41   3.32 +/- 0.45 100.000% *100.0000% (0.47  10.0   4.68  75.92) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.938, support = 2.62, residual support = 21.7:
          HN    LEU   98 - QG1   VAL   41   5.70 +/- 2.28  40.091% * 96.2221% (0.98   2.67  22.23) =  95.437%  kept
          HN    LEU   98 - QD2   LEU  104   4.08 +/- 1.13  56.601% *  3.2265% (0.05   1.67   9.79) =   4.518%  kept
          HN    LEU   98 - QG2   VAL   18  12.31 +/- 3.24   3.308% *  0.5514% (0.75   0.02   0.02) =   0.045%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.569, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.58 +/- 2.64  37.339% * 34.1212% (0.66   0.02   0.02) =  47.994%  kept
          HN    LYS+  66 - HB    VAL   41  13.77 +/- 2.00  27.164% * 29.5320% (0.57   0.02   0.02) =  30.219%  kept
          HN    LYS+  81 - HB    VAL   41  19.69 +/- 2.84  12.288% * 24.2865% (0.47   0.02   0.02) =  11.242%  kept
          QE    PHE   59 - HB    VAL   41  15.61 +/- 2.94  23.209% * 12.0603% (0.23   0.02   0.02) =  10.544%  kept
    Distance limit 3.76 A violated in 20 structures by 6.96 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.27, residual support = 28.6:
      O   HN    VAL   42 - HA    VAL   41   2.27 +/- 0.08  78.757% * 98.2908% (0.98  10.0   5.28  28.72) =  99.621%  kept
          HN    LEU   73 - HA    VAL   41   5.15 +/- 1.43  18.111% *  1.6174% (0.98   1.0   0.33   0.02) =   0.377%  kept
          HN    ILE   19 - HA    VAL   41   8.90 +/- 4.24   2.643% *  0.0608% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  14.00 +/- 2.53   0.490% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.97, residual support = 38.2:
      O   HN    VAL   43 - HA    VAL   42   2.25 +/- 0.06  99.824% * 99.9765% (0.90  10.0   4.97  38.25) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  20.00 +/- 2.18   0.176% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.858, support = 0.0603, residual support = 0.02:
          QD1   ILE   89 - QG2   VAL   41  10.07 +/- 2.70  24.588% * 76.3622% (0.98   0.08   0.02) =  72.911%  kept
          QD2   LEU   31 - QG2   VAL   41   5.40 +/- 3.31  58.062% *  7.0614% (0.34   0.02   0.02) =  15.921%  kept
          QG2   VAL   83 - QG2   VAL   41  10.10 +/- 2.91  17.350% * 16.5764% (0.80   0.02   0.02) =  11.168%  kept
    Distance limit 3.05 A violated in 9 structures by 1.65 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.829, support = 4.08, residual support = 28.2:
        T HB    VAL   41 - HB    VAL   42   5.62 +/- 0.65  26.830% * 95.1841% (0.84 10.00   4.14  28.72) =  98.205%  kept
          HB2   LEU   71 - HB    VAL   42   7.64 +/- 2.39  18.269% *  2.2696% (0.42  1.00   0.95   1.27) =   1.595%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.98 +/- 2.15   2.119% *  0.6380% (0.56 10.00   0.02   0.02) =   0.052%
          HG2   PRO   93 - HB2   LYS+ 112   9.60 +/- 2.97   9.842% *  0.0604% (0.53  1.00   0.02   0.02) =   0.023%
          HB3   PRO   52 - HB2   LYS+ 112  10.14 +/- 3.96  12.733% *  0.0422% (0.37  1.00   0.02   0.02) =   0.021%
        T HB    VAL   41 - HB2   LYS+ 112  21.64 +/- 3.19   0.766% *  0.6717% (0.59 10.00   0.02   0.02) =   0.020%
          QB    LYS+  66 - HB    VAL   42  10.71 +/- 2.07   4.907% *  0.0984% (0.87  1.00   0.02   0.02) =   0.019%
          HG12  ILE  103 - HB    VAL   42   9.91 +/- 2.17   5.176% *  0.0856% (0.75  1.00   0.02   0.02) =   0.017%
          QB    LYS+  65 - HB    VAL   42   9.78 +/- 1.48   5.941% *  0.0519% (0.46  1.00   0.02   0.02) =   0.012%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.72 +/- 2.36   0.508% *  0.4503% (0.40 10.00   0.02   0.02) =   0.009%
          QB    LYS+  66 - HB2   LYS+ 112  15.60 +/- 3.48   3.255% *  0.0695% (0.61  1.00   0.02   0.02) =   0.009%
          HG2   PRO   93 - HB    VAL   42  15.30 +/- 1.82   1.475% *  0.0856% (0.75  1.00   0.02   0.02) =   0.005%
          HG    LEU  123 - HB    VAL   42  16.86 +/- 4.70   1.997% *  0.0598% (0.53  1.00   0.02   0.02) =   0.005%
          HG    LEU  123 - HB2   LYS+ 112  13.07 +/- 1.41   2.116% *  0.0422% (0.37  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   LYS+ 112  14.73 +/- 2.07   1.797% *  0.0366% (0.32  1.00   0.02   0.02) =   0.003%
          HB3   PRO   52 - HB    VAL   42  19.06 +/- 3.33   1.048% *  0.0598% (0.53  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HB2   LYS+ 112  20.68 +/- 2.26   0.686% *  0.0604% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   LYS+ 112  22.84 +/- 4.10   0.534% *  0.0339% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 16 structures by 1.68 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 4.89, residual support = 77.7:
          HN    VAL   42 - QG2   VAL   42   3.31 +/- 0.48  58.103% * 73.5872% (0.64   5.32  88.48) =  87.572%  kept
          HN    LEU   73 - QG2   VAL   42   5.73 +/- 1.87  23.134% * 26.0759% (0.64   1.89   1.52) =  12.355%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.11 +/- 2.13  11.116% *  0.2765% (0.64   0.02   0.02) =   0.063%
          HN    ILE   19 - QG2   VAL   42   9.17 +/- 2.68   7.647% *  0.0605% (0.14   0.02   0.02) =   0.009%
    Distance limit 3.39 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.09, residual support = 38.2:
          HN    VAL   43 - QG2   VAL   42   3.52 +/- 0.49 100.000% *100.0000% (0.72   5.09  38.25) = 100.000%  kept
    Distance limit 3.93 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 = 0.954, support = 3.97, residual support = 86.8:
      O T HA    VAL   42 - QG1   VAL   42   2.64 +/- 0.32  63.552% * 91.4891% (0.97  10.0 10.00   4.00  88.48) =  97.890%  kept
          HA    THR   46 - QB    ALA   47   3.86 +/- 0.15  22.468% *  5.4584% (0.44   1.0  1.00   2.63  11.18) =   2.065%  kept
        T HA    GLN   17 - QG1   VAL   42  10.44 +/- 3.74   1.855% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.017%
        T HA    PHE   55 - QB    ALA   47  10.98 +/- 1.40   1.097% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.008%
        T HA    VAL   42 - QB    ALA   47  13.94 +/- 1.71   0.559% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - QG1   VAL   42  14.89 +/- 2.24   0.459% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   17 - QB    ALA   47  17.62 +/- 3.84   0.367% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   90 - QB    ALA   47   9.16 +/- 2.70   3.937% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.45 +/- 0.67   1.625% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  11.13 +/- 3.30   1.829% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG1   VAL   42  12.12 +/- 2.12   1.103% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.88 +/- 0.82   0.465% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.31 +/- 1.45   0.579% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  24.05 +/- 2.38   0.105% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.902, support = 1.51, residual support = 3.6:
          QD    PHE   60 - QG1   VAL   42   6.45 +/- 2.29  27.965% * 88.9946% (0.93   1.58   3.82) =  94.203%  kept
          QE    PHE   59 - QG1   VAL   42   8.22 +/- 2.31  17.564% *  6.3918% (0.33   0.32   0.02) =   4.249%  kept
          HN    LYS+  66 - QG1   VAL   42   8.40 +/- 1.92  14.002% *  0.9720% (0.81   0.02   0.02) =   0.515%  kept
          QD    PHE   60 - QB    ALA   47   9.08 +/- 2.14   9.639% *  0.9698% (0.80   0.02   0.02) =   0.354%  kept
          HN    LYS+  81 - QB    ALA   47  11.78 +/- 3.32   9.346% *  0.6903% (0.57   0.02   0.02) =   0.244%  kept
          HN    LYS+  66 - QB    ALA   47  12.70 +/- 3.93   6.462% *  0.8394% (0.70   0.02   0.02) =   0.205%  kept
          QE    PHE   59 - QB    ALA   47  10.33 +/- 2.43  13.057% *  0.3428% (0.28   0.02   0.02) =   0.169%  kept
          HN    LYS+  81 - QG1   VAL   42  15.31 +/- 1.60   1.965% *  0.7993% (0.66   0.02   0.02) =   0.059%
    Distance limit 3.08 A violated in 12 structures by 1.81 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 4.91, residual support = 76.0:
          HN    VAL   42 - QG1   VAL   42   3.50 +/- 0.38  55.301% * 75.5068% (0.77   5.45  88.48) =  85.702%  kept
          HN    LEU   73 - QG1   VAL   42   5.21 +/- 1.67  29.669% * 23.3851% (0.77   1.69   1.52) =  14.240%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.27 +/- 2.01   6.348% *  0.2771% (0.77   0.02   0.02) =   0.036%
          HN    LYS+ 106 - QB    ALA   47  15.17 +/- 2.38   1.322% *  0.2393% (0.67   0.02   0.02) =   0.006%
          HN    ILE   19 - QG1   VAL   42   8.85 +/- 2.99   4.667% *  0.0606% (0.17   0.02   0.02) =   0.006%
          HN    LEU   73 - QB    ALA   47  13.64 +/- 1.61   1.021% *  0.2393% (0.67   0.02   0.02) =   0.005%
          HN    VAL   42 - QB    ALA   47  14.33 +/- 1.56   0.898% *  0.2393% (0.67   0.02   0.02) =   0.004%
          HN    ILE   19 - QB    ALA   47  15.54 +/- 3.05   0.774% *  0.0523% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.09, residual support = 38.2:
          HN    VAL   43 - QG1   VAL   42   2.82 +/- 0.53  92.002% * 99.3900% (0.40   5.09  38.25) =  99.982%  kept
          HN    VAL   43 - QB    ALA   47  12.57 +/- 1.63   2.702% *  0.3370% (0.34   0.02   0.02) =   0.010%
          HN    VAL   24 - QB    ALA   47  15.16 +/- 3.63   4.075% *  0.1265% (0.13   0.02   0.02) =   0.006%
          HN    VAL   24 - QG1   VAL   42  13.72 +/- 2.06   1.221% *  0.1465% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.422, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   7.69 +/- 1.91  79.954% * 53.6601% (0.43   0.02   0.02) =  82.202%  kept
          HN    LEU  104 - QB    ALA   47  17.11 +/- 3.24  20.046% * 46.3399% (0.37   0.02   0.02) =  17.798%  kept
    Distance limit 3.84 A violated in 18 structures by 3.38 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 = 16.1:
          HN    TRP   49 - QB    ALA   47   2.69 +/- 0.49  88.854% * 95.0510% (0.29   3.73  16.12) =  99.882%  kept
          HE22  GLN   30 - QG1   VAL   42   9.36 +/- 1.37   4.353% *  0.9194% (0.53   0.02   0.02) =   0.047%
          HD22  ASN   69 - QG1   VAL   42  10.01 +/- 1.90   2.737% *  1.0576% (0.61   0.02   0.02) =   0.034%
          HE22  GLN   30 - QB    ALA   47  16.76 +/- 2.29   1.153% *  1.2004% (0.69   0.02   0.02) =   0.016%
          HN    TRP   49 - QG1   VAL   42  13.72 +/- 2.09   2.320% *  0.3908% (0.22   0.02   0.02) =   0.011%
          HD22  ASN   69 - QB    ALA   47  18.55 +/- 4.40   0.584% *  1.3808% (0.79   0.02   0.02) =   0.010%
    Distance limit 3.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.406, support = 2.25, residual support = 10.3:
      O   HN    ALA   47 - QB    ALA   47   2.36 +/- 0.18  65.911% * 85.2688% (0.39  10.0   2.31  10.73) =  95.959%  kept
          QD    PHE   95 - QB    ALA   47   8.68 +/- 1.73  14.245% *  8.9166% (0.91   1.0   0.89   0.38) =   2.169%  kept
          QD    PHE   95 - QG1   VAL   42   4.41 +/- 1.51  19.067% *  5.7492% (0.70   1.0   0.75   0.96) =   1.872%  kept
          HN    ALA   47 - QG1   VAL   42  10.87 +/- 0.99   0.777% *  0.0653% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.34 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 = 0.603, support = 2.24, residual support = 18.4:
        T HB3   LEU   73 - QG1   VAL   43   5.93 +/- 2.51  19.346% * 41.4672% (0.69 10.00   0.43   7.51) =  51.913%  kept
          HB    VAL   42 - QG1   VAL   43   5.69 +/- 0.62  11.862% * 39.5734% (0.62  1.00   4.58  38.25) =  30.375%  kept
          HB3   ASP-  44 - QG1   VAL   43   5.98 +/- 0.98  15.477% * 17.1054% (0.34  1.00   3.62  16.67) =  17.132%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.90 +/- 2.52  12.434% *  0.2379% (0.85  1.00   0.02   0.02) =   0.191%  kept
          HG    LEU   98 - QG1   VAL   43   5.88 +/- 1.63  14.503% *  0.1627% (0.58  1.00   0.02   0.02) =   0.153%  kept
          QB    ALA   84 - QG1   VAL   43   8.55 +/- 2.02   6.129% *  0.1922% (0.69  1.00   0.02   0.02) =   0.076%
          HB3   PRO   93 - QG1   VAL   43   9.96 +/- 1.87   3.722% *  0.2014% (0.72  1.00   0.02   0.02) =   0.049%
          HG3   LYS+ 102 - QG1   VAL   43  11.59 +/- 2.02   1.797% *  0.2014% (0.72  1.00   0.02   0.02) =   0.023%
          HB3   LEU   80 - QG1   VAL   43   9.48 +/- 2.92   6.423% *  0.0498% (0.18  1.00   0.02   0.02) =   0.021%
          HG3   LYS+  65 - QG1   VAL   43  11.81 +/- 2.12   1.755% *  0.1728% (0.62  1.00   0.02   0.02) =   0.020%
          HG3   LYS+  33 - QG1   VAL   43  11.95 +/- 2.69   1.579% *  0.1526% (0.54  1.00   0.02   0.02) =   0.016%
          HB2   LEU   63 - QG1   VAL   43  10.24 +/- 1.95   2.921% *  0.0699% (0.25  1.00   0.02   0.02) =   0.013%
          HB2   LYS+ 112 - QG1   VAL   43  14.82 +/- 2.42   0.835% *  0.2182% (0.78  1.00   0.02   0.02) =   0.012%
          QB    ALA  124 - QG1   VAL   43  17.19 +/- 3.07   0.513% *  0.1323% (0.47  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG1   VAL   43  17.15 +/- 3.59   0.704% *  0.0627% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.36 A violated in 0 structures by 0.63 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.268, support = 1.41, residual support = 3.58:
        T HH2   TRP   27 - QG1   VAL   43   5.71 +/- 4.06  56.036% * 47.3376% (0.31 10.00   1.14   3.58) =  53.395%  kept
        T HZ3   TRP   27 - QG1   VAL   43   5.98 +/- 3.58  43.964% * 52.6624% (0.22 10.00   1.73   3.58) =  46.605%  kept
    Distance limit 3.02 A violated in 8 structures by 2.30 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.26, residual support = 60.7:
          HN    VAL   43 - QG1   VAL   43   2.49 +/- 0.72 100.000% *100.0000% (0.80   5.26  60.75) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.357, support = 3.57, residual support = 16.9:
          HN    ASP-  44 - QG2   VAL   43   3.31 +/- 0.57  46.576% * 70.0758% (0.39   3.89  16.67) =  81.806%  kept
          HN    ASN   28 - QD2   LEU   31   3.87 +/- 0.73  36.001% * 18.7431% (0.18   2.23  19.56) =  16.912%  kept
          HN    ASN   28 - QG2   VAL   43   9.51 +/- 3.39   4.745% * 10.3685% (0.63   0.35   0.02) =   1.233%  kept
          HN    GLU-  25 - QG2   VAL   43  11.35 +/- 3.44   2.587% *  0.3344% (0.36   0.02   0.02) =   0.022%
          HN    GLU-  25 - QD2   LEU   31   7.69 +/- 0.69   3.986% *  0.0959% (0.10   0.02   0.02) =   0.010%
          HN    ASP-  44 - QD2   LEU   31   9.34 +/- 2.22   3.488% *  0.1032% (0.11   0.02   0.02) =   0.009%
          HN    ASN   69 - QG2   VAL   43  12.16 +/- 1.35   1.176% *  0.2168% (0.23   0.02   0.02) =   0.006%
          HN    ASN   69 - QD2   LEU   31  13.34 +/- 2.50   1.441% *  0.0622% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.19, residual support = 60.7:
      O   HN    VAL   43 - HB    VAL   43   2.79 +/- 0.43 100.000% *100.0000% (0.87  10.0   4.19  60.75) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 15.7:
          HN    MET   96 - HB    VAL   43   4.27 +/- 1.46 100.000% *100.0000% (0.51   1.50  15.71) = 100.000%  kept
    Distance limit 3.81 A violated in 1 structures by 0.64 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.59, residual support = 19.1:
        T QD    PHE   45 - HB3   ASP-  44   4.53 +/- 0.65 100.000% *100.0000% (0.80 10.00   4.59  19.10) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.72 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.06, residual support = 40.0:
      O   HN    ASP-  44 - HB3   ASP-  44   3.35 +/- 0.42  97.519% * 99.8560% (0.98  10.0   4.06  40.03) =  99.998%  kept
          HN    GLU-  25 - HB3   ASP-  44  16.73 +/- 2.43   1.210% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  15.25 +/- 1.90   1.271% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.921, support = 1.94, residual support = 5.11:
          HA    LYS+  74 - HB2   ASP-  44   5.32 +/- 1.21  83.281% * 91.9066% (0.92  1.00   1.97   5.20) =  98.263%  kept
        T HA    MET   92 - HB2   ASP-  44  11.10 +/- 1.36  16.719% *  8.0934% (0.80 10.00   0.02   0.02) =   1.737%  kept
    Distance limit 4.04 A violated in 10 structures by 1.33 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.14, residual support = 40.0:
      O   HN    ASP-  44 - HB2   ASP-  44   2.84 +/- 0.43  98.212% * 99.8560% (0.98  10.0   3.14  40.03) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  16.33 +/- 1.95   0.816% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  14.77 +/- 1.51   0.972% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.614, support = 3.9, residual support = 33.8:
      O   HN    ASP-  44 - HA    ASP-  44   2.89 +/- 0.04  33.739% * 81.9551% (0.80  10.0   3.83  40.03) =  70.225%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.31 +/- 0.08  65.405% * 17.9245% (0.18  10.0   4.07  19.10) =  29.774%  kept
          HN    ALA  110 - HA    ASP-  44  11.74 +/- 1.79   0.616% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  16.67 +/- 2.22   0.241% *  0.0855% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 2.99 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 = 4.43:
          HA    PHE   95 - HA    ASP-  44   3.04 +/- 1.39 100.000% *100.0000% (0.87   2.00   4.43) = 100.000%  kept
    Distance limit 3.69 A violated in 2 structures by 0.34 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.3:
        T HB    THR   94 - HB2   PHE   45   2.89 +/- 0.61  84.771% * 98.9931% (0.65 10.00   2.96  27.34) =  99.983%  kept
          QB    SER   48 - HB2   PHE   45  10.08 +/- 1.12   3.289% *  0.1169% (0.76  1.00   0.02   0.02) =   0.005%
          HA    LYS+  65 - HB2   PHE   45  13.18 +/- 4.31   2.231% *  0.1413% (0.92  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - HB2   PHE   45  11.56 +/- 1.57   2.037% *  0.1477% (0.97  1.00   0.02   0.02) =   0.004%
          HD2   PRO   52 - HB2   PHE   45  12.22 +/- 2.24   2.012% *  0.0522% (0.34  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  18.97 +/- 2.50   0.553% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  15.09 +/- 1.64   0.867% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PHE   45  10.71 +/- 1.17   2.175% *  0.0268% (0.18  1.00   0.02   0.11) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  21.71 +/- 4.70   0.336% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   45  14.31 +/- 1.77   1.015% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.66 +/- 2.55   0.373% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  21.59 +/- 2.62   0.340% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.43, support = 2.11, residual support = 9.42:
          QG2   THR   77 - HB2   PHE   45   5.26 +/- 3.46  55.055% * 80.4404% (0.45   2.19  10.17) =  92.593%  kept
          QB    ALA   88 - HB2   PHE   45   9.41 +/- 1.39  20.680% * 15.7583% (0.15   1.25   0.11) =   6.814%  kept
          QG2   THR   23 - HB2   PHE   45  14.60 +/- 2.55  11.751% *  1.5505% (0.95   0.02   0.02) =   0.381%  kept
          QG2   ILE   56 - HB2   PHE   45  11.44 +/- 3.13   7.736% *  0.7348% (0.45   0.02   0.02) =   0.119%  kept
          QB    ALA   34 - HB2   PHE   45  15.22 +/- 1.53   3.778% *  1.0603% (0.65   0.02   0.02) =   0.084%
          HG3   LYS+  38 - HB2   PHE   45  24.05 +/- 1.24   0.999% *  0.4557% (0.28   0.02   0.02) =   0.010%
    Distance limit 3.81 A violated in 7 structures by 1.34 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 13.3:
        T QG2   ILE   89 - HB2   PHE   45   4.02 +/- 1.65  76.053% * 99.8023% (1.00 10.00   0.75  13.31) =  99.958%  kept
          QG1   VAL   83 - HB2   PHE   45   8.87 +/- 2.05  19.686% *  0.1510% (0.57  1.00   0.02   2.38) =   0.039%
          QD1   LEU  104 - HB2   PHE   45  13.83 +/- 1.45   4.260% *  0.0467% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 2 structures by 0.62 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.875, support = 2.46, residual support = 9.43:
          QG2   THR   77 - HB3   PHE   45   5.06 +/- 3.39  52.768% * 78.6808% (0.87   2.61  10.17) =  92.659%  kept
          QB    ALA   88 - HB3   PHE   45   9.63 +/- 1.24  16.340% * 19.7276% (0.99   0.57   0.11) =   7.194%  kept
          HB3   LEU   80 - HB3   PHE   45   9.53 +/- 2.32  17.054% *  0.1374% (0.20   0.02   0.02) =   0.052%
          HG2   LYS+ 111 - HB3   PHE   45  14.38 +/- 2.10   7.873% *  0.2605% (0.38   0.02   0.02) =   0.046%
          HG2   LYS+  99 - HB3   PHE   45  19.68 +/- 1.67   2.535% *  0.4490% (0.65   0.02   0.02) =   0.025%
          HG2   LYS+  38 - HB3   PHE   45  24.05 +/- 0.91   1.021% *  0.5305% (0.76   0.02   0.02) =   0.012%
          HB2   LEU   31 - HB3   PHE   45  18.25 +/- 2.92   2.409% *  0.2142% (0.31   0.02   0.02) =   0.012%
    Distance limit 3.50 A violated in 6 structures by 1.41 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.11, residual support = 13.3:
        T QG2   ILE   89 - HB3   PHE   45   4.16 +/- 1.66 100.000% *100.0000% (0.69 10.00   1.11  13.31) = 100.000%  kept
    Distance limit 3.63 A violated in 1 structures by 0.71 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.36, residual support = 80.1:
      O   QD    PHE   45 - HB2   PHE   45   2.55 +/- 0.18  98.582% * 99.6976% (0.65  10.0   4.36  80.13) =  99.998%  kept
          HE22  GLN  116 - HB2   PHE   45  18.19 +/- 3.71   0.672% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB2   PHE   45  16.41 +/- 2.90   0.489% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   PHE   45  21.20 +/- 4.44   0.258% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.724, support = 3.63, residual support = 79.8:
      O   HN    PHE   45 - HB2   PHE   45   2.78 +/- 0.55  88.058% * 95.0471% (0.73  10.0   3.63  80.13) =  99.525%  kept
          HN    ASP-  44 - HB2   PHE   45   6.33 +/- 0.65   8.249% *  4.7994% (0.22   1.0   3.29  19.10) =   0.471%  kept
          HN    ALA  110 - HB2   PHE   45  11.14 +/- 2.07   2.606% *  0.1208% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB2   PHE   45  17.28 +/- 3.30   1.086% *  0.0326% (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 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.07, residual support = 80.1:
      O   QD    PHE   45 - HB3   PHE   45   2.52 +/- 0.20  98.633% * 99.6976% (0.65  10.0   5.07  80.13) =  99.998%  kept
          HE22  GLN  116 - HB3   PHE   45  18.20 +/- 3.71   0.630% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB3   PHE   45  16.46 +/- 2.93   0.498% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB3   PHE   45  21.25 +/- 4.64   0.238% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.95, residual support = 79.7:
      O   HN    PHE   45 - HB3   PHE   45   3.10 +/- 0.61  85.766% * 95.0478% (0.73  10.0   3.96  80.13) =  99.355%  kept
          HN    ASP-  44 - HB3   PHE   45   6.59 +/- 0.37  10.969% *  4.7988% (0.22   1.0   3.29  19.10) =   0.642%  kept
          HN    ALA  110 - HB3   PHE   45  11.12 +/- 2.54   2.461% *  0.1208% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB3   PHE   45  17.26 +/- 3.10   0.804% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.997, residual support = 3.7:
          HA    ASP-  76 - QG2   THR   46   5.90 +/- 2.42 100.000% *100.0000% (0.41   1.00   3.70) = 100.000%  kept
    Distance limit 3.41 A violated in 13 structures by 2.67 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.34, residual support = 34.1:
          HN    THR   46 - QG2   THR   46   2.59 +/- 0.43  90.580% * 95.4194% (0.76   3.35  34.15) =  99.833%  kept
          HN    LYS+  74 - QG2   THR   46   8.52 +/- 1.42   3.911% *  3.0523% (1.00   0.08   0.02) =   0.138%  kept
          HN    MET   92 - QG2   THR   46   8.21 +/- 1.39   3.299% *  0.4224% (0.57   0.02   0.02) =   0.016%
          HN    LYS+ 112 - QG2   THR   46  11.14 +/- 2.74   2.032% *  0.4827% (0.65   0.02   0.02) =   0.011%
          HN    MET   11 - QG2   THR   46  25.37 +/- 4.27   0.178% *  0.6232% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.69, residual support = 8.86:
          HN    ALA   47 - QG2   THR   46   3.14 +/- 0.66  75.747% * 53.9226% (0.25   3.20  11.18) =  78.517%  kept
          QD    PHE   95 - QG2   THR   46   6.14 +/- 1.59  24.253% * 46.0774% (0.84   0.82   0.36) =  21.483%  kept
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.317, support = 0.936, residual support = 0.787:
          QB    CYS   50 - QG2   THR   46   4.72 +/- 1.57  50.237% * 82.4877% (0.31   0.99   0.83) =  94.549%  kept
          QE    LYS+  74 - QG2   THR   46   6.87 +/- 1.37  23.554% *  6.1607% (0.28   0.08   0.02) =   3.311%  kept
          HB2   PHE   72 - QG2   THR   46  10.08 +/- 1.05   9.378% *  5.4043% (1.00   0.02   0.02) =   1.156%  kept
          HA    ALA   64 - QG2   THR   46   9.27 +/- 2.13  13.041% *  2.2267% (0.41   0.02   0.02) =   0.663%  kept
          HB3   ASN   69 - QG2   THR   46  15.17 +/- 3.00   3.790% *  3.7205% (0.69   0.02   0.02) =   0.322%  kept
    Distance limit 3.62 A violated in 5 structures by 0.96 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.15:
      O   HN    SER   48 - HA    SER   48   2.78 +/- 0.04  98.756% * 99.9333% (0.49  10.0   2.61   9.15) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  17.57 +/- 4.48   0.800% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  19.51 +/- 3.85   0.444% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.4, residual support = 9.15:
      O   HN    SER   48 - QB    SER   48   2.30 +/- 0.22  98.524% * 99.9496% (0.95  10.0   2.40   9.15) = 100.000%  kept
          HN    SER   48 - QB    SER  117  17.83 +/- 3.70   0.834% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER   85  15.60 +/- 3.35   0.642% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.929, support = 4.08, residual support = 83.5:
      O   HN    TRP   49 - HB2   TRP   49   3.50 +/- 0.14  56.749% * 97.0236% (0.95  10.0   4.09  85.26) =  97.852%  kept
          HN    CYS   50 - HB2   TRP   49   3.97 +/- 0.70  42.228% *  2.8614% (0.15   1.0   3.62   5.41) =   2.147%  kept
          HE22  GLN   30 - HB2   TRP   49  23.34 +/- 4.12   0.382% *  0.0947% (0.92   1.0   0.02   0.02) =   0.001%
          HD22  ASN   69 - HB2   TRP   49  24.59 +/- 7.04   0.641% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.76, residual support = 85.2:
      O   HD1   TRP   49 - HB2   TRP   49   3.76 +/- 0.26  83.100% * 99.6923% (0.80  10.0   4.76  85.26) =  99.979%  kept
          HD2   HIS   22 - HB2   TRP   49  20.98 +/- 5.64  12.399% *  0.1149% (0.92   1.0   0.02   0.02) =   0.017%
          HD21  ASN   35 - HB2   TRP   49  32.11 +/- 6.24   1.387% *  0.1178% (0.95   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB2   TRP   49  18.74 +/- 5.52   1.628% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   TRP   49  20.62 +/- 4.80   1.485% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 4.1, residual support = 84.3:
      O   HN    TRP   49 - HB3   TRP   49   3.00 +/- 0.35  70.664% * 96.9977% (0.79  10.0   4.11  85.26) =  98.808%  kept
          HN    CYS   50 - HB3   TRP   49   4.15 +/- 0.35  28.626% *  2.8874% (0.13   1.0   3.65   5.41) =   1.192%  kept
          HE22  GLN   30 - HB3   TRP   49  23.24 +/- 4.05   0.330% *  0.0947% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  24.89 +/- 6.59   0.381% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 4.77, residual support = 85.2:
      O   HD1   TRP   49 - HB3   TRP   49   2.84 +/- 0.15  82.249% * 99.6923% (0.67  10.0   4.77  85.26) =  99.976%  kept
          HD2   HIS   22 - HB3   TRP   49  20.82 +/- 5.95  16.070% *  0.1149% (0.77   1.0   0.02   0.02) =   0.023%
          HD21  ASN   35 - HB3   TRP   49  31.95 +/- 6.02   0.483% *  0.1178% (0.79   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   49  19.05 +/- 5.24   0.525% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  20.30 +/- 5.01   0.672% *  0.0192% (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 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.714, support = 0.02, residual support = 2.06:
          HB2   PRO   52 - HB3   TRP   49  10.46 +/- 1.24  64.645% * 45.9163% (0.72   0.02   2.93) =  70.014%  kept
          HB2   ASP-  62 - HB3   TRP   49  17.13 +/- 4.21  26.026% * 45.9163% (0.72   0.02   0.02) =  28.188%  kept
          HG2   MET   96 - HB3   TRP   49  21.30 +/- 2.49   9.329% *  8.1674% (0.13   0.02   0.02) =   1.797%  kept
    Distance limit 3.94 A violated in 20 structures by 6.15 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.534, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  13.19 +/- 1.01  24.232% * 16.1708% (0.47   0.02   0.02) =  23.339%  kept
          QE    LYS+ 112 - HB3   TRP   49  14.67 +/- 3.05  24.209% * 16.1708% (0.47   0.02   0.02) =  23.317%  kept
          QG    GLU-  79 - HB3   TRP   49  14.79 +/- 4.68  27.026% * 13.9029% (0.41   0.02   0.02) =  22.379%  kept
          HB    VAL  107 - HB3   TRP   49  18.84 +/- 2.54  10.852% * 27.0190% (0.79   0.02   0.02) =  17.464%  kept
          QG    GLN   32 - HB3   TRP   49  28.18 +/- 5.21   9.144% * 22.8711% (0.67   0.02   0.02) =  12.457%  kept
          HG2   GLU-  29 - HB3   TRP   49  28.42 +/- 5.57   4.536% *  3.8655% (0.11   0.02   0.02) =   1.044%  kept
    Distance limit 4.00 A violated in 20 structures by 6.24 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.63, residual support = 7.13:
          QB    ALA   47 - QB    CYS   50   3.65 +/- 0.71  82.906% * 98.8272% (0.65   3.64   7.13) =  99.920%  kept
          QB    ALA   64 - QB    CYS   50  10.76 +/- 2.15   6.339% *  0.5436% (0.65   0.02   0.02) =   0.042%
          QG1   VAL   42 - QB    CYS   50  11.46 +/- 1.76   4.361% *  0.4421% (0.53   0.02   0.02) =   0.024%
          HG2   LYS+ 112 - QB    CYS   50  11.41 +/- 2.60   6.394% *  0.1871% (0.22   0.02   0.02) =   0.015%
    Distance limit 3.64 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.983, support = 1.54, residual support = 7.69:
        T HB2   CYS   53 - QB    CYS   50   3.11 +/- 0.91  59.647% * 89.6384% (1.00 10.00   1.50   8.12) =  94.705%  kept
          HD3   PRO   52 - QB    CYS   50   4.69 +/- 1.37  29.583% * 10.0865% (0.73  1.00   2.32   0.12) =   5.285%  kept
          HD2   PRO   58 - QB    CYS   50   9.45 +/- 2.00   4.973% *  0.0583% (0.49  1.00   0.02   0.02) =   0.005%
          HA    GLU- 100 - QB    CYS   50  24.10 +/- 4.50   2.247% *  0.0450% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - QB    CYS   50  16.48 +/- 3.00   1.126% *  0.0492% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  17.58 +/- 3.75   2.002% *  0.0267% (0.22  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  21.21 +/- 3.03   0.422% *  0.0959% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.796, support = 1.61, residual support = 7.71:
      O   HN    CYS   50 - QB    CYS   50   2.81 +/- 0.32  78.337% * 88.5045% (0.80  10.0   1.58   7.78) =  96.776%  kept
          HN    TRP   49 - QB    CYS   50   4.52 +/- 0.44  20.235% * 11.4128% (0.65   1.0   2.52   5.41) =   3.224%  kept
          HN    VAL   83 - QB    CYS   50  15.77 +/- 3.30   1.037% *  0.0478% (0.34   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    CYS   50  18.42 +/- 2.79   0.391% *  0.0349% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  98.036% * 97.0144% (0.87  10.0 10.00   2.81  10.14) =  99.988%  kept
        T QB    SER   48 - HA1   GLY   51   8.70 +/- 0.71   0.851% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QB    SER  117 - HA1   GLY   51  17.65 +/- 1.82   0.108% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   85 - HA1   GLY   51  20.39 +/- 3.41   0.083% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  16.15 +/- 2.05   0.147% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  20.37 +/- 4.43   0.148% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  19.03 +/- 4.27   0.170% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  22.46 +/- 4.53   0.085% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  14.02 +/- 2.88   0.327% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  27.44 +/- 4.91   0.045% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.971, support = 3.01, residual support = 33.4:
          HB3   CYS   53 - HB2   PRO   52   6.35 +/- 1.05  13.556% * 76.5499% (0.99   4.59  54.77) =  60.748%  kept
          QB    PHE   55 - HB2   PRO   52   4.23 +/- 0.67  42.419% * 10.4561% (0.92   0.67   0.42) =  25.966%  kept
          HD3   PRO   93 - HB2   PRO   52  10.07 +/- 6.30  25.142% *  6.9558% (0.98   0.42   0.02) =  10.238%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.13 +/- 1.17  10.255% *  4.9365% (0.97   0.30   1.85) =   2.964%  kept
          HB2   PHE   59 - HB2   PRO   52  10.74 +/- 2.17   3.253% *  0.2314% (0.69   0.02   0.02) =   0.044%
          HD3   PRO   68 - HB2   PRO   52  21.22 +/- 5.27   0.895% *  0.3250% (0.97   0.02   0.02) =   0.017%
          HD3   PRO   93 - HG2   MET   96  14.46 +/- 1.05   1.099% *  0.0970% (0.29   0.02   0.02) =   0.006%
          HD3   PRO   68 - HG2   MET   96  17.21 +/- 2.87   1.006% *  0.0955% (0.28   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG2   MET   96  16.04 +/- 3.65   0.973% *  0.0680% (0.20   0.02   0.02) =   0.004%
          HB3   CYS   53 - HG2   MET   96  17.37 +/- 2.28   0.658% *  0.0981% (0.29   0.02   0.02) =   0.004%
          QB    PHE   55 - HG2   MET   96  18.45 +/- 2.27   0.473% *  0.0913% (0.27   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG2   MET   96  23.18 +/- 1.79   0.271% *  0.0955% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.367, support = 1.49, residual support = 12.9:
        T HD3   PRO   93 - HB3   PRO   52   9.85 +/- 5.51  23.202% * 36.8809% (0.41 10.00   0.39   0.02) =  48.476%  kept
          HB3   CYS   53 - HB3   PRO   52   6.23 +/- 0.57  14.198% * 28.6672% (0.25  1.00   4.95  54.77) =  23.058%  kept
          QB    PHE   55 - HB3   PRO   52   4.29 +/- 0.78  42.237% *  6.9382% (0.53  1.00   0.57   0.42) =  16.601%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.20 +/- 1.13   8.307% * 24.8251% (0.20 10.00   0.54   1.85) =  11.683%  kept
          HB2   PHE   59 - HB3   PRO   52  10.65 +/- 2.53   3.926% *  0.3718% (0.80  1.00   0.02   0.02) =   0.083%
        T HD3   PRO   68 - HB3   PRO   52  21.34 +/- 5.24   0.698% *  2.0816% (0.45 10.00   0.02   0.02) =   0.082%
        T HD2   ARG+  54 - QB    LYS+  81  21.57 +/- 4.96   1.596% *  0.1054% (0.02 10.00   0.02   0.02) =   0.010%
          HD3   PRO   93 - QB    LYS+  81  13.74 +/- 2.42   1.680% *  0.0219% (0.05  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - QB    LYS+  81  16.37 +/- 4.07   2.378% *  0.0133% (0.03  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - QB    LYS+  81  18.58 +/- 2.85   0.823% *  0.0280% (0.06  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - QB    LYS+  81  20.09 +/- 2.13   0.488% *  0.0426% (0.09  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - QB    LYS+  81  21.99 +/- 3.39   0.467% *  0.0239% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.705, support = 0.403, residual support = 0.0366:
          HB3   LEU  115 - HB2   PRO   52  11.09 +/- 3.81   7.674% * 54.6911% (0.84   0.46   0.02) =  72.191%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.04 +/- 1.05   4.270% * 20.0262% (0.29   0.48   0.13) =  14.707%  kept
          QG    LYS+  66 - HB2   PRO   52  16.49 +/- 3.85   5.927% *  2.3928% (0.84   0.02   0.02) =   2.439%  kept
          QB    ALA  110 - HB2   PRO   52   9.96 +/- 6.24  17.316% *  0.7965% (0.28   0.02   0.02) =   2.372%  kept
          HG    LEU   73 - HG2   MET   96  11.25 +/- 2.45   8.104% *  0.8121% (0.28   0.02   0.02) =   1.132%  kept
          HG    LEU  115 - HB2   PRO   52  11.04 +/- 3.66   8.062% *  0.7965% (0.28   0.02   0.02) =   1.105%  kept
          QB    ALA   61 - HB2   PRO   52  12.25 +/- 2.14   3.865% *  1.3944% (0.49   0.02   0.02) =   0.927%  kept
          HG    LEU   40 - HG2   MET   96  11.01 +/- 2.46   5.881% *  0.7029% (0.25   0.02   0.02) =   0.711%  kept
          HG    LEU   73 - HB2   PRO   52  20.67 +/- 3.95   1.089% *  2.7646% (0.97   0.02   0.02) =   0.518%  kept
          QB    ALA   61 - HG2   MET   96  12.68 +/- 3.10   7.320% *  0.4096% (0.14   0.02   0.02) =   0.516%  kept
          QB    ALA  120 - HB2   PRO   52  14.38 +/- 2.66   3.178% *  0.7965% (0.28   0.02   0.02) =   0.435%  kept
          HG    LEU   40 - HB2   PRO   52  21.98 +/- 4.22   1.016% *  2.3928% (0.84   0.02   0.02) =   0.418%  kept
          HG    LEU   80 - HB2   PRO   52  20.04 +/- 4.06   2.398% *  0.8842% (0.31   0.02   0.02) =   0.365%  kept
          HG    LEU   67 - HB2   PRO   52  20.13 +/- 4.06   0.947% *  2.0802% (0.73   0.02   0.02) =   0.339%  kept
          HB3   LEU  115 - HG2   MET   96  14.09 +/- 3.10   2.486% *  0.7029% (0.25   0.02   0.16) =   0.301%  kept
          HB3   LEU   67 - HB2   PRO   52  20.37 +/- 3.91   0.710% *  1.8532% (0.65   0.02   0.02) =   0.226%  kept
          HG    LEU   67 - HG2   MET   96  15.17 +/- 2.65   2.118% *  0.6111% (0.21   0.02   0.02) =   0.223%  kept
          QG    LYS+  66 - HG2   MET   96  16.54 +/- 2.77   1.731% *  0.7029% (0.25   0.02   0.02) =   0.209%  kept
          QB    ALA  110 - HG2   MET   96  12.54 +/- 1.48   3.927% *  0.2340% (0.08   0.02   0.02) =   0.158%  kept
          HB3   LEU   67 - HG2   MET   96  15.53 +/- 2.50   1.482% *  0.5444% (0.19   0.02   0.02) =   0.139%  kept
          HG    LEU   80 - HG2   MET   96  15.05 +/- 3.36   2.950% *  0.2597% (0.09   0.02   0.02) =   0.132%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.42 +/- 3.83   0.236% *  2.8583% (1.00   0.02   0.02) =   0.116%  kept
          QB    ALA  120 - HG2   MET   96  15.19 +/- 3.72   2.517% *  0.2340% (0.08   0.02   0.02) =   0.101%  kept
          HG    LEU  115 - HG2   MET   96  14.97 +/- 3.14   1.943% *  0.2340% (0.08   0.02   0.16) =   0.078%
          HG12  ILE   19 - HB2   PRO   52  23.84 +/- 3.75   0.663% *  0.6378% (0.22   0.02   0.02) =   0.073%
          HG12  ILE   19 - HG2   MET   96  17.47 +/- 3.42   2.189% *  0.1874% (0.07   0.02   0.02) =   0.071%
    Distance limit 3.21 A violated in 12 structures by 2.06 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.735, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52   9.82 +/- 3.74  23.833% *  5.3763% (0.65  1.00   0.02   0.02) =  17.539%  kept
          HB2   LEU   63 - HD2   PRO   52  13.92 +/- 3.95  12.344% *  8.3107% (1.00  1.00   0.02   0.02) =  14.043%  kept
        T QB    ALA   88 - HD2   PRO   52  16.22 +/- 3.21   5.743% * 14.5547% (0.18 10.00   0.02   0.02) =  11.442%  kept
          QB    ALA  124 - HD2   PRO   52  20.01 +/- 5.61  10.994% *  7.4533% (0.90  1.00   0.02   0.02) =  11.216%  kept
          QB    ALA   84 - HD2   PRO   52  13.87 +/- 3.26  10.814% *  5.7087% (0.69  1.00   0.02   0.02) =   8.451%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.95 +/- 1.94   7.417% *  8.1462% (0.98  1.00   0.02   0.02) =   8.271%  kept
          HB3   LEU   80 - HD2   PRO   52  17.69 +/- 3.53   7.113% *  8.1462% (0.98  1.00   0.02   0.02) =   7.932%  kept
          HG2   LYS+ 111 - HD2   PRO   52  15.13 +/- 4.19   7.372% *  6.9417% (0.84  1.00   0.02   0.02) =   7.005%  kept
          HB2   LEU   31 - HD2   PRO   52  25.80 +/- 4.40   3.962% *  7.4533% (0.90  1.00   0.02   0.02) =   4.042%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  20.21 +/- 3.11   2.192% * 12.8231% (0.15 10.00   0.02   0.02) =   3.848%  kept
          HG    LEU   98 - HD2   PRO   52  22.92 +/- 4.18   3.998% *  6.6547% (0.80  1.00   0.02   0.02) =   3.641%  kept
          HG2   LYS+  99 - HD2   PRO   52  27.46 +/- 4.77   3.130% *  4.7052% (0.57  1.00   0.02   0.02) =   2.016%  kept
          HG2   LYS+  38 - HD2   PRO   52  30.42 +/- 4.78   1.088% *  3.7260% (0.45  1.00   0.02   0.02) =   0.555%  kept
    Distance limit 3.68 A violated in 20 structures by 3.71 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.39, residual support = 222.5:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  98.025% * 97.1447% (0.80  10.0 10.00   7.39 222.54) =  99.988%  kept
        T HA    SER   48 - HD3   PRO   52   8.80 +/- 0.97   0.871% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   SER   82 - HD3   PRO   52  22.44 +/- 3.75   0.066% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HD3   PRO   52  23.05 +/- 4.48   0.082% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  19.78 +/- 4.09   0.113% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  18.71 +/- 4.65   0.289% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.34 +/- 4.85   0.061% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  22.08 +/- 3.51   0.075% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  15.50 +/- 2.60   0.187% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.20 +/- 4.45   0.043% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  19.16 +/- 3.36   0.105% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  31.08 +/- 4.24   0.033% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  27.30 +/- 4.87   0.051% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.37, residual support = 221.0:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  91.968% * 88.4395% (0.87  10.0 10.00   7.39 222.54) =  99.064%  kept
          HB2   CYS   53 - HD2   PRO   52   4.27 +/- 0.59   7.451% * 10.3028% (0.38   1.0  1.00   5.38  54.77) =   0.935%  kept
        T HB3   SER   82 - HD2   PRO   52  21.37 +/- 3.66   0.071% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  15.84 +/- 3.46   0.184% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  25.78 +/- 3.44   0.042% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  15.28 +/- 2.12   0.178% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  26.21 +/- 4.04   0.042% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  27.65 +/- 4.84   0.036% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  28.97 +/- 3.99   0.028% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.8:
      O   HA1   GLY   51 - HD3   PRO   52   2.66 +/- 0.58  94.146% * 97.0168% (0.76  10.0  1.00   3.95  13.78) =  99.990%  kept
        T HA    ILE  103 - HD3   PRO   52  24.95 +/- 3.49   0.191% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HA    THR   39 - HD3   PRO   52  27.71 +/- 4.78   0.171% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HD3   PRO   52  11.29 +/- 1.63   2.279% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HD3   PRO   52  15.20 +/- 3.88   0.873% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  18.96 +/- 3.92   0.748% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  15.08 +/- 1.89   0.773% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  20.36 +/- 3.96   0.426% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD3   PRO   52  36.35 +/- 7.48   0.070% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  22.86 +/- 2.83   0.242% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  34.42 +/- 6.55   0.082% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.16, residual support = 13.8:
      O   HA1   GLY   51 - HD2   PRO   52   3.28 +/- 0.45  91.967% * 92.3448% (0.34  10.0  1.00   5.16  13.78) =  99.942%  kept
        T HA    SER   85 - HD2   PRO   52  19.56 +/- 3.71   0.801% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.025%
        T HA    ILE  103 - HD2   PRO   52  23.73 +/- 3.42   0.456% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.013%
          HB    THR   77 - HD2   PRO   52  13.95 +/- 3.76   2.204% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - HD2   PRO   52  13.66 +/- 1.80   1.647% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HA    THR   39 - HD2   PRO   52  26.37 +/- 4.42   0.313% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  79 - HD2   PRO   52  17.77 +/- 3.94   1.332% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HD2   PRO   52  21.95 +/- 2.64   0.424% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  35.18 +/- 7.11   0.127% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.85 +/- 4.90   0.204% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  33.22 +/- 6.17   0.130% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.65 +/- 3.30   0.397% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 222.5:
      O   HG2   PRO   52 - HD3   PRO   52   2.85 +/- 0.18  88.873% * 99.6603% (0.90  10.0   6.60 222.54) =  99.994%  kept
          HG2   MET   92 - HD3   PRO   52  11.93 +/- 5.87   8.014% *  0.0417% (0.38   1.0   0.02   0.02) =   0.004%
          QG    GLU- 114 - HD3   PRO   52  14.00 +/- 2.87   1.100% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD3   PRO   52  15.09 +/- 2.45   1.154% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  18.14 +/- 3.78   0.632% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.36 +/- 5.16   0.140% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.05 +/- 4.49   0.086% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 222.5:
      O   HG3   PRO   52 - HD3   PRO   52   2.36 +/- 0.18  95.523% * 99.3977% (0.97  10.0  1.00   6.60 222.54) =  99.993%  kept
        T HB2   PRO   93 - HD3   PRO   52  10.92 +/- 4.01   2.379% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          HG2   PRO   58 - HD3   PRO   52  13.81 +/- 2.34   0.931% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD3   PRO   52  23.99 +/- 7.33   0.569% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  36.41 +/- 8.19   0.123% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  29.92 +/- 5.86   0.090% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.76 +/- 4.73   0.255% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.30 +/- 3.99   0.131% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.76, residual support = 221.7:
      O   HB3   PRO   52 - HD3   PRO   52   3.86 +/- 0.29  70.426% * 96.7762% (0.57  10.0   6.79 222.54) =  99.601%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.43 +/- 0.95  12.963% *  1.9798% (0.95   1.0   0.24   1.85) =   0.375%  kept
          HG    LEU  123 - HD3   PRO   52  18.96 +/- 5.46   3.699% *  0.0968% (0.57   1.0   0.02   0.02) =   0.005%
          HG3   PRO   68 - HD3   PRO   52  22.98 +/- 7.28   1.951% *  0.1676% (0.98   1.0   0.02   0.02) =   0.005%
          HB3   GLN   90 - HD3   PRO   52  16.64 +/- 4.76   1.993% *  0.1306% (0.76   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HD3   PRO   52  10.88 +/- 1.23   3.793% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD3   PRO   52  17.43 +/- 4.06   1.246% *  0.1174% (0.69   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   PRO   52  17.99 +/- 3.01   0.864% *  0.1106% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   PRO   52  22.02 +/- 2.90   0.534% *  0.1578% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HD3   PRO   52  25.34 +/- 3.08   0.352% *  0.1650% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  26.57 +/- 3.48   0.387% *  0.1428% (0.84   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HD3   PRO   52  23.57 +/- 3.52   0.875% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.15 +/- 3.44   0.470% *  0.0528% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  30.92 +/- 5.54   0.448% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.07, residual support = 54.8:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.02  97.805% * 99.2989% (0.61   6.07  54.77) =  99.995%  kept
          HN    LEU   80 - HD3   PRO   52  18.15 +/- 3.83   1.187% *  0.2024% (0.38   0.02   0.02) =   0.002%
          HN    THR   26 - HD3   PRO   52  25.40 +/- 4.48   0.448% *  0.3488% (0.65   0.02   0.02) =   0.002%
          HN    ALA   34 - HD3   PRO   52  28.14 +/- 4.25   0.561% *  0.1499% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.24 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 = 3.59, residual support = 13.8:
          HN    GLY   51 - HD3   PRO   52   2.50 +/- 0.88  99.500% * 99.4795% (0.92   3.59  13.78) =  99.997%  kept
          HN    VAL  107 - HD3   PRO   52  17.77 +/- 3.19   0.500% *  0.5205% (0.87   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.629, support = 1.61, residual support = 1.67:
          HN    ARG+  54 - HD2   PRO   52   4.45 +/- 0.31  63.040% * 59.7491% (0.61   1.76   1.85) =  89.025%  kept
          HN    PHE   55 - HD2   PRO   52   5.98 +/- 0.33  27.038% *  9.1222% (0.73   0.22   0.42) =   5.830%  kept
          HN    ASP-  62 - HD2   PRO   52  13.46 +/- 3.16   7.316% * 29.5480% (0.92   0.57   0.02) =   5.109%  kept
          HN    LEU   31 - HD2   PRO   52  24.98 +/- 3.88   1.063% *  1.0801% (0.97   0.02   0.02) =   0.027%
          HN    ALA   88 - HD2   PRO   52  19.31 +/- 3.09   1.001% *  0.2791% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  38 - HD2   PRO   52  29.35 +/- 4.33   0.542% *  0.2215% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.59 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 54.8:
          HN    CYS   53 - HD2   PRO   52   2.30 +/- 0.07  99.326% * 99.4794% (0.61   8.19  54.77) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  16.98 +/- 3.84   0.385% *  0.1503% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  24.18 +/- 4.22   0.135% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  26.82 +/- 3.82   0.154% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.921, support = 1.49, residual support = 8.09:
          QB    CYS   50 - HB3   CYS   53   3.73 +/- 0.97  75.242% * 96.8463% (0.92   1.50   8.12) =  99.710%  kept
          HB3   ASP-  78 - HB3   CYS   53  14.61 +/- 5.31  10.130% *  0.7924% (0.57   0.02   0.02) =   0.110%  kept
          HB3   ASN   69 - HB3   CYS   53  19.96 +/- 5.49   9.114% *  0.7924% (0.57   0.02   0.02) =   0.099%
          QE    LYS+  74 - HB3   CYS   53  12.10 +/- 2.82   4.236% *  1.3239% (0.95   0.02   0.02) =   0.077%
          HB2   PHE   72 - HB3   CYS   53  16.05 +/- 1.62   1.278% *  0.2451% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.15 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.11:
        T QB    CYS   50 - HB2   CYS   53   3.11 +/- 0.91  88.524% * 99.6254% (0.92 10.00   1.50   8.12) =  99.989%  kept
          HB3   ASN   69 - HB2   CYS   53  20.09 +/- 5.37   2.823% *  0.1389% (0.97  1.00   0.02   0.02) =   0.004%
          QE    LYS+  74 - HB2   CYS   53  12.20 +/- 2.88   2.950% *  0.1291% (0.90  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HB2   CYS   53  14.74 +/- 5.18   4.722% *  0.0252% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB2   CYS   53  16.33 +/- 1.58   0.981% *  0.0815% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.931, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   4.32 +/- 1.51  67.902% * 41.1882% (0.95 10.00   0.02   0.02) =  95.333%  kept
          QB    ALA   91 - HA    CYS   53  11.78 +/- 3.50  11.178% *  3.9049% (0.90  1.00   0.02   0.02) =   1.488%  kept
        T HG13  ILE   19 - HA    CYS   53  20.49 +/- 2.42   1.587% * 24.6510% (0.57 10.00   0.02   0.02) =   1.334%  kept
        T HG    LEU   71 - HA    CYS   53  20.93 +/- 2.71   1.199% * 13.4389% (0.31 10.00   0.02   0.02) =   0.549%  kept
          HG2   LYS+  74 - HA    CYS   53  14.36 +/- 3.06   8.199% *  1.4852% (0.34  1.00   0.02   0.02) =   0.415%  kept
          QG2   THR   23 - HA    CYS   53  18.41 +/- 4.27   4.253% *  1.9521% (0.45  1.00   0.02   0.02) =   0.283%  kept
          QB    ALA   34 - HA    CYS   53  19.22 +/- 2.47   1.794% *  3.4865% (0.80  1.00   0.02   0.02) =   0.213%  kept
          QG2   THR   39 - HA    CYS   53  19.77 +/- 2.54   1.453% *  3.9049% (0.90  1.00   0.02   0.02) =   0.193%  kept
          HG3   LYS+  99 - HA    CYS   53  24.64 +/- 4.18   1.836% *  1.6341% (0.38  1.00   0.02   0.02) =   0.102%  kept
          HG3   LYS+  38 - HA    CYS   53  28.03 +/- 4.13   0.598% *  4.3541% (1.00  1.00   0.02   0.02) =   0.089%
    Distance limit 3.35 A violated in 10 structures by 1.25 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.77, residual support = 44.1:
      O   HN    CYS   53 - HA    CYS   53   2.73 +/- 0.05  98.892% * 99.7861% (0.61  10.0   4.77  44.07) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  16.99 +/- 3.52   0.705% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  23.00 +/- 3.65   0.244% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.60 +/- 2.70   0.159% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.9, residual support = 44.1:
      O   HN    CYS   53 - HB2   CYS   53   2.58 +/- 0.44  97.049% * 99.7861% (0.61  10.0   4.90  44.07) =  99.998%  kept
          HN    LEU   80 - HB2   CYS   53  15.96 +/- 4.12   2.506% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    THR   26 - HB2   CYS   53  22.18 +/- 3.84   0.293% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.32 +/- 2.63   0.152% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.955, support = 5.44, residual support = 31.1:
          HN    ARG+  54 - HB2   CYS   53   3.52 +/- 0.40  69.256% * 92.5601% (0.97   5.53  31.64) =  98.139%  kept
          HN    PHE   55 - HB2   CYS   53   5.28 +/- 0.30  21.223% *  4.8280% (0.31   0.90   0.02) =   1.569%  kept
          HN    ASP-  62 - HB2   CYS   53  10.05 +/- 2.63   9.025% *  2.1042% (0.95   0.13   0.02) =   0.291%  kept
          HN    LEU   31 - HB2   CYS   53  22.64 +/- 2.74   0.293% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   CYS   53  26.75 +/- 3.23   0.204% *  0.1965% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 0.866, support = 5.5, residual support = 31.5:
          HN    ARG+  54 - HB3   CYS   53   3.83 +/- 0.47  83.269% * 96.6630% (0.87   5.53  31.64) =  99.456%  kept
          HN    ASP-  62 - HB3   CYS   53   9.92 +/- 2.70  15.827% *  2.7672% (0.53   0.26   0.02) =   0.541%  kept
          HN    LYS+  38 - HB3   CYS   53  26.47 +/- 3.33   0.337% *  0.3891% (0.97   0.02   0.02) =   0.002%
          HN    LEU   31 - HB3   CYS   53  22.46 +/- 2.77   0.568% *  0.1808% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.91, residual support = 169.4:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.83 +/- 0.19  88.254% * 99.2662% (0.87  10.0 10.00   4.92 169.52) =  99.940%  kept
          QB    ALA   57 - HD2   ARG+  54   7.35 +/- 1.41   8.471% *  0.6057% (0.20   1.0  1.00   0.53   0.02) =   0.059%
          HB3   LEU  123 - HD2   ARG+  54  19.60 +/- 4.91   2.510% *  0.0513% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  18.71 +/- 4.05   0.615% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.23 +/- 3.25   0.151% *  0.0513% (0.45   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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.62, residual support = 168.6:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  93.893% * 80.9834% (0.87  10.0 10.00   3.62 169.52) =  99.351%  kept
          HB3   CYS   53 - HD3   ARG+  54   7.85 +/- 1.30   2.558% * 12.0963% (0.80   1.0  1.00   3.24  31.64) =   0.404%  kept
          QB    PHE   55 - HD3   ARG+  54   6.22 +/- 0.88   2.748% *  6.7876% (0.49   1.0  1.00   2.99   4.32) =   0.244%  kept
          HD3   PRO   93 - HD3   ARG+  54  15.61 +/- 4.78   0.279% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.81 +/- 1.60   0.372% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  20.52 +/- 4.93   0.148% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.62, residual support = 169.5:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.622% * 99.9131% (1.00  10.0 10.00   3.62 169.52) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  24.06 +/- 7.80   0.378% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 169.5:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.60 +/- 0.27  85.827% * 99.8484% (0.87  10.0 10.00   3.74 169.52) =  99.996%  kept
          QB    ALA   57 - HD3   ARG+  54   7.54 +/- 1.73  12.083% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  123 - HD3   ARG+  54  19.92 +/- 4.66   1.602% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  19.19 +/- 4.10   0.371% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.04 +/- 3.51   0.117% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 169.5:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.69 +/- 0.30  93.346% * 97.6350% (0.49  10.0 10.00   3.89 169.52) =  99.985%  kept
        T HG3   PRO   68 - HD3   ARG+  54  21.63 +/- 5.94   0.595% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   56 - HD3   ARG+  54   9.63 +/- 0.87   2.191% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  81 - HD3   ARG+  54  21.51 +/- 5.33   0.687% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HD3   ARG+  54  12.28 +/- 1.79   1.265% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD3   ARG+  54  17.44 +/- 4.84   0.625% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   ARG+  54  20.53 +/- 2.20   0.243% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  22.37 +/- 4.55   0.251% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.45 +/- 4.36   0.222% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.33 +/- 2.79   0.203% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  30.44 +/- 4.91   0.113% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.69 +/- 3.85   0.152% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  27.69 +/- 2.81   0.107% *  0.0899% (0.45   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 169.5:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.33 +/- 0.51  92.200% * 99.0727% (0.73  10.0   4.04 169.52) =  99.993%  kept
          HB    ILE  119 - HD3   ARG+  54  15.75 +/- 2.35   1.184% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HD3   ARG+  54  22.00 +/- 6.01   1.333% *  0.0883% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HD3   ARG+  54  14.76 +/- 3.50   1.804% *  0.0561% (0.41   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HD3   ARG+  54  21.83 +/- 3.13   0.508% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  17.48 +/- 3.34   1.017% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HD3   ARG+  54  25.43 +/- 4.41   0.328% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.81 +/- 4.26   0.284% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  32.10 +/- 4.73   0.138% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  23.50 +/- 5.07   0.480% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  25.60 +/- 4.23   0.298% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  28.66 +/- 7.09   0.425% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 169.5:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  86.104% * 97.1361% (0.92  10.0 10.00   4.97 169.52) =  99.969%  kept
        T HG    LEU  123 - HG3   ARG+  54  17.12 +/- 4.92  10.910% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.027%
        T HG3   PRO   68 - HG3   ARG+  54  21.52 +/- 6.08   0.181% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HG3   ARG+  54   8.94 +/- 0.84   0.718% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  26.48 +/- 3.25   0.032% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.77 +/- 1.27   1.399% *  0.0208% (0.20   1.0  1.00   0.02   1.85) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  20.82 +/- 4.85   0.153% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  21.35 +/- 4.32   0.086% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.87 +/- 2.48   0.068% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.66 +/- 3.17   0.055% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  16.36 +/- 4.81   0.201% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.06 +/- 2.72   0.027% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.01 +/- 3.64   0.046% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  30.38 +/- 4.26   0.021% *  0.0512% (0.49   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.13, residual support = 169.5:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.61 +/- 0.28  94.957% * 97.7423% (0.31  10.0   5.13 169.52) =  99.990%  kept
          HB    ILE  119 - HG3   ARG+  54  14.89 +/- 2.68   1.694% *  0.1921% (0.61   1.0   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HG3   ARG+  54  16.56 +/- 3.10   0.631% *  0.2420% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG3   ARG+  54  21.91 +/- 6.20   0.490% *  0.3104% (0.98   1.0   0.02   0.02) =   0.002%
          HG3   GLN   30 - HG3   ARG+  54  25.05 +/- 3.78   0.208% *  0.2840% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG3   ARG+  54  27.96 +/- 6.45   0.354% *  0.1541% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   ARG+  54  23.46 +/- 4.22   0.205% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  16.25 +/- 1.99   0.550% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.36 +/- 3.53   0.174% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  21.06 +/- 3.40   0.252% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  31.72 +/- 4.31   0.131% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  25.64 +/- 3.39   0.127% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  22.97 +/- 3.58   0.230% *  0.0489% (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 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 169.5:
      O   HA    ARG+  54 - HG3   ARG+  54   3.42 +/- 0.65  95.061% * 99.5710% (1.00  10.0   5.75 169.52) =  99.997%  kept
          HA    ALA  124 - HG3   ARG+  54  22.70 +/- 5.49   0.990% *  0.0976% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HG3   ARG+  54  15.43 +/- 1.72   1.414% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   ARG+  54  22.07 +/- 4.86   0.784% *  0.0644% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HG3   ARG+  54  26.74 +/- 4.11   0.341% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.02 +/- 1.86   0.869% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.80 +/- 3.12   0.248% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  33.44 +/- 3.70   0.141% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  31.85 +/- 3.24   0.151% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 169.5:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.60 +/- 0.27  98.442% * 99.9462% (0.76  10.0 10.00   3.74 169.52) =  99.999%  kept
          HB3   HIS   22 - HG3   ARG+  54  23.05 +/- 7.81   1.558% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.859, support = 4.88, residual support = 164.0:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.83 +/- 0.19  74.894% * 77.0316% (0.87  10.0 10.00   4.92 169.52) =  96.380%  kept
          QB    PHE   55 - HG3   ARG+  54   5.56 +/- 1.07  15.156% *  8.0576% (0.49   1.0  1.00   3.73   4.32) =   2.040%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.84 +/- 0.79   6.386% * 14.7846% (0.80   1.0  1.00   4.16  31.64) =   1.577%  kept
          HD3   PRO   93 - HG3   ARG+  54  14.48 +/- 4.90   1.519% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   ARG+  54  11.11 +/- 1.58   1.600% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   ARG+  54  20.40 +/- 4.94   0.446% *  0.0503% (0.57   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 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.68, residual support = 169.5:
          HN    ARG+  54 - HG3   ARG+  54   3.60 +/- 0.70  96.520% * 99.3354% (0.87   6.68 169.52) =  99.993%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.29 +/- 1.81   2.730% *  0.1803% (0.53   0.02   0.02) =   0.005%
          HN    LYS+  38 - HG3   ARG+  54  30.28 +/- 3.40   0.253% *  0.3307% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   ARG+  54  26.75 +/- 3.59   0.497% *  0.1536% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 169.5:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  93.911% * 98.1061% (0.87  10.0 10.00   4.97 169.52) =  99.991%  kept
        T HB3   LEU  123 - HG2   ARG+  54  18.60 +/- 5.12   1.003% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LEU  123 - HG3   PRO   68  20.92 +/- 7.47   0.677% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   ARG+  54   6.54 +/- 1.33   3.421% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   ARG+  54 - HG3   PRO   68  21.52 +/- 6.08   0.196% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  18.06 +/- 3.72   0.163% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.87 +/- 3.25   0.277% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.31 +/- 2.92   0.038% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.51 +/- 5.69   0.060% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  15.51 +/- 2.98   0.254% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.159, support = 3.29, residual support = 36.4:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  72.661% * 33.8555% (0.12  10.0  1.00   2.31  36.42) =  61.886%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.63 +/- 0.30  24.014% * 63.0750% (0.22  10.0  1.00   4.88  36.42) =  38.106%  kept
          HB2   GLN   17 - HG3   PRO   68  12.90 +/- 3.45   0.900% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HG2   ARG+  54  16.19 +/- 3.09   0.139% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   ARG+  54  21.51 +/- 6.06   0.135% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  24.76 +/- 3.61   0.041% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  15.74 +/- 1.96   0.122% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   ARG+  54  21.00 +/- 5.96   0.152% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.64 +/- 6.23   0.068% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   PRO   68  14.38 +/- 4.05   0.228% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  22.93 +/- 4.52   0.052% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  14.24 +/- 2.77   0.258% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  25.13 +/- 3.49   0.031% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  22.37 +/- 3.74   0.057% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  16.82 +/- 3.33   0.191% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.47 +/- 3.85   0.050% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.19 +/- 2.60   0.156% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.79 +/- 3.51   0.301% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.46 +/- 5.22   0.053% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  24.38 +/- 4.60   0.051% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  19.84 +/- 4.22   0.076% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  18.48 +/- 4.83   0.162% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  30.92 +/- 4.53   0.028% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  20.04 +/- 4.30   0.075% *  0.0188% (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 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.727, support = 4.83, residual support = 139.2:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.80 +/- 0.26  34.905% * 68.3787% (0.87  10.0 10.00   4.90 169.52) =  77.888%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.51 +/- 0.29  46.636% * 11.9091% (0.15  10.0  1.00   4.82  36.42) =  18.124%  kept
          QB    PHE   55 - HG2   ARG+  54   5.22 +/- 1.47  11.970% *  6.8152% (0.49   1.0  1.00   3.55   4.32) =   2.662%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.29 +/- 0.72   3.225% * 12.5574% (0.80   1.0  1.00   3.98  31.64) =   1.321%  kept
        T HD2   ARG+  54 - HG3   PRO   68  21.91 +/- 6.12   0.252% *  0.1825% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  14.17 +/- 4.73   0.610% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  10.34 +/- 1.72   0.863% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG2   ARG+  54  19.91 +/- 4.83   0.193% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  18.75 +/- 6.11   0.466% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.26 +/- 5.53   0.448% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.29 +/- 4.27   0.169% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.89 +/- 3.30   0.262% *  0.0052% (0.07   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 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 169.5:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.69 +/- 0.30  99.367% * 99.7339% (0.31  10.0 10.00   3.89 169.52) =  99.998%  kept
        T HD3   ARG+  54 - HG3   PRO   68  21.63 +/- 5.94   0.633% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 169.5:
      O T HA    ARG+  54 - HG2   ARG+  54   2.84 +/- 0.64  87.687% * 97.8074% (1.00  10.0 10.00   5.69 169.52) =  99.980%  kept
        T HA    LEU  115 - HG2   ARG+  54  14.73 +/- 1.82   1.134% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HA    ARG+  54 - HG3   PRO   68  19.59 +/- 5.38   1.658% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  81 - HG2   ARG+  54  21.67 +/- 4.82   0.309% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU  115 - HG3   PRO   68  18.76 +/- 3.83   0.605% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   ARG+  54  22.14 +/- 5.47   0.831% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  24.70 +/- 4.09   0.432% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   PRO   68  21.72 +/- 8.60   2.759% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG3   PRO   68  19.72 +/- 4.79   1.109% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.29 +/- 3.48   1.334% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.46 +/- 1.92   0.676% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.18 +/- 4.13   0.159% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.12 +/- 3.21   0.140% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.97 +/- 3.77   0.373% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  32.75 +/- 3.75   0.083% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  31.09 +/- 3.42   0.099% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  21.89 +/- 3.23   0.279% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  22.26 +/- 4.56   0.333% *  0.0046% (0.05   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 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.58, residual support = 169.5:
          HN    ARG+  54 - HG2   ARG+  54   3.26 +/- 0.57  84.013% * 99.0675% (0.87   6.59 169.52) =  99.986%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.51 +/- 1.88   2.110% *  0.1825% (0.53   0.02   0.02) =   0.005%
          HN    LEU   31 - HG3   PRO   68  17.97 +/- 4.26   8.025% *  0.0415% (0.12   0.02   0.02) =   0.004%
          HN    LYS+  38 - HG3   PRO   68  16.59 +/- 3.29   1.714% *  0.0893% (0.26   0.02   0.02) =   0.002%
          HN    ASP-  62 - HG3   PRO   68  12.61 +/- 2.09   2.788% *  0.0487% (0.14   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG3   PRO   68  20.44 +/- 5.96   0.890% *  0.0803% (0.23   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  29.57 +/- 3.48   0.164% *  0.3347% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  26.14 +/- 3.63   0.297% *  0.1555% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   6.33 +/- 1.03  60.741% * 19.4000% (0.97   0.02   0.02) =  72.719%  kept
          HB3   LEU  123 - HB3   ARG+  54  18.53 +/- 4.85  11.416% * 19.4000% (0.97   0.02   0.02) =  13.667%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  17.95 +/- 3.39   3.562% * 19.7041% (0.98   0.02   0.02) =   4.332%  kept
          HD2   LYS+  74 - HB3   ARG+  54  17.79 +/- 3.72   3.919% * 14.5972% (0.73   0.02   0.02) =   3.530%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  18.29 +/- 3.59   9.850% *  3.9782% (0.20   0.02   0.02) =   2.418%  kept
          QD    LYS+  65 - HB3   ARG+  54  15.10 +/- 2.63   9.440% *  3.5205% (0.18   0.02   0.02) =   2.051%  kept
          QD    LYS+  33 - HB3   ARG+  54  25.61 +/- 3.00   1.071% * 19.4000% (0.97   0.02   0.02) =   1.282%  kept
    Distance limit 3.13 A violated in 19 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 169.5:
      O   HN    ARG+  54 - HB3   ARG+  54   3.16 +/- 0.57  97.148% * 99.7769% (0.87  10.0   5.36 169.52) =  99.998%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.76 +/- 1.69   2.400% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ARG+  54  29.76 +/- 4.08   0.188% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.52 +/- 3.57   0.264% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 169.5:
      O   HN    ARG+  54 - HB2   ARG+  54   2.47 +/- 0.41  93.863% * 99.6984% (0.87  10.0   6.60 169.52) =  99.999%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.68 +/- 1.95   1.047% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   GLU-  14  14.46 +/- 3.33   1.053% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  14.67 +/- 3.00   1.608% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  19.61 +/- 5.65   0.945% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  29.66 +/- 4.01   0.068% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.22 +/- 3.58   0.105% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  20.15 +/- 4.31   0.380% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.64 +/- 7.94   0.307% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  28.01 +/- 5.50   0.142% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  20.41 +/- 4.77   0.358% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.54 +/- 4.44   0.122% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 1.46, residual support = 29.1:
          QE    PHE   59 - HA    LEU  115   3.43 +/- 0.61  62.587% * 69.2621% (0.25   1.50  29.78) =  96.944%  kept
          QD    PHE   60 - HA    LEU  115  10.34 +/- 2.23   3.813% * 10.4552% (0.17   0.32   0.02) =   0.892%  kept
          HN    PHE   59 - HA    LEU  115   8.82 +/- 0.87   4.577% *  7.5921% (0.13   0.32  29.78) =   0.777%  kept
          QD    PHE   60 - HA    ARG+  54   7.95 +/- 2.32  12.537% *  2.1220% (0.57   0.02   0.02) =   0.595%  kept
          QE    PHE   59 - HA    ARG+  54   9.64 +/- 1.70   5.940% *  3.0012% (0.80   0.02   0.02) =   0.399%  kept
          HN    PHE   59 - HA    ARG+  54   7.88 +/- 0.94   7.238% *  1.5409% (0.41   0.02   0.02) =   0.249%  kept
          HN    LYS+  66 - HA    ARG+  54  14.83 +/- 2.73   1.261% *  3.6739% (0.98   0.02   0.02) =   0.104%  kept
          HN    LYS+  66 - HA    LEU  115  15.10 +/- 2.38   1.164% *  1.1305% (0.30   0.02   0.02) =   0.029%
          HN    LYS+  81 - HA    ARG+  54  21.50 +/- 4.87   0.386% *  0.9346% (0.25   0.02   0.02) =   0.008%
          HN    LYS+  81 - HA    LEU  115  21.37 +/- 2.87   0.495% *  0.2876% (0.08   0.02   0.02) =   0.003%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.878, support = 6.14, residual support = 147.7:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.07  64.561% * 75.5578% (0.97  10.0   6.57 169.52) =  86.772%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.53 +/- 0.06  30.766% * 24.1648% (0.31  10.0   3.32   4.32) =  13.225%  kept
          HN    ASP-  62 - HA    ARG+  54  10.56 +/- 1.68   1.563% *  0.0741% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - HA    LEU  115  10.94 +/- 0.93   1.137% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.20 +/- 1.46   0.648% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.68 +/- 3.07   0.119% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.04 +/- 1.62   0.902% *  0.0074% (0.09   1.0   0.02   5.13) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  27.97 +/- 3.52   0.077% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.79 +/- 2.40   0.136% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  25.43 +/- 2.38   0.090% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.566, support = 4.27, residual support = 22.0:
          HN    ILE   56 - QB    PHE   55   3.07 +/- 0.34  87.502% * 97.4381% (0.57   4.28  21.98) =  99.960%  kept
          HN    LEU   63 - QB    PHE   55  11.71 +/- 1.65   2.084% *  0.5531% (0.69   0.02   0.02) =   0.014%
          HN    LYS+ 111 - QB    PHE   55  11.00 +/- 4.38   6.386% *  0.1793% (0.22   0.02   0.02) =   0.013%
          QE    PHE   60 - QB    PHE   55  10.15 +/- 1.50   3.050% *  0.2008% (0.25   0.02   0.02) =   0.007%
          HZ2   TRP   87 - QB    PHE   55  20.98 +/- 2.01   0.304% *  0.6725% (0.84   0.02   0.02) =   0.002%
          HD21  ASN   28 - QB    PHE   55  23.08 +/- 3.27   0.244% *  0.7770% (0.97   0.02   0.02) =   0.002%
          HN    ALA   84 - QB    PHE   55  19.57 +/- 2.44   0.431% *  0.1793% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 3.02, residual support = 20.7:
      O   HN    PHE   55 - QB    PHE   55   2.04 +/- 0.10  88.717% * 87.1701% (0.73  10.0   3.02  21.00) =  98.375%  kept
          HN    ARG+  54 - QB    PHE   55   4.23 +/- 0.23  10.172% * 12.5496% (0.61   1.0   3.45   4.32) =   1.624%  kept
          HN    ASP-  62 - QB    PHE   55  10.86 +/- 1.51   0.867% *  0.1108% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.63 +/- 2.72   0.070% *  0.1159% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  20.34 +/- 2.84   0.116% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.47 +/- 3.35   0.057% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.854, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.83 +/- 1.13  65.770% * 36.5548% (0.90   0.02   0.02) =  76.508%  kept
          HN    LYS+  81 - QB    PHE   55  20.27 +/- 3.15  10.076% * 40.3993% (0.99   0.02   0.02) =  12.954%  kept
          HN    LYS+  66 - QB    PHE   55  15.10 +/- 1.91  17.125% * 16.7569% (0.41   0.02   0.02) =   9.132%  kept
          HE3   TRP   27 - QB    PHE   55  20.30 +/- 2.64   7.029% *  6.2891% (0.15   0.02   0.02) =   1.407%  kept
    Distance limit 3.30 A violated in 20 structures by 5.38 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.252, support = 5.99, residual support = 124.4:
      O   HN    ILE   56 - HB    ILE   56   3.41 +/- 0.39  85.686% * 91.3813% (0.25  10.0   6.03 125.29) =  99.276%  kept
          QE    PHE   60 - HB    ILE   56   9.02 +/- 1.72   7.204% *  7.7805% (0.57   1.0   0.75   4.15) =   0.711%  kept
          HN    LEU   63 - HB    ILE   56   9.57 +/- 1.60   6.322% *  0.1250% (0.34   1.0   0.02   0.02) =   0.010%
          HZ2   TRP   87 - HB    ILE   56  21.43 +/- 2.42   0.409% *  0.3665% (1.00   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB    ILE   56  23.14 +/- 3.19   0.379% *  0.3467% (0.95   1.0   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.518, support = 2.22, residual support = 16.5:
          QD    PHE   55 - HB    ILE   56   4.66 +/- 0.87  55.241% * 62.0179% (0.41   2.72  21.98) =  74.511%  kept
          QE    PHE   95 - HB    ILE   56   8.19 +/- 4.45  34.449% * 33.7823% (0.84   0.73   0.37) =  25.311%  kept
          HD1   TRP   49 - HB    ILE   56  14.72 +/- 2.44   2.743% *  0.8462% (0.76   0.02   0.02) =   0.050%
          HN    LEU   67 - HB    ILE   56  14.81 +/- 1.63   1.909% *  1.0974% (0.99   0.02   0.02) =   0.046%
          HD2   HIS   22 - HB    ILE   56  21.38 +/- 6.09   2.778% *  0.6716% (0.61   0.02   0.02) =   0.041%
          HN    THR   23 - HB    ILE   56  20.85 +/- 4.56   1.488% *  0.9604% (0.87   0.02   0.02) =   0.031%
          HE3   TRP   27 - HB    ILE   56  19.62 +/- 2.67   1.014% *  0.3777% (0.34   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB    ILE   56  28.14 +/- 4.09   0.379% *  0.2465% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.27 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.71, residual support = 125.3:
      O T QD1   ILE   56 - HB    ILE   56   2.74 +/- 0.46  89.083% * 99.4902% (0.87  10.0 10.00   4.71 125.29) =  99.970%  kept
        T QD2   LEU  123 - HB    ILE   56   9.81 +/- 2.99   8.644% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.028%
          HG3   LYS+ 121 - HB    ILE   56  14.46 +/- 1.98   0.958% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB    ILE   56  14.61 +/- 2.31   1.082% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  21.92 +/- 2.69   0.232% *  0.0514% (0.45   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 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.1, residual support = 125.3:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  93.780% * 98.2187% (0.87  10.0 10.00   4.10 125.29) =  99.990%  kept
        T HG3   LYS+ 121 - QG1   ILE   56  12.38 +/- 1.44   0.404% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - QG1   ILE   56  12.22 +/- 2.06   0.544% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - QG1   ILE   56   8.65 +/- 2.24   5.158% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   ILE   56  18.62 +/- 2.22   0.114% *  0.0508% (0.45   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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.18, residual support = 125.3:
        T QG2   ILE   56 - QD1   ILE   56   2.48 +/- 0.64  79.830% * 98.5057% (0.72 10.00   5.18 125.29) =  99.983%  kept
          QB    ALA   91 - QD1   ILE   56  11.43 +/- 3.37  16.265% *  0.0398% (0.29  1.00   0.02   0.02) =   0.008%
        T QB    ALA   34 - QD1   ILE   56  15.84 +/- 1.83   0.473% *  1.1899% (0.87 10.00   0.02   0.02) =   0.007%
          QG2   THR   23 - QD1   ILE   56  16.26 +/- 4.05   0.582% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56  10.01 +/- 1.99   2.134% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  16.05 +/- 2.22   0.546% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.63 +/- 3.13   0.170% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.853, support = 1.51, residual support = 1.17:
          QB    ALA   61 - QD1   ILE   56   6.95 +/- 0.89  18.628% * 56.8173% (0.94  1.00   1.79   1.64) =  64.333%  kept
          QB    ALA  110 - QD1   ILE   56   8.34 +/- 3.59  12.991% * 33.6473% (0.85  1.00   1.18   0.41) =  26.570%  kept
          HB3   LEU  115 - QD1   ILE   56   5.61 +/- 2.38  29.805% *  4.0155% (0.21  1.00   0.57   0.02) =   7.275%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  11.24 +/- 1.87  11.001% *  1.7688% (0.26 10.00   0.02   0.02) =   1.183%  kept
          QG    LYS+  66 - QD1   ILE   56  10.55 +/- 1.71   7.147% *  0.5518% (0.82  1.00   0.02   0.02) =   0.240%  kept
          HB3   LEU   67 - QD1   ILE   56  13.65 +/- 2.22   2.246% *  0.6236% (0.93  1.00   0.02   0.02) =   0.085%
          HG    LEU   80 - QD1   ILE   56  16.84 +/- 3.71   2.251% *  0.5873% (0.87  1.00   0.02   0.02) =   0.080%
          HG    LEU   73 - QD1   ILE   56  15.13 +/- 2.94   2.187% *  0.4370% (0.65  1.00   0.02   0.02) =   0.058%
          HB3   LYS+  74 - QD1   ILE   56  13.73 +/- 2.88   5.489% *  0.1586% (0.24  1.00   0.02   0.02) =   0.053%
          HG12  ILE   19 - QD1   ILE   56  17.18 +/- 2.26   1.500% *  0.5314% (0.79  1.00   0.02   0.02) =   0.048%
          HB2   LEU   80 - QD1   ILE   56  16.61 +/- 3.24   2.302% *  0.2615% (0.39  1.00   0.02   0.02) =   0.037%
          HG    LEU   40 - QD1   ILE   56  14.98 +/- 3.03   1.850% *  0.1416% (0.21  1.00   0.02   0.02) =   0.016%
          HG    LEU   67 - QD1   ILE   56  13.60 +/- 1.87   2.128% *  0.0982% (0.15  1.00   0.02   0.02) =   0.013%
          HG2   LYS+ 102 - QD1   ILE   56  22.35 +/- 3.58   0.474% *  0.3602% (0.54  1.00   0.02   0.02) =   0.010%
    Distance limit 3.22 A violated in 11 structures by 1.49 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.1, residual support = 125.3:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  96.119% * 98.9931% (0.85  10.0 10.00   4.10 125.29) =  99.996%  kept
        T HB2   LEU   73 - QD1   ILE   56  14.91 +/- 2.84   0.365% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   ILE   56  10.91 +/- 3.68   1.265% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   ILE   56  13.56 +/- 3.92   0.481% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56  10.77 +/- 3.13   1.059% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.69 +/- 2.83   0.402% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  17.14 +/- 3.15   0.171% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  18.67 +/- 3.70   0.139% *  0.0884% (0.76   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 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.69, residual support = 124.4:
      O T HB    ILE   56 - QD1   ILE   56   2.74 +/- 0.46  84.743% * 89.9577% (0.72  10.0 10.00   4.71 125.29) =  99.298%  kept
          HB3   PRO   58 - QD1   ILE   56   6.89 +/- 0.78   6.206% *  8.4980% (0.85   1.0  1.00   1.61   0.02) =   0.687%  kept
          HB2   MET   92 - QD1   ILE   56  11.76 +/- 3.81   4.467% *  0.1167% (0.94   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   GLN   30 - QD1   ILE   56  18.26 +/- 2.13   0.420% *  1.1667% (0.94   1.0 10.00   0.02   0.02) =   0.006%
          QB    LYS+ 106 - QD1   ILE   56  12.42 +/- 3.48   1.490% *  0.0402% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD1   ILE   56  16.04 +/- 3.14   1.124% *  0.0294% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  21.70 +/- 3.08   0.250% *  0.1056% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.65 +/- 2.48   0.532% *  0.0363% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.13 +/- 5.19   0.438% *  0.0262% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.68 +/- 2.26   0.330% *  0.0233% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.789, support = 1.48, residual support = 5.59:
        T HA    LYS+ 112 - QD1   ILE   56   6.11 +/- 3.09  45.352% * 99.8141% (0.79 10.00   1.48   5.59) =  99.918%  kept
          HB2   HIS  122 - QD1   ILE   56   9.34 +/- 2.94  25.479% *  0.0913% (0.54  1.00   0.02   0.02) =   0.051%
          HB    THR   46 - QD1   ILE   56   8.44 +/- 2.23  19.819% *  0.0498% (0.29  1.00   0.02   0.02) =   0.022%
          HB2   HIS   22 - QD1   ILE   56  17.86 +/- 5.56   9.349% *  0.0448% (0.26  1.00   0.02   0.02) =   0.009%
    Distance limit 3.25 A violated in 8 structures by 2.85 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.772, support = 3.6, residual support = 20.1:
          HA    PHE   55 - QD1   ILE   56   4.43 +/- 0.79  50.754% * 84.5632% (0.76   3.89  21.98) =  91.355%  kept
          HA    ALA  110 - QD1   ILE   56   9.62 +/- 4.57  27.803% * 14.4633% (0.94   0.54   0.41) =   8.559%  kept
          HA    ALA   91 - QD1   ILE   56  13.63 +/- 3.55  12.676% *  0.1354% (0.24   0.02   0.02) =   0.037%
          HA    GLN   90 - QD1   ILE   56  15.02 +/- 2.87   2.218% *  0.5136% (0.89   0.02   0.02) =   0.024%
          HA    VAL  107 - QD1   ILE   56  11.19 +/- 4.04   4.535% *  0.2038% (0.36   0.02   0.02) =   0.020%
          HA    VAL   42 - QD1   ILE   56  13.62 +/- 2.92   2.012% *  0.1209% (0.21   0.02   0.02) =   0.005%
    Distance limit 3.13 A violated in 1 structures by 0.89 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.41 +/- 1.26 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.43 A violated in 20 structures by 6.98 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.298, support = 1.52, residual support = 20.1:
          HN    PHE   59 - QD1   ILE   56   4.18 +/- 0.52  75.784% * 92.9872% (0.29   1.54  20.34) =  98.843%  kept
          HN    HIS  122 - QD1   ILE   56   9.32 +/- 2.07  23.136% *  3.3973% (0.82   0.02   0.02) =   1.102%  kept
          HH2   TRP   87 - QD1   ILE   56  18.13 +/- 2.55   1.080% *  3.6155% (0.87   0.02   0.02) =   0.055%
    Distance limit 3.52 A violated in 0 structures by 0.54 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 32.6:
          HN    ALA   57 - QD1   ILE   56   3.48 +/- 0.66  84.406% * 98.3778% (0.42   4.64  32.58) =  99.926%  kept
          HE21  GLN  116 - QD1   ILE   56   7.96 +/- 1.56  14.035% *  0.3549% (0.36   0.02   0.02) =   0.060%
          HE21  GLN   90 - QD1   ILE   56  17.44 +/- 3.36   1.178% *  0.9125% (0.91   0.02   0.02) =   0.013%
          HD21  ASN   35 - QD1   ILE   56  23.69 +/- 2.88   0.382% *  0.3549% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.266, support = 5.61, residual support = 113.1:
          HN    ILE   56 - QD1   ILE   56   3.01 +/- 0.99  74.736% * 65.7628% (0.24   6.09 125.29) =  89.938%  kept
          QE    PHE   60 - QD1   ILE   56   7.53 +/- 2.05  16.947% * 32.2550% (0.54   1.31   4.15) =  10.003%  kept
          HN    LEU   63 - QD1   ILE   56   7.80 +/- 1.52   6.913% *  0.2956% (0.32   0.02   0.02) =   0.037%
          HZ2   TRP   87 - QD1   ILE   56  17.55 +/- 2.40   0.815% *  0.8667% (0.95   0.02   0.02) =   0.013%
          HD21  ASN   28 - QD1   ILE   56  19.35 +/- 2.59   0.590% *  0.8199% (0.89   0.02   0.02) =   0.009%
    Distance limit 3.57 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 0.959, residual support = 5.52:
          HN    LYS+ 112 - QD1   ILE   56   7.66 +/- 3.00  55.573% * 95.4718% (0.50   0.97   5.59) =  98.763%  kept
          HN    ASP-  78 - QD1   ILE   56  14.14 +/- 3.09  16.860% *  2.4196% (0.61   0.02   0.02) =   0.759%  kept
          HN    VAL   75 - QD1   ILE   56  12.05 +/- 1.94  21.518% *  0.8327% (0.21   0.02   0.02) =   0.334%  kept
          HN    MET   11 - QD1   ILE   56  28.32 +/- 5.16   6.049% *  1.2758% (0.32   0.02   0.02) =   0.144%  kept
    Distance limit 3.77 A violated in 13 structures by 3.30 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.3:
        T HB3   PHE   59 - QG1   ILE   56   3.08 +/- 0.62  92.589% * 99.8494% (0.38 10.00   3.00  20.34) =  99.988%  kept
          HB2   PHE   95 - QG1   ILE   56   9.76 +/- 3.73   7.411% *  0.1506% (0.57  1.00   0.02   0.37) =   0.012%
    Distance limit 3.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.373, support = 2.62, residual support = 20.4:
        T HB2   PHE   59 - QG1   ILE   56   2.76 +/- 0.94  59.304% * 70.3791% (0.34 10.00   2.48  20.34) =  88.851%  kept
          QB    PHE   55 - QG1   ILE   56   4.84 +/- 0.84  19.780% * 24.9112% (0.61  1.00   3.98  21.98) =  10.490%  kept
          HB3   CYS   53 - QG1   ILE   56   6.10 +/- 1.26  10.827% *  1.8811% (0.90  1.00   0.20   0.02) =   0.434%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.57 +/- 1.66   3.805% *  2.5370% (0.95  1.00   0.26   0.02) =   0.205%  kept
          HD3   PRO   93 - QG1   ILE   56  10.55 +/- 3.59   5.443% *  0.1498% (0.73  1.00   0.02   0.02) =   0.017%
          HD3   PRO   68 - QG1   ILE   56  14.22 +/- 2.82   0.842% *  0.1417% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.19 +/- 1.36 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 6.19 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.3:
          QD    PHE   59 - QG1   ILE   56   3.29 +/- 0.68  90.942% * 96.4427% (0.34   1.97  20.34) =  99.878%  kept
          HN    HIS  122 - QG1   ILE   56   9.70 +/- 1.85   7.500% *  1.1804% (0.41   0.02   0.02) =   0.101%  kept
          HH2   TRP   87 - QG1   ILE   56  18.84 +/- 2.48   0.735% *  1.3976% (0.49   0.02   0.02) =   0.012%
          HD1   TRP   27 - QG1   ILE   56  18.53 +/- 2.86   0.823% *  0.9794% (0.34   0.02   0.02) =   0.009%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.02, residual support = 125.1:
      O   HN    ILE   56 - HA    ILE   56   2.81 +/- 0.16  93.513% * 96.4631% (0.25  10.0   5.02 125.29) =  99.885%  kept
          QE    PHE   60 - HA    ILE   56   9.41 +/- 1.56   3.737% *  2.6521% (0.57   1.0   0.24   4.15) =   0.110%  kept
          HN    LEU   63 - HA    ILE   56  10.17 +/- 1.20   2.333% *  0.1320% (0.34   1.0   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HA    ILE   56  22.22 +/- 2.66   0.224% *  0.3869% (1.00   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    ILE   56  23.95 +/- 3.27   0.194% *  0.3659% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.06, residual support = 25.0:
        T HD2   PRO   58 - QB    ALA   57   2.63 +/- 0.45  75.573% * 98.8080% (0.95 10.00   5.07  25.03) =  99.984%  kept
          HB2   CYS   53 - QB    ALA   57   6.21 +/- 2.44  23.440% *  0.0356% (0.34  1.00   0.02   0.02) =   0.011%
        T HA    VAL   83 - QB    ALA   57  18.88 +/- 3.97   0.340% *  1.0238% (0.98 10.00   0.02   0.02) =   0.005%
          HA    GLU- 100 - QB    ALA   57  21.71 +/- 3.08   0.304% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  20.31 +/- 3.51   0.343% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.85, residual support = 24.2:
      O   HN    ALA   57 - QB    ALA   57   2.78 +/- 0.44  86.984% * 98.4865% (0.18  10.0   4.85  24.21) =  99.966%  kept
          HE21  GLN  116 - QB    ALA   57  10.64 +/- 2.63   6.570% *  0.1252% (0.22   1.0   0.02   0.02) =   0.010%
          HN    ALA  120 - QB    ALA   57  11.09 +/- 1.72   2.099% *  0.3184% (0.57   1.0   0.02   0.02) =   0.008%
          HN    ALA  124 - QB    ALA   57  14.02 +/- 3.15   1.381% *  0.4697% (0.84   1.0   0.02   0.02) =   0.008%
          HE21  GLN   17 - QB    ALA   57  17.26 +/- 4.36   1.031% *  0.4084% (0.73   1.0   0.02   0.02) =   0.005%
          HN    LEU  123 - QB    ALA   57  12.11 +/- 2.59   1.935% *  0.1918% (0.34   1.0   0.02   0.02) =   0.004%
    Distance limit 2.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.46, residual support = 24.2:
      O   HN    ALA   57 - HA    ALA   57   2.63 +/- 0.18  96.033% * 99.6015% (0.57  10.0   4.46  24.21) =  99.995%  kept
          HE21  GLN  116 - HA    ALA   57  12.31 +/- 2.65   2.008% *  0.1138% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ALA  120 - HA    ALA   57  12.62 +/- 1.36   1.005% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HN    ALA  124 - HA    ALA   57  16.57 +/- 2.60   0.503% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  19.84 +/- 4.61   0.451% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.2:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.02  89.553% * 98.9094% (0.53  10.0 10.00   2.81  24.21) =  99.988%  kept
          HD2   LYS+  74 - HA    ALA   57  13.14 +/- 5.19   4.110% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          QD    LYS+  65 - HA    ALA   57  11.58 +/- 2.11   0.765% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    ALA   57  11.88 +/- 4.00   3.753% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    ALA   57  13.94 +/- 1.30   0.341% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    ALA   57  20.11 +/- 4.62   0.176% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  22.39 +/- 4.75   0.159% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  17.07 +/- 2.35   0.218% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  15.11 +/- 2.64   0.353% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  14.61 +/- 2.29   0.382% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.85 +/- 3.24   0.123% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  24.60 +/- 2.77   0.066% *  0.0580% (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 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.564, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  23.45 +/- 2.96   9.230% * 37.3861% (1.00   0.02   0.02) =  27.520%  kept
          HN    CYS   53 - HB2   PRO   58  11.86 +/- 2.15  56.302% *  5.7685% (0.15   0.02   0.02) =  25.901%  kept
          HN    SER   85 - HB2   PRO   58  23.82 +/- 3.37   7.776% * 29.9364% (0.80   0.02   0.02) =  18.564%  kept
          HN    LEU   80 - HB2   PRO   58  20.54 +/- 3.75  15.389% * 11.5391% (0.31   0.02   0.02) =  14.161%  kept
          HN    ALA   34 - HB2   PRO   58  22.14 +/- 2.77  11.303% * 15.3699% (0.41   0.02   0.02) =  13.854%  kept
    Distance limit 4.01 A violated in 20 structures by 7.52 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.612, support = 6.15, residual support = 40.0:
      O   HN    PHE   59 - HB3   PRO   58   4.05 +/- 0.31  55.558% * 89.1524% (0.61  10.0   6.29  40.08) =  96.941%  kept
          QE    PHE   59 - HB3   PRO   58   6.96 +/- 0.93  14.541% * 10.1457% (0.83   1.0   1.67  40.08) =   2.887%  kept
          QD    PHE   60 - HB3   PRO   58   7.23 +/- 1.11  14.357% *  0.5648% (0.23   1.0   0.33   0.02) =   0.159%  kept
          HN    LYS+  66 - HB3   PRO   58  11.96 +/- 3.09   3.878% *  0.0938% (0.64   1.0   0.02   0.02) =   0.007%
          HN    HIS  122 - HB3   PRO   58  11.35 +/- 3.46  10.772% *  0.0243% (0.17   1.0   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB3   PRO   58  22.40 +/- 3.84   0.895% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.7:
      O   HD2   PRO   58 - HG3   PRO   58   2.61 +/- 0.28  93.398% * 99.7269% (0.95  10.0   5.39 147.72) =  99.997%  kept
          HB2   CYS   53 - HG3   PRO   58  10.07 +/- 2.64   5.846% *  0.0360% (0.34   1.0   0.02   0.02) =   0.002%
          HA    GLU- 100 - HG3   PRO   58  25.85 +/- 4.57   0.305% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  23.91 +/- 3.92   0.240% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  24.70 +/- 4.04   0.212% *  0.0293% (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 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.7:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  89.770% * 99.2991% (0.76  10.0   4.50 147.72) =  99.988%  kept
          HA    THR   46 - HG3   PRO   58  13.78 +/- 3.09   4.600% *  0.1254% (0.97   1.0   0.02   0.02) =   0.006%
          HA    GLN   17 - HG3   PRO   58  19.37 +/- 4.05   1.324% *  0.1199% (0.92   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HG3   PRO   58  27.99 +/- 5.33   0.858% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  20.54 +/- 3.63   0.973% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  17.21 +/- 2.66   1.445% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  23.66 +/- 3.87   0.636% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  26.53 +/- 3.59   0.395% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.62, residual support = 25.0:
          HN    ALA   57 - HD2   PRO   58   2.33 +/- 0.75  82.176% * 98.5962% (0.54   5.62  25.03) =  99.909%  kept
          HE21  GLN  116 - HD2   PRO   58  10.76 +/- 2.80  13.966% *  0.4009% (0.61   0.02   0.02) =   0.069%
          HN    ALA  120 - HD2   PRO   58  11.14 +/- 2.17   2.471% *  0.5980% (0.91   0.02   0.02) =   0.018%
          HN    ALA  124 - HD2   PRO   58  15.24 +/- 3.07   0.900% *  0.2326% (0.36   0.02   0.02) =   0.003%
          HE21  GLN   17 - HD2   PRO   58  20.89 +/- 4.60   0.486% *  0.1723% (0.26   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.7:
      O   HA    PRO   58 - HD3   PRO   58   3.87 +/- 0.09  67.331% * 99.2639% (0.72  10.0   6.52 147.72) =  99.985%  kept
          HA    THR   46 - HD3   PRO   58  12.44 +/- 3.09   3.925% *  0.1254% (0.91   1.0   0.02   0.02) =   0.007%
          HA    GLN   17 - HD3   PRO   58  18.97 +/- 3.83   1.015% *  0.1199% (0.87   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HD3   PRO   58  16.50 +/- 2.73   1.388% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  27.70 +/- 4.99   0.552% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  20.06 +/- 3.53   0.717% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  23.35 +/- 3.68   0.462% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68  10.71 +/- 3.76   7.095% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HD3   PRO   58  26.23 +/- 3.51   0.283% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HD2   PRO   68  16.46 +/- 4.42   4.927% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.87 +/- 2.01   3.406% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  16.19 +/- 3.28   1.760% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  14.49 +/- 3.46   1.901% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.01 +/- 2.15   3.077% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.43 +/- 1.80   1.506% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  19.07 +/- 2.36   0.656% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.95, residual support = 25.0:
          HN    ALA   57 - HD3   PRO   58   2.60 +/- 0.83  76.073% * 97.9088% (0.54   3.95  25.03) =  99.851%  kept
          HE21  GLN  116 - HD3   PRO   58  10.64 +/- 2.81  14.166% *  0.5659% (0.61   0.02   0.02) =   0.107%  kept
          HN    ALA  120 - HD3   PRO   58  11.02 +/- 1.97   3.016% *  0.8442% (0.91   0.02   0.02) =   0.034%
          HN    ALA  124 - HD3   PRO   58  14.84 +/- 3.34   1.266% *  0.3283% (0.36   0.02   0.02) =   0.006%
          HE21  GLN   17 - HD3   PRO   58  21.12 +/- 4.71   0.218% *  0.2432% (0.26   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   68  18.13 +/- 5.18   0.659% *  0.0374% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  20.31 +/- 7.70   1.655% *  0.0145% (0.02   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.22 +/- 3.12   2.123% *  0.0108% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  16.22 +/- 2.79   0.501% *  0.0219% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  19.64 +/- 4.59   0.323% *  0.0251% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.0:
          QB    ALA   57 - HD3   PRO   58   2.46 +/- 0.76  64.784% * 96.7335% (0.87   3.30  25.03) =  99.952%  kept
          HD2   LYS+  74 - HD3   PRO   58  15.18 +/- 4.55   1.844% *  0.6298% (0.94   0.02   0.02) =   0.019%
          QD    LYS+  65 - HD3   PRO   58  11.97 +/- 2.69   1.445% *  0.3093% (0.46   0.02   0.02) =   0.007%
          HB3   LEU  123 - HD3   PRO   58  13.33 +/- 3.24   0.777% *  0.4110% (0.61   0.02   0.02) =   0.005%
          HD3   LYS+ 111 - HD3   PRO   58  16.88 +/- 2.17   0.464% *  0.5698% (0.85   0.02   0.02) =   0.004%
          HB2   LYS+ 121 - HD3   PRO   58  12.54 +/- 2.10   0.771% *  0.3343% (0.50   0.02   0.02) =   0.004%
          QD    LYS+  38 - HD2   PRO   68  14.86 +/- 3.69  12.655% *  0.0078% (0.01   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   PRO   68  11.90 +/- 3.38   3.542% *  0.0279% (0.04   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HD2   PRO   68  16.82 +/- 5.76   6.384% *  0.0148% (0.02   0.02   0.02) =   0.002%
          QD    LYS+  33 - HD3   PRO   58  22.05 +/- 2.81   0.175% *  0.4110% (0.61   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   PRO   58  21.62 +/- 4.04   0.257% *  0.2612% (0.39   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   68  20.02 +/- 6.89   2.168% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   PRO   68  14.43 +/- 2.24   1.378% *  0.0260% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   9.39 +/- 1.02   1.821% *  0.0137% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  23.12 +/- 4.70   0.134% *  0.1767% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  15.06 +/- 2.63   0.835% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.38 +/- 4.99   0.236% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  21.28 +/- 3.51   0.331% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.06, residual support = 25.0:
        T QB    ALA   57 - HD2   PRO   58   2.63 +/- 0.45  92.490% * 97.4262% (0.87 10.00   5.07  25.03) =  99.971%  kept
        T HD2   LYS+  74 - HD2   PRO   58  14.95 +/- 4.17   1.051% *  1.0461% (0.94 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  65 - HD2   PRO   58  11.70 +/- 2.38   1.896% *  0.5137% (0.46 10.00   0.02   0.02) =   0.011%
        T HB    VAL   83 - HD2   PRO   58  21.23 +/- 3.77   0.403% *  0.4339% (0.39 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HD2   PRO   58  13.67 +/- 3.07   1.598% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  23.31 +/- 4.58   0.339% *  0.2934% (0.26 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   58  12.68 +/- 2.30   1.493% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   PRO   58  16.62 +/- 2.01   0.515% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   58  22.06 +/- 2.70   0.216% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.7, residual support = 147.7:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  96.681% * 99.6708% (0.89  10.0 10.00   7.70 147.72) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.63 +/- 2.13   2.018% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   PRO   68  16.80 +/- 2.59   0.147% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.13 +/- 3.53   0.062% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.65 +/- 3.92   0.060% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  24.33 +/- 3.87   0.052% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  17.36 +/- 5.38   0.366% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.36 +/- 3.30   0.446% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  18.42 +/- 3.24   0.109% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  22.85 +/- 3.59   0.058% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.7, residual support = 147.7:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.776% * 99.5891% (0.95  10.0 10.00   7.70 147.72) =  99.999%  kept
        T HD2   PRO   68 - HD2   PRO   58  16.80 +/- 2.59   0.150% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD2   PRO   58   8.78 +/- 0.80   0.855% *  0.0446% (0.42   1.0  1.00   0.02   0.91) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.78 +/- 2.80   0.219% *  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 = 0.679, support = 6.55, residual support = 40.1:
          HN    PHE   59 - HD2   PRO   58   2.90 +/- 0.69  84.997% * 86.2576% (0.69   6.65  40.08) =  97.784%  kept
          QE    PHE   59 - HD2   PRO   58   6.29 +/- 1.36  12.665% * 13.0539% (0.32   2.14  40.08) =   2.205%  kept
          HN    HIS  122 - HD2   PRO   58  11.69 +/- 2.81   2.060% *  0.3504% (0.93   0.02   0.02) =   0.010%
          HH2   TRP   87 - HD2   PRO   58  22.25 +/- 2.72   0.278% *  0.3381% (0.89   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.3:
        T QG1   ILE   56 - HB3   PHE   59   3.08 +/- 0.62  98.399% * 99.6917% (0.53 10.00   3.00  20.34) =  99.997%  kept
          HB    ILE   89 - HB3   PHE   59  16.98 +/- 2.46   0.821% *  0.1857% (0.98  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HB3   PHE   59  19.59 +/- 4.25   0.780% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 0.597, residual support = 5.13:
          HB3   ASP-  62 - HB3   PHE   59   5.17 +/- 0.99  48.401% * 56.4905% (0.45   0.75   6.41) =  72.367%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.00 +/- 2.52  33.727% * 28.1001% (0.80   0.21   1.97) =  25.084%  kept
          HB    VAL  107 - HB3   PHE   59  10.16 +/- 4.25  12.360% *  6.5616% (0.38   0.10   0.16) =   2.147%  kept
          HB3   PHE   45 - HB3   PHE   59  12.51 +/- 3.21   4.503% *  2.6905% (0.80   0.02   0.02) =   0.321%  kept
          HB3   ASP-  86 - HB3   PHE   59  21.47 +/- 2.01   0.581% *  2.9146% (0.87   0.02   0.02) =   0.045%
          HG2   GLU-  29 - HB3   PHE   59  24.76 +/- 2.84   0.428% *  3.2427% (0.97   0.02   0.02) =   0.037%
    Distance limit 3.99 A violated in 0 structures by 0.50 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 20.3:
        T QG1   ILE   56 - HB2   PHE   59   2.76 +/- 0.94  95.582% * 99.0024% (0.18 10.00   2.48  20.34) =  99.990%  kept
          HB    VAL   43 - HB2   PHE   59  14.76 +/- 2.56   1.803% *  0.1928% (0.34  1.00   0.02   0.02) =   0.004%
          HB    ILE   89 - HB2   PHE   59  17.46 +/- 2.57   0.901% *  0.3657% (0.65  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HB2   PHE   59  19.93 +/- 4.29   0.663% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HB2   PHE   59  19.36 +/- 4.02   0.617% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HB2   PHE   59  21.11 +/- 2.64   0.434% *  0.1572% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 58.0:
      O   HN    PHE   59 - HB3   PHE   59   2.97 +/- 0.53  95.668% * 99.4232% (0.31  10.0   4.97  58.01) =  99.987%  kept
          HN    HIS  122 - HB3   PHE   59   9.54 +/- 0.91   3.829% *  0.2794% (0.87   1.0   0.02   0.02) =   0.011%
          HH2   TRP   87 - HB3   PHE   59  19.91 +/- 2.86   0.503% *  0.2974% (0.92   1.0   0.02   0.02) =   0.002%
    Distance limit 3.14 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 58.0:
      O   HN    PHE   59 - HB2   PHE   59   2.34 +/- 0.54  79.985% * 93.3105% (1.00  10.0   4.35  58.01) =  98.574%  kept
          QE    PHE   59 - HB2   PHE   59   4.49 +/- 0.04  16.446% *  6.5550% (0.80   1.0   1.75  58.01) =   1.424%  kept
          HN    HIS  122 - HB2   PHE   59   9.38 +/- 0.80   2.019% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   PHE   59  11.03 +/- 1.20   1.314% *  0.0288% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  20.39 +/- 2.77   0.235% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.4:
          HB2   ASP-  62 - HA    PHE   59   3.99 +/- 0.53  88.953% * 97.0773% (0.99  1.00   1.50   6.41) =  99.853%  kept
        T QB    ASP- 113 - HA    PHE   59  12.54 +/- 1.05   3.438% *  2.2871% (0.18 10.00   0.02   0.02) =   0.091%
          HB2   PRO   52 - HA    PHE   59  12.87 +/- 2.53   7.609% *  0.6357% (0.49  1.00   0.02   0.02) =   0.056%
    Distance limit 3.65 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 2.94, residual support = 6.36:
          HB3   ASP-  62 - HA    PHE   59   4.27 +/- 1.53  77.480% * 85.4423% (0.18  1.00   2.96   6.41) =  99.269%  kept
        T HB3   TRP   87 - HA    PHE   59  18.85 +/- 3.28   2.358% *  9.1744% (0.28 10.00   0.02   0.02) =   0.324%  kept
          HG3   GLN  116 - HA    PHE   59   9.25 +/- 1.91  13.832% *  1.1256% (0.34  1.00   0.02   0.35) =   0.233%  kept
          HG3   MET   96 - HA    PHE   59  15.81 +/- 3.95   5.642% *  1.7360% (0.53  1.00   0.02   0.02) =   0.147%  kept
          HG2   GLU-  36 - HA    PHE   59  26.02 +/- 2.96   0.688% *  2.5217% (0.76  1.00   0.02   0.02) =   0.026%
    Distance limit 3.90 A violated in 6 structures by 0.88 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.9, residual support = 58.0:
      O   HN    PHE   59 - HA    PHE   59   2.77 +/- 0.07  76.222% * 92.6344% (1.00  10.0   4.95  58.01) =  98.179%  kept
          QE    PHE   59 - HA    PHE   59   4.64 +/- 0.50  18.073% *  7.2321% (0.80   1.0   1.95  58.01) =   1.817%  kept
          HN    HIS  122 - HA    PHE   59   9.27 +/- 1.21   2.475% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   9.44 +/- 1.88   2.945% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  19.97 +/- 3.14   0.285% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 20.2:
          HN    PHE   60 - HB3   PHE   59   3.50 +/- 0.49  81.648% * 98.7616% (0.61   4.03  20.21) =  99.950%  kept
          HN    THR  118 - HB3   PHE   59   8.31 +/- 0.92   7.317% *  0.3036% (0.38   0.02  12.36) =   0.028%
          HN    GLN  116 - HB3   PHE   59   7.82 +/- 1.26  10.671% *  0.1417% (0.18   0.02   0.35) =   0.019%
          HN    GLU-  15 - HB3   PHE   59  22.44 +/- 2.78   0.364% *  0.7930% (0.98   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.985, support = 3.91, residual support = 71.5:
          QD    PHE   60 - HA    PHE   60   2.93 +/- 0.52  79.097% * 91.3058% (1.00   3.95  72.39) =  98.325%  kept
          QE    PHE   59 - HA    PHE   60   6.79 +/- 1.53  15.164% *  7.9872% (0.25   1.38  20.21) =   1.649%  kept
          HN    LYS+  66 - HA    PHE   60   8.14 +/- 0.76   5.431% *  0.3362% (0.73   0.02   0.02) =   0.025%
          HN    LYS+  81 - HA    PHE   60  19.75 +/- 2.93   0.308% *  0.3708% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HA    PHE   60   2.76 +/- 0.10  93.172% * 99.7483% (0.61  10.0   4.92  72.39) =  99.997%  kept
          HN    THR  118 - HA    PHE   60  10.85 +/- 2.06   2.562% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60  10.57 +/- 2.30   3.938% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  19.80 +/- 2.87   0.328% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.0, residual support = 41.3:
      O   HN    ALA   61 - HA    PHE   60   3.60 +/- 0.04  93.624% * 99.5823% (0.84  10.0   5.00  41.30) =  99.994%  kept
          HN    TRP   27 - HA    PHE   60  17.51 +/- 4.08   2.002% *  0.1182% (0.99   1.0   0.02   0.02) =   0.003%
          HN    ALA   91 - HA    PHE   60  16.71 +/- 2.75   1.209% *  0.1069% (0.90   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  17.65 +/- 2.33   1.002% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  18.66 +/- 2.58   0.852% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  18.44 +/- 2.33   0.828% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  21.84 +/- 2.50   0.483% *  0.0184% (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 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.639, support = 0.635, residual support = 1.31:
          HA    ASP-  44 - HB2   PHE   60   9.38 +/- 2.80  18.342% * 69.2196% (1.00   0.56   2.08) =  56.859%  kept
          HA    ALA   57 - HB2   PHE   60   4.33 +/- 0.94  65.807% * 14.2230% (0.15   0.75   0.30) =  41.916%  kept
          HB    THR   77 - HB2   PHE   60  14.23 +/- 4.12   4.548% *  2.4095% (0.98   0.02   0.02) =   0.491%  kept
          HA    ILE  103 - HB2   PHE   60  18.21 +/- 2.67   1.502% *  2.2692% (0.92   0.02   0.02) =   0.153%  kept
          HA    GLU-  79 - HB2   PHE   60  17.69 +/- 4.64   2.007% *  1.3917% (0.57   0.02   0.02) =   0.125%  kept
          HA1   GLY   51 - HB2   PHE   60  13.52 +/- 1.71   2.701% *  0.9226% (0.38   0.02   0.02) =   0.112%  kept
          HA    THR   39 - HB2   PHE   60  17.50 +/- 3.30   1.570% *  1.1965% (0.49   0.02   0.02) =   0.084%
          HA    SER   85 - HB2   PHE   60  21.56 +/- 2.39   0.724% *  2.4095% (0.98   0.02   0.02) =   0.078%
          HA    MET   11 - HB2   PHE   60  28.40 +/- 4.98   0.667% *  2.4581% (1.00   0.02   0.02) =   0.073%
          HA    GLU-  14 - HB2   PHE   60  21.43 +/- 3.31   0.889% *  1.0106% (0.41   0.02   0.02) =   0.040%
          HA    ALA   12 - HB2   PHE   60  26.21 +/- 4.13   0.606% *  1.2933% (0.53   0.02   0.02) =   0.035%
          HA    ASP-  86 - HB2   PHE   60  22.45 +/- 2.71   0.637% *  1.1965% (0.49   0.02   0.02) =   0.034%
    Distance limit 3.97 A violated in 3 structures by 0.51 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.4:
      O   QD    PHE   60 - HB2   PHE   60   2.47 +/- 0.17  95.055% * 99.7759% (0.76  10.0   3.76  72.39) =  99.998%  kept
          HN    LYS+  66 - HB2   PHE   60   9.84 +/- 0.95   1.840% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   PHE   60   9.61 +/- 0.97   1.901% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  19.96 +/- 3.94   0.302% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  14.65 +/- 3.52   0.903% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.85, residual support = 41.3:
          HN    ALA   61 - HB2   PHE   60   3.27 +/- 0.48  93.860% * 95.7022% (0.38   4.85  41.30) =  99.955%  kept
          HN    TRP   27 - HB2   PHE   60  17.73 +/- 4.43   1.610% *  0.8413% (0.80   0.02   0.02) =   0.015%
          HD1   TRP   87 - HB2   PHE   60  17.96 +/- 2.98   1.026% *  0.9423% (0.90   0.02   0.02) =   0.011%
          HN    THR   39 - HB2   PHE   60  18.84 +/- 2.95   0.660% *  0.9699% (0.92   0.02   0.02) =   0.007%
          HN    ALA   91 - HB2   PHE   60  16.83 +/- 2.98   1.217% *  0.4710% (0.45   0.02   0.02) =   0.006%
          HN    GLU-  36 - HB2   PHE   60  22.11 +/- 3.03   0.436% *  0.5528% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   PHE   60  22.05 +/- 2.80   0.392% *  0.3584% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  19.02 +/- 2.86   0.799% *  0.1621% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.79, residual support = 72.4:
      O   HN    PHE   60 - HB2   PHE   60   2.41 +/- 0.44  95.526% * 99.7483% (0.61  10.0   4.79  72.39) =  99.997%  kept
          HN    THR  118 - HB2   PHE   60  11.53 +/- 2.13   2.284% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   PHE   60  11.04 +/- 2.31   1.888% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  20.24 +/- 2.94   0.302% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.983, support = 2.8, residual support = 9.61:
        T QD1   LEU   63 - HA    PHE   60   3.90 +/- 0.96  40.734% * 79.0404% (1.00 10.00   2.96  10.07) =  91.642%  kept
        T QD1   LEU   73 - HA    PHE   60  11.69 +/- 2.33   9.565% * 14.0738% (1.00 10.00   0.36   0.85) =   3.832%  kept
          QD2   LEU   63 - HA    PHE   60   4.76 +/- 0.96  27.131% *  4.5176% (0.57  1.00   2.02  10.07) =   3.489%  kept
          QD2   LEU  115 - HA    PHE   60   6.35 +/- 1.82  19.450% *  1.8436% (0.84  1.00   0.56   0.02) =   1.021%  kept
        T QD1   LEU  104 - HA    PHE   60  14.18 +/- 2.68   1.154% *  0.4475% (0.57 10.00   0.02   0.02) =   0.015%
          QD2   LEU   80 - HA    PHE   60  15.27 +/- 3.18   0.963% *  0.0633% (0.80  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    PHE   60  15.41 +/- 2.94   1.003% *  0.0138% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 10.1:
        T HB2   LEU   63 - HA    PHE   60   3.41 +/- 0.74  55.901% * 98.8172% (0.92 10.00   1.50  10.07) =  99.916%  kept
          HB3   ASP-  44 - HA    PHE   60   7.31 +/- 2.98  22.673% *  0.1399% (0.98  1.00   0.02   2.08) =   0.057%
          HB3   PRO   93 - HA    PHE   60   9.99 +/- 2.93   4.101% *  0.1238% (0.87  1.00   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HA    PHE   60  11.30 +/- 2.71   5.379% *  0.0318% (0.22  1.00   0.02   0.52) =   0.003%
          QB    ALA  124 - HA    PHE   60  15.13 +/- 1.49   1.123% *  0.1424% (1.00  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    PHE   60  16.69 +/- 3.06   0.817% *  0.1377% (0.97  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    PHE   60  15.29 +/- 1.80   0.870% *  0.1280% (0.90  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    PHE   60  12.53 +/- 2.72   4.724% *  0.0220% (0.15  1.00   0.02   0.85) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  15.71 +/- 2.41   1.023% *  0.0866% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    PHE   60  17.44 +/- 3.56   0.716% *  0.1192% (0.84  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    PHE   60  18.77 +/- 2.95   0.748% *  0.0980% (0.69  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  15.74 +/- 3.85   0.766% *  0.0441% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  19.59 +/- 2.78   0.455% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.32 +/- 3.17   0.453% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  23.34 +/- 3.09   0.252% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.388, support = 0.856, residual support = 0.734:
        T QG2   VAL   18 - HA    ALA   61   7.44 +/- 3.92  27.571% * 67.7029% (0.34 10.00   0.87   0.69) =  80.851%  kept
          QD1   ILE   56 - HA    ALA   61   8.69 +/- 1.26  14.562% * 16.1090% (0.61  1.00   1.17   1.64) =  10.161%  kept
          QG1   VAL   43 - HA    ALA   61   9.69 +/- 2.02  11.870% *  6.3389% (0.57  1.00   0.49   0.14) =   3.259%  kept
          QG2   THR   46 - HA    ALA   61   7.59 +/- 1.77  20.839% *  2.8638% (0.25  1.00   0.50   0.02) =   2.585%  kept
          QD2   LEU   73 - HA    ALA   61   8.31 +/- 2.05  16.796% *  3.0644% (0.87  1.00   0.16   0.02) =   2.229%  kept
        T QG1   VAL   41 - HA    ALA   61  11.56 +/- 2.19   5.733% *  3.4814% (0.76 10.00   0.02   0.02) =   0.864%  kept
          HG    LEU   31 - HA    ALA   61  14.99 +/- 2.31   2.630% *  0.4396% (0.97  1.00   0.02   0.02) =   0.050%
    Distance limit 3.00 A violated in 11 structures by 1.73 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.27, residual support = 5.99:
        T QB    ALA   64 - HA    ALA   61   3.61 +/- 0.59  75.110% * 98.7496% (0.34 10.00   2.27   6.00) =  99.720%  kept
        T QG1   VAL   75 - HA    ALA   61   8.31 +/- 2.29  18.144% *  1.0865% (0.38 10.00   0.02   0.02) =   0.265%  kept
          QD1   LEU  115 - HA    ALA   61   9.20 +/- 1.53   6.746% *  0.1639% (0.57  1.00   0.02   0.02) =   0.015%
    Distance limit 3.40 A violated in 1 structures by 0.32 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.0:
          HN    ALA   64 - HA    ALA   61   3.67 +/- 0.51 100.000% *100.0000% (0.84   0.75   6.00) = 100.000%  kept
    Distance limit 4.11 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.75, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.77 +/- 0.07  96.650% * 98.9218% (0.38  10.0   2.75  17.88) =  99.994%  kept
          HN    TRP   27 - HA    ALA   61  15.79 +/- 3.25   0.784% *  0.2111% (0.80   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    ALA   61  16.21 +/- 2.25   0.618% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  17.59 +/- 3.02   0.496% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  17.91 +/- 2.66   0.453% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  19.61 +/- 2.14   0.322% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  20.79 +/- 2.54   0.272% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.71 +/- 3.39   0.406% *  0.0407% (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 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 3.72, residual support = 71.3:
      O   QD    PHE   60 - HB3   PHE   60   2.49 +/- 0.17  74.981% * 87.7272% (0.73  10.0   3.75  72.39) =  97.961%  kept
          QE    PHE   59 - HB3   PHE   60   7.37 +/- 2.11  13.460% *  5.2338% (0.65   1.0   1.34  20.21) =   1.049%  kept
          HN    PHE   59 - HB3   PHE   60   5.17 +/- 0.58   9.643% *  6.8731% (0.28   1.0   4.09  20.21) =   0.987%  kept
          HN    LYS+  66 - HB3   PHE   60   9.62 +/- 1.17   1.722% *  0.1205% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  20.17 +/- 3.64   0.193% *  0.0453% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HB3   PHE   60   2.58 +/- 0.48  99.612% * 99.5797% (0.20  10.0   4.92  72.39) =  99.998%  kept
          HN    GLU-  15 - HB3   PHE   60  20.07 +/- 3.22   0.388% *  0.4203% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  18.34 +/- 2.80  23.998% * 23.9067% (0.95   0.02   0.02) =  30.081%  kept
          HN    THR   39 - HB3   PHE   60  19.03 +/- 2.65  22.297% * 23.3294% (0.92   0.02   0.02) =  27.274%  kept
          HN    LYS+ 102 - HB3   PHE   60  22.39 +/- 2.77  14.504% * 20.2366% (0.80   0.02   0.02) =  15.389%  kept
          HN    GLU-  36 - HB3   PHE   60  22.30 +/- 2.81  11.900% * 23.9067% (0.95   0.02   0.02) =  14.916%  kept
          HN    TRP   27 - HB3   PHE   60  17.80 +/- 4.66  27.301% *  8.6206% (0.34   0.02   0.02) =  12.340%  kept
    Distance limit 3.70 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 = 0.33, support = 2.3, residual support = 5.52:
          HA    LYS+  81 - QB    ALA   84   2.30 +/- 0.27  97.141% * 58.7153% (0.33  1.00   2.31   5.53) =  99.757%  kept
        T HA    ASN   28 - QB    ALA   84  15.68 +/- 4.85   0.660% * 13.7778% (0.89 10.00   0.02   0.02) =   0.159%  kept
        T HA    ALA   34 - QB    ALA   84  20.04 +/- 2.43   0.178% * 11.4063% (0.74 10.00   0.02   0.02) =   0.036%
        T HA    ALA  124 - QB    ALA   84  24.73 +/- 3.30   0.089% * 11.4063% (0.74 10.00   0.02   0.02) =   0.018%
          HA    ARG+  54 - QB    ALA   84  16.96 +/- 3.05   0.532% *  1.2947% (0.84  1.00   0.02   0.02) =   0.012%
          HA    LEU  115 - QB    ALA   84  15.31 +/- 2.07   0.440% *  1.3385% (0.87  1.00   0.02   0.02) =   0.010%
          HA1   GLY  101 - QB    ALA   84  18.90 +/- 2.87   0.223% *  0.8450% (0.55  1.00   0.02   0.02) =   0.003%
          HA    GLU- 114 - QB    ALA   84  17.01 +/- 2.14   0.301% *  0.6136% (0.40  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QB    ALA   84  17.73 +/- 4.36   0.342% *  0.2303% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   84  24.57 +/- 2.68   0.094% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 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 = 0.276, support = 1.74, residual support = 13.6:
          HA    SER   85 - QB    ALA   84   3.79 +/- 0.04  52.098% * 15.3782% (0.15  1.00   2.33  20.66) =  65.760%  kept
          HA    ASP-  86 - QB    ALA   84   6.49 +/- 0.10  10.356% * 20.4851% (0.84  1.00   0.55   0.02) =  17.412%  kept
        T HA    ASP-  44 - QB    ALA   84  10.06 +/- 1.29   3.173% * 60.4966% (0.19 10.00   0.71   0.02) =  15.758%  kept
          HA    TRP   87 - QB    ALA   84   6.96 +/- 0.32   8.828% *  0.9861% (0.27  1.00   0.08   0.02) =   0.715%  kept
          HB    THR   77 - QB    ALA   84   6.29 +/- 2.51  23.981% *  0.1321% (0.15  1.00   0.02   0.02) =   0.260%  kept
          HA    LEU  104 - QB    ALA   84  17.15 +/- 3.13   0.951% *  0.8261% (0.93  1.00   0.02   0.02) =   0.064%
          HA    GLU-  14 - QB    ALA   84  23.95 +/- 3.66   0.253% *  0.7902% (0.89  1.00   0.02   0.02) =   0.016%
          HA    ALA   12 - QB    ALA   84  27.30 +/- 4.70   0.191% *  0.7150% (0.81  1.00   0.02   0.02) =   0.011%
          HA    MET   11 - QB    ALA   84  29.00 +/- 5.24   0.170% *  0.1906% (0.21  1.00   0.02   0.02) =   0.003%
    Distance limit 3.34 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.15, residual support = 17.7:
      O   HN    ALA   84 - QB    ALA   84   2.03 +/- 0.07  93.968% * 98.8488% (0.30  10.0   4.15  17.73) =  99.986%  kept
          HZ2   TRP   87 - QB    ALA   84   8.34 +/- 1.20   3.838% *  0.2326% (0.70   1.0   0.02   0.02) =   0.010%
          HD21  ASN   28 - QB    ALA   84  14.01 +/- 5.45   0.822% *  0.2872% (0.87   1.0   0.02   0.02) =   0.003%
          HN    LEU   63 - QB    ALA   84  15.63 +/- 1.76   0.235% *  0.2564% (0.77   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - QB    ALA   84  16.61 +/- 2.63   0.241% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QB    ALA   84  14.34 +/- 2.05   0.330% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  13.39 +/- 3.05   0.565% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.764, support = 3.93, residual support = 20.3:
          HN    SER   85 - QB    ALA   84   2.66 +/- 0.12  82.218% * 90.4695% (0.77   3.98  20.66) =  98.145%  kept
          HN    LEU   80 - QB    ALA   84   5.20 +/- 0.83  16.226% *  8.6424% (0.30   0.99   0.02) =   1.850%  kept
          HN    GLN   32 - QB    ALA   84  18.93 +/- 4.26   0.365% *  0.5673% (0.97   0.02   0.02) =   0.003%
          HN    CYS   53 - QB    ALA   84  14.22 +/- 3.11   0.919% *  0.0875% (0.15   0.02   0.02) =   0.001%
          HN    ALA   34 - QB    ALA   84  19.53 +/- 3.14   0.272% *  0.2332% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.927, support = 1.13, residual support = 28.2:
          HN    LEU  123 - QB    ALA  120   3.90 +/- 0.07  80.452% * 88.0135% (0.94   1.16  28.99) =  97.173%  kept
          HN    ALA  124 - QB    ALA  120   6.40 +/- 0.30  18.873% * 10.8744% (0.57   0.23   0.02) =   2.817%  kept
          HE21  GLN   17 - QB    ALA  120  21.23 +/- 3.83   0.675% *  1.1121% (0.69   0.02   0.02) =   0.010%
    Distance limit 2.85 A violated in 0 structures by 1.01 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.1, residual support = 5.54:
        T HA    SER  117 - QB    ALA  120   3.07 +/- 0.42  93.886% * 99.1094% (0.54 10.00   2.10   5.54) =  99.991%  kept
          HA    ALA   57 - QB    ALA  120  12.41 +/- 1.24   1.720% *  0.1656% (0.89  1.00   0.02   0.02) =   0.003%
        T HB    THR   26 - QB    ALA  120  22.84 +/- 4.38   0.636% *  0.3897% (0.21 10.00   0.02   0.02) =   0.003%
          HA1   GLY   51 - QB    ALA  120  17.54 +/- 3.17   0.977% *  0.1202% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  21.36 +/- 4.18   0.917% *  0.0852% (0.46  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QB    ALA  120  19.60 +/- 4.53   0.590% *  0.0991% (0.54  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  16.06 +/- 5.09   1.272% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 3.99, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.09 +/- 0.07  93.156% * 99.3531% (0.97  10.0   3.99  17.88) =  99.995%  kept
          HN    ALA   91 - QB    ALA  110   9.30 +/- 2.86   2.357% *  0.0755% (0.73   1.0   0.02   0.02) =   0.002%
          HE3   TRP   87 - QB    ALA  110  13.87 +/- 2.71   1.104% *  0.0553% (0.54   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  12.59 +/- 2.29   0.599% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  13.83 +/- 2.48   0.419% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.13 +/- 2.73   0.343% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  15.98 +/- 3.37   0.326% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  20.20 +/- 3.07   0.243% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  14.43 +/- 2.51   0.490% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  15.00 +/- 2.95   0.373% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.29 +/- 2.21   0.503% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.56 +/- 2.48   0.088% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.58:
      O   HN    ALA  110 - QB    ALA  110   2.75 +/- 0.27  80.090% * 99.6796% (0.87  10.0   2.12   9.58) =  99.989%  kept
          HN    PHE   45 - QB    ALA   61   8.78 +/- 2.46   7.551% *  0.0550% (0.48   1.0   0.02   0.02) =   0.005%
          HN    ASP-  44 - QB    ALA   61   7.74 +/- 1.95   7.260% *  0.0236% (0.21   1.0   0.02   0.30) =   0.002%
          HN    PHE   45 - QB    ALA  110   9.89 +/- 1.49   2.227% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   61  13.56 +/- 1.43   0.796% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  12.63 +/- 1.52   1.000% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.18 +/- 3.37   0.476% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  15.98 +/- 2.97   0.601% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 2.76, residual support = 8.09:
          HN    ASP-  62 - QB    ALA   61   2.78 +/- 0.23  78.088% * 82.3341% (1.00   2.79   8.20) =  98.706%  kept
          HN    PHE   55 - QB    ALA  110  11.10 +/- 4.84  10.857% *  5.2864% (0.33   0.54   0.02) =   0.881%  kept
          HN    ARG+  54 - QB    ALA  110  11.69 +/- 4.43   4.313% *  2.9045% (0.64   0.15   0.02) =   0.192%  kept
          HN    PHE   55 - QB    ALA   61  10.33 +/- 0.85   1.710% *  7.0917% (0.45   0.53   0.02) =   0.186%  kept
          HN    ARG+  54 - QB    ALA   61  10.24 +/- 0.86   1.707% *  0.5134% (0.87   0.02   0.02) =   0.013%
          HN    ASP-  62 - QB    ALA  110  12.66 +/- 2.16   1.452% *  0.4370% (0.74   0.02   0.02) =   0.010%
          HN    LEU   31 - QB    ALA   61  14.18 +/- 1.83   0.779% *  0.5802% (0.98   0.02   0.02) =   0.007%
          HN    LYS+  38 - QB    ALA   61  16.10 +/- 2.63   0.715% *  0.2433% (0.41   0.02   0.02) =   0.003%
          HN    LEU   31 - QB    ALA  110  20.96 +/- 2.64   0.232% *  0.4293% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  38 - QB    ALA  110  24.05 +/- 2.44   0.148% *  0.1801% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.783, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.43 +/- 3.56  26.576% * 28.1529% (1.00   0.02   0.02) =  36.252%  kept
          HA    GLU-  14 - HB2   ASP-  62  20.80 +/- 3.35  23.981% * 21.5631% (0.76   0.02   0.02) =  25.054%  kept
          HA    ASP-  86 - HB2   ASP-  62  23.25 +/- 3.17  15.435% * 19.3814% (0.69   0.02   0.02) =  14.495%  kept
          HA    TRP   87 - HB2   ASP-  62  21.01 +/- 3.64  21.646% * 12.6499% (0.45   0.02   0.02) =  13.267%  kept
          HA    ALA   12 - HB2   ASP-  62  25.62 +/- 3.36  12.361% * 18.2527% (0.65   0.02   0.02) =  10.932%  kept
    Distance limit 3.54 A violated in 20 structures by 11.86 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.712, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  22.84 +/- 3.04  15.649% * 70.6236% (0.67 10.00   0.02   0.02) =  63.429%  kept
          HA    LEU  104 - HB3   ASP-  62  19.40 +/- 3.13  25.664% * 10.2586% (0.98  1.00   0.02   0.02) =  15.110%  kept
          HA    GLU-  14 - HB3   ASP-  62  20.59 +/- 3.14  23.888% *  7.8573% (0.75  1.00   0.02   0.02) =  10.772%  kept
          HA    TRP   87 - HB3   ASP-  62  20.62 +/- 3.48  22.143% *  4.6095% (0.44  1.00   0.02   0.02) =   5.858%  kept
          HA    ALA   12 - HB3   ASP-  62  25.32 +/- 3.28  12.656% *  6.6511% (0.63  1.00   0.02   0.02) =   4.831%  kept
    Distance limit 3.27 A violated in 20 structures by 12.07 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.12, residual support = 4.2:
          HN    LYS+  65 - HA    ASP-  62   3.67 +/- 0.51 100.000% *100.0000% (0.15   1.12   4.20) = 100.000%  kept
    Distance limit 3.72 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   2.73 +/- 0.05  96.631% * 99.7294% (1.00  10.0   3.83  41.00) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  13.57 +/- 2.61   1.374% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.60 +/- 2.13   1.254% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  17.48 +/- 2.15   0.434% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  19.67 +/- 2.25   0.306% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB2   ASP-  62   3.63 +/- 0.46  86.191% * 97.1699% (0.97   5.24  42.38) =  99.783%  kept
          HN    ILE   56 - HB2   ASP-  62   9.96 +/- 1.90   9.038% *  1.9071% (0.90   0.11   0.02) =   0.205%  kept
          HN    LYS+ 111 - HB2   ASP-  62  14.92 +/- 2.67   1.893% *  0.2022% (0.53   0.02   0.02) =   0.005%
          HD21  ASN   28 - HB2   ASP-  62  19.80 +/- 3.68   1.025% *  0.2640% (0.69   0.02   0.02) =   0.003%
          HN    ALA   84 - HB2   ASP-  62  19.69 +/- 3.01   0.761% *  0.2022% (0.53   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB2   ASP-  62  18.91 +/- 2.68   0.818% *  0.1871% (0.49   0.02   0.02) =   0.002%
          HE21  GLN   32 - HB2   ASP-  62  26.15 +/- 2.39   0.274% *  0.0673% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.06 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   2.56 +/- 0.49  94.444% * 99.6462% (0.69  10.0   3.83  41.00) =  99.992%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.05 +/- 3.27   5.052% *  0.1400% (0.97   1.0   0.02   0.02) =   0.008%
          HN    LYS+  38 - HB2   ASP-  62  21.24 +/- 2.27   0.223% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  19.04 +/- 2.23   0.280% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB3   ASP-  62   3.23 +/- 0.51  87.631% * 97.1699% (0.95   5.24  42.38) =  99.811%  kept
          HN    ILE   56 - HB3   ASP-  62  10.10 +/- 2.00   8.003% *  1.9071% (0.88   0.11   0.02) =   0.179%  kept
          HN    LYS+ 111 - HB3   ASP-  62  14.71 +/- 2.57   1.641% *  0.2022% (0.52   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB3   ASP-  62  19.18 +/- 3.85   0.799% *  0.2640% (0.67   0.02   0.02) =   0.002%
          HN    ALA   84 - HB3   ASP-  62  19.19 +/- 3.00   0.889% *  0.2022% (0.52   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB3   ASP-  62  18.58 +/- 2.45   0.814% *  0.1871% (0.48   0.02   0.02) =   0.002%
          HE21  GLN   32 - HB3   ASP-  62  25.78 +/- 2.75   0.223% *  0.0673% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.73 +/- 0.50  94.089% * 99.7294% (0.98  10.0   3.83  41.00) =  99.996%  kept
          HN    ARG+  54 - HB3   ASP-  62  12.12 +/- 3.20   2.770% *  0.0867% (0.85   1.0   0.02   0.02) =   0.003%
          HN    PHE   55 - HB3   ASP-  62  11.97 +/- 2.60   2.317% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  18.56 +/- 2.61   0.507% *  0.0980% (0.96   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ASP-  62  21.12 +/- 2.53   0.317% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.827, support = 2.66, residual support = 5.87:
          QB    LYS+  66 - HA    LEU   63   3.80 +/- 0.81  51.985% * 50.5691% (1.00   2.12   7.31) =  60.227%  kept
          QB    LYS+  65 - HA    LEU   63   4.58 +/- 0.74  36.831% * 47.0377% (0.57   3.49   3.70) =  39.690%  kept
          HG    LEU  123 - HA    LEU   63  14.49 +/- 3.86   3.177% *  0.2697% (0.57   0.02   0.02) =   0.020%
          HG2   PRO   93 - HA    LEU   63  13.91 +/- 3.85   1.883% *  0.4273% (0.90   0.02   0.02) =   0.018%
          HB    VAL   41 - HA    LEU   63  13.87 +/- 2.37   1.379% *  0.4507% (0.95   0.02   0.02) =   0.014%
          HB2   LEU   71 - HA    LEU   63  12.53 +/- 1.87   1.949% *  0.2507% (0.53   0.02   0.02) =   0.011%
          HB3   PRO   52 - HA    LEU   63  15.77 +/- 4.28   1.794% *  0.2697% (0.57   0.02   0.02) =   0.011%
          HG12  ILE  103 - HA    LEU   63  17.62 +/- 2.63   0.614% *  0.3979% (0.84   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HA    LEU   63  19.99 +/- 2.40   0.388% *  0.3273% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.31 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.589, support = 2.46, residual support = 7.7:
          HN    LYS+  66 - HA    LEU   63   3.73 +/- 0.41  71.680% * 59.2471% (0.53   2.72   7.31) =  85.454%  kept
          QD    PHE   60 - HA    LEU   63   6.23 +/- 0.60  18.181% * 39.4755% (0.97   0.99  10.07) =  14.442%  kept
          QE    PHE   59 - HA    LEU   63   8.79 +/- 2.00   9.571% *  0.4935% (0.14   0.09   0.02) =   0.095%
          HN    LYS+  81 - HA    LEU   63  20.13 +/- 2.47   0.567% *  0.7839% (0.95   0.02   0.02) =   0.009%
    Distance limit 3.72 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 241.2:
      O   HN    LEU   63 - HA    LEU   63   2.78 +/- 0.06  94.611% * 99.6457% (1.00  10.0   7.54 241.19) =  99.996%  kept
          HN    ILE   56 - HA    LEU   63  12.32 +/- 2.19   1.623% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    LEU   63  18.27 +/- 4.47   1.750% *  0.0486% (0.49   1.0   0.02   0.23) =   0.001%
          HN    LYS+ 111 - HA    LEU   63  16.24 +/- 3.61   1.092% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    LEU   63  19.33 +/- 2.22   0.311% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  18.21 +/- 3.01   0.418% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  24.16 +/- 3.15   0.195% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.488, support = 1.49, residual support = 9.96:
        T HA    PHE   60 - HB2   LEU   63   3.41 +/- 0.74  64.634% * 92.2845% (0.49 10.00   1.50  10.07) =  98.831%  kept
          QB    SER   48 - HB2   LEU   63  12.54 +/- 4.89  11.960% *  4.3396% (0.76  1.00   0.45   0.02) =   0.860%  kept
          HA    LYS+  65 - HB2   LEU   63   7.66 +/- 0.35   7.482% *  2.1859% (0.18  1.00   0.99   3.70) =   0.271%  kept
          HB    THR   94 - HB2   LEU   63  12.99 +/- 3.07   2.682% *  0.2193% (0.87  1.00   0.02   0.02) =   0.010%
          QB    SER  117 - HB2   LEU   63  13.55 +/- 2.49   1.739% *  0.2478% (0.98  1.00   0.02   0.02) =   0.007%
          HA2   GLY   51 - HB2   LEU   63  15.36 +/- 4.15   1.727% *  0.2440% (0.97  1.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - HB2   LEU   63  15.44 +/- 3.34   6.781% *  0.0563% (0.22  1.00   0.02   0.02) =   0.006%
          HA    LYS+ 121 - HB2   LEU   63  15.36 +/- 2.96   1.199% *  0.2334% (0.92  1.00   0.02   0.02) =   0.005%
          HA    ALA  120 - HB2   LEU   63  14.33 +/- 2.83   1.403% *  0.1330% (0.53  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - HB2   LEU   63  20.58 +/- 1.90   0.393% *  0.0563% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 7.63, residual support = 55.0:
          HN    ALA   64 - HB2   LEU   63   3.24 +/- 0.59 100.000% *100.0000% (0.57   7.63  54.99) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.988, support = 2.7, residual support = 16.3:
          QE    PHE   72 - HB2   LEU   63   5.42 +/- 1.48  63.706% * 98.4110% (0.99   2.71  16.43) =  99.427%  kept
          HN    ALA   47 - HB2   LEU   63  11.53 +/- 3.87  25.550% *  1.2879% (0.45   0.08   0.02) =   0.522%  kept
          HD22  ASN   28 - HB2   LEU   63  17.20 +/- 4.32  10.743% *  0.3011% (0.41   0.02   0.23) =   0.051%
    Distance limit 4.10 A violated in 7 structures by 1.11 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.13, residual support = 241.2:
      O   HN    LEU   63 - HB2   LEU   63   2.16 +/- 0.15  97.106% * 99.6457% (1.00  10.0   8.13 241.19) =  99.998%  kept
          HN    ILE   56 - HB2   LEU   63  10.91 +/- 2.03   1.216% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   LEU   63  17.85 +/- 4.46   0.781% *  0.0486% (0.49   1.0   0.02   0.23) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  15.56 +/- 3.21   0.381% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  18.91 +/- 2.24   0.174% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  17.86 +/- 3.53   0.236% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.74 +/- 3.39   0.107% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.52, residual support = 42.1:
          HN    ASP-  62 - HB2   LEU   63   4.63 +/- 0.22  76.597% * 88.9537% (0.76   4.55  42.38) =  99.253%  kept
          HN    LEU   31 - HB2   LEU   63  16.61 +/- 3.58   4.500% * 10.1669% (0.84   0.48   0.27) =   0.666%  kept
          HN    PHE   55 - HB2   LEU   63  12.70 +/- 2.73   6.316% *  0.4588% (0.90   0.02   0.02) =   0.042%
          HN    ARG+  54 - HB2   LEU   63  12.46 +/- 3.62  11.594% *  0.2103% (0.41   0.02   0.02) =   0.036%
          HN    ALA   88 - HB2   LEU   63  20.50 +/- 2.00   0.993% *  0.2103% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.73, residual support = 55.0:
          HN    ALA   64 - HB3   LEU   63   3.74 +/- 0.60 100.000% *100.0000% (0.57   6.73  54.99) = 100.000%  kept
    Distance limit 4.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.28, residual support = 16.4:
        T HZ    PHE   72 - HB3   LEU   63   5.36 +/- 2.26  77.556% * 99.9822% (0.87 10.00   3.28  16.43) =  99.995%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.91 +/- 4.39  22.444% *  0.0178% (0.15  1.00   0.02   2.78) =   0.005%
    Distance limit 4.04 A violated in 9 structures by 1.74 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 241.2:
      O   HN    LEU   63 - HB3   LEU   63   3.31 +/- 0.26  90.818% * 99.6457% (1.00  10.0   7.61 241.19) =  99.993%  kept
          HN    ILE   56 - HB3   LEU   63  12.15 +/- 2.10   2.817% *  0.0990% (0.99   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HB3   LEU   63  17.81 +/- 4.96   3.106% *  0.0486% (0.49   1.0   0.02   0.23) =   0.002%
          HN    LYS+ 111 - HB3   LEU   63  16.30 +/- 3.82   1.356% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  19.18 +/- 2.60   0.617% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  18.06 +/- 4.12   0.926% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.53 +/- 3.85   0.360% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.762, support = 7.58, residual support = 240.4:
          HN    LEU   63 - HG    LEU   63   3.47 +/- 0.50  62.644% * 98.3169% (0.76   7.60 241.19) =  99.640%  kept
          QE    PHE   60 - HG    LEU   63   5.57 +/- 1.62  28.661% *  0.7052% (0.20   0.21  10.07) =   0.327%  kept
          HD21  ASN   28 - HG    LEU   63  17.49 +/- 4.99   4.083% *  0.3123% (0.92   0.02   0.23) =   0.021%
          HN    ILE   56 - HG    LEU   63  11.97 +/- 2.03   1.634% *  0.2189% (0.65   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HG    LEU   63  17.74 +/- 4.00   0.847% *  0.2586% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HG    LEU   63  16.02 +/- 3.89   1.605% *  0.0941% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  19.15 +/- 2.26   0.526% *  0.0941% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.193, support = 2.68, residual support = 9.07:
        T HA    PHE   60 - QD1   LEU   63   3.90 +/- 0.96  28.631% * 57.6046% (0.14 10.00   2.96  10.07) =  89.279%  kept
          QB    SER   48 - QD1   LEU   63  10.95 +/- 4.10   7.569% *  7.8160% (1.00  1.00   0.37   0.02) =   3.202%  kept
        T HA    PHE   60 - QD1   LEU   73  11.69 +/- 2.33   4.642% * 10.2570% (0.14 10.00   0.36   0.85) =   2.577%  kept
          HB    THR   94 - QD1   LEU   63  11.32 +/- 3.02   4.914% *  7.0963% (0.97  1.00   0.35   0.02) =   1.888%  kept
          HA    LYS+  65 - QD1   LEU   63   7.48 +/- 0.67   5.779% *  4.8608% (0.57  1.00   0.40   3.70) =   1.521%  kept
          HB    THR   94 - QD1   LEU   73  10.65 +/- 1.77   2.703% *  5.4420% (0.97  1.00   0.26   0.02) =   0.796%  kept
          HA    ALA  120 - QD1   LEU   63  12.19 +/- 3.28   2.411% *  1.8255% (0.95  1.00   0.09   0.02) =   0.238%  kept
          QB    SER   48 - QD1   LEU   73  12.57 +/- 2.75   3.407% *  0.4247% (1.00  1.00   0.02   0.02) =   0.078%
          HA2   GLY   16 - QD1   LEU   63  12.74 +/- 2.47   3.569% *  0.2754% (0.65  1.00   0.02   0.02) =   0.053%
          HA    LYS+ 121 - QD1   LEU   73  17.76 +/- 4.95   2.477% *  0.3929% (0.92  1.00   0.02   0.02) =   0.053%
          HA    LYS+ 121 - QD1   LEU   63  13.07 +/- 3.42   1.617% *  0.3929% (0.92  1.00   0.02   0.02) =   0.034%
          HA    LYS+ 121 - QD1   LEU  104  12.62 +/- 7.86   6.495% *  0.0962% (0.23  1.00   0.02   0.02) =   0.034%
          HA    LYS+  65 - QD1   LEU   73  10.02 +/- 1.59   2.448% *  0.2410% (0.57  1.00   0.02   0.02) =   0.032%
          QB    SER  117 - QD1   LEU   63  11.61 +/- 3.16   2.195% *  0.2582% (0.61  1.00   0.02   0.02) =   0.031%
          HA    ALA  120 - QD1   LEU   73  17.97 +/- 3.91   1.191% *  0.4026% (0.95  1.00   0.02   0.02) =   0.026%
          HA2   GLY   51 - QD1   LEU   63  13.43 +/- 3.22   1.243% *  0.3692% (0.87  1.00   0.02   0.02) =   0.025%
          QB    SER  117 - QD1   LEU   73  15.77 +/- 3.56   1.729% *  0.2582% (0.61  1.00   0.02   0.02) =   0.024%
          HA2   GLY   16 - QD1   LEU  104  15.62 +/- 4.59   6.229% *  0.0674% (0.16  1.00   0.02   0.02) =   0.023%
          HA2   GLY   16 - QD1   LEU   73  12.60 +/- 2.97   1.305% *  0.2754% (0.65  1.00   0.02   0.02) =   0.019%
          QB    SER   85 - QD1   LEU   73  13.92 +/- 2.25   0.882% *  0.2754% (0.65  1.00   0.02   0.02) =   0.013%
          HA2   GLY   51 - QD1   LEU   73  18.11 +/- 2.80   0.480% *  0.3692% (0.87  1.00   0.02   0.02) =   0.010%
          HA    ALA  120 - QD1   LEU  104  14.53 +/- 5.99   1.498% *  0.0986% (0.23  1.00   0.02   0.02) =   0.008%
          QB    SER   85 - QD1   LEU   63  17.68 +/- 2.31   0.429% *  0.2754% (0.65  1.00   0.02   0.02) =   0.006%
        T HA    PHE   60 - QD1   LEU  104  14.18 +/- 2.68   0.811% *  0.1410% (0.03 10.00   0.02   0.02) =   0.006%
          QB    SER  117 - QD1   LEU  104  12.51 +/- 3.54   1.758% *  0.0632% (0.15  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - QD1   LEU  104  13.12 +/- 1.20   1.070% *  0.1005% (0.24  1.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - QD1   LEU  104  21.88 +/- 4.15   0.948% *  0.0904% (0.21  1.00   0.02   0.02) =   0.005%
          QB    SER   48 - QD1   LEU  104  18.10 +/- 2.78   0.499% *  0.1040% (0.24  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  104  14.94 +/- 1.18   0.628% *  0.0590% (0.14  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD1   LEU  104  17.74 +/- 2.67   0.443% *  0.0674% (0.16  1.00   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 2.99, residual support = 18.1:
        T HZ3   TRP   27 - QD1   LEU   73   4.14 +/- 2.61  52.559% * 59.5520% (0.49 10.00   3.47  22.62) =  77.320%  kept
        T HZ3   TRP   27 - QD1   LEU   63  10.18 +/- 3.72  22.821% * 40.1028% (0.49 10.00   1.35   2.78) =  22.608%  kept
        T HZ3   TRP   27 - QD1   LEU  104  11.17 +/- 3.12  14.762% *  0.1458% (0.12 10.00   0.02   0.02) =   0.053%
          HZ    PHE   45 - QD1   LEU   73   9.02 +/- 1.98   5.475% *  0.0888% (0.73  1.00   0.02   0.02) =   0.012%
          HZ    PHE   45 - QD1   LEU   63  12.52 +/- 2.39   2.220% *  0.0888% (0.73  1.00   0.02   0.02) =   0.005%
          HZ    PHE   45 - QD1   LEU  104  12.76 +/- 2.62   2.162% *  0.0217% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.859, support = 1.58, residual support = 8.14:
          QD    PHE   60 - QD1   LEU   63   3.61 +/- 1.32  39.552% * 36.2394% (0.87   1.81  10.07) =  67.395%  kept
          HN    LYS+  66 - QD1   LEU   63   5.46 +/- 0.79  13.941% * 26.3009% (0.95   1.21   7.31) =  17.241%  kept
          QD    PHE   60 - QD1   LEU   73   9.78 +/- 2.58   8.530% * 25.2198% (0.87   1.26   0.85) =  10.115%  kept
          QE    PHE   59 - QD1   LEU   63   7.51 +/- 2.55  15.206% *  5.4826% (0.49   0.49   0.02) =   3.920%  kept
          HN    PHE   59 - QD1   LEU   63   7.37 +/- 1.60   9.687% *  1.9726% (0.18   0.49   0.02) =   0.899%  kept
          QE    PHE   59 - QD1   LEU   73  12.83 +/- 3.06   5.195% *  0.8989% (0.49   0.08   0.02) =   0.220%  kept
          HN    LYS+  66 - QD1   LEU   73  11.33 +/- 1.11   1.245% *  2.9825% (0.95   0.14   0.02) =   0.175%  kept
          HN    LYS+  81 - QD1   LEU   73  13.02 +/- 3.20   1.161% *  0.2422% (0.53   0.02   0.02) =   0.013%
          HN    LYS+  81 - QD1   LEU   63  17.19 +/- 3.05   0.538% *  0.2422% (0.53   0.02   0.02) =   0.006%
          HN    PHE   59 - QD1   LEU   73  13.98 +/- 2.22   1.314% *  0.0806% (0.18   0.02   0.02) =   0.005%
          QD    PHE   60 - QD1   LEU  104  12.95 +/- 2.53   0.898% *  0.0978% (0.21   0.02   0.02) =   0.004%
          QE    PHE   59 - QD1   LEU  104  12.07 +/- 3.44   1.355% *  0.0549% (0.12   0.02   0.02) =   0.003%
          HN    LYS+  66 - QD1   LEU  104  14.83 +/- 1.80   0.590% *  0.1066% (0.23   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD1   LEU  104  20.22 +/- 2.71   0.227% *  0.0593% (0.13   0.02   0.02) =   0.001%
          HN    PHE   59 - QD1   LEU  104  15.42 +/- 3.64   0.561% *  0.0197% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.743, support = 5.75, residual support = 208.7:
          HN    LEU   63 - QD1   LEU   63   3.54 +/- 0.63  31.133% * 61.5001% (0.76   6.44 241.19) =  86.303%  kept
          QE    PHE   60 - QD1   LEU   63   4.28 +/- 2.00  29.654% *  3.8661% (0.20   1.56  10.07) =   5.168%  kept
          HD21  ASN   28 - QD1   LEU   73   7.15 +/- 2.79   5.445% * 18.4793% (0.92   1.60   0.93) =   4.536%  kept
          HD21  ASN   28 - QD1   LEU   63  14.62 +/- 4.81   6.763% * 10.5764% (0.92   0.92   0.23) =   3.224%  kept
          QE    PHE   60 - QD1   LEU   73   9.43 +/- 3.03   4.765% *  2.2579% (0.20   0.91   0.85) =   0.485%  kept
          HN    LEU   63 - QD1   LEU   73  11.11 +/- 1.35   2.181% *  1.4855% (0.76   0.16   0.02) =   0.146%  kept
          HZ2   TRP   87 - QD1   LEU   73  10.40 +/- 3.61   2.209% *  0.8069% (0.76   0.08   0.02) =   0.080%
          HD21  ASN   28 - QD1   LEU  104  14.87 +/- 4.40   8.106% *  0.0565% (0.23   0.02   0.02) =   0.021%
          HN    ILE   56 - QD1   LEU   63   9.84 +/- 1.80   1.587% *  0.1616% (0.65   0.02   0.02) =   0.012%
          HZ2   TRP   87 - QD1   LEU   63  15.28 +/- 3.91   0.792% *  0.1909% (0.76   0.02   0.02) =   0.007%
          HN    ILE   56 - QD1   LEU   73  16.16 +/- 2.45   0.584% *  0.1616% (0.65   0.02   0.02) =   0.004%
          HN    ALA   84 - QD1   LEU   73  12.24 +/- 2.65   1.026% *  0.0695% (0.28   0.02   0.02) =   0.003%
          HN    LYS+ 111 - QD1   LEU   63  13.49 +/- 3.75   0.985% *  0.0695% (0.28   0.02   0.02) =   0.003%
          HZ2   TRP   87 - QD1   LEU  104  13.15 +/- 4.10   1.165% *  0.0467% (0.19   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   63  16.34 +/- 2.88   0.601% *  0.0695% (0.28   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  13.90 +/- 2.07   0.665% *  0.0467% (0.19   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   73  17.07 +/- 2.96   0.363% *  0.0695% (0.28   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU  104  13.41 +/- 2.77   1.027% *  0.0121% (0.05   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  18.48 +/- 3.29   0.258% *  0.0396% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  16.34 +/- 1.83   0.350% *  0.0170% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  17.70 +/- 2.72   0.339% *  0.0170% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 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   2.78 +/- 0.08 100.000% *100.0000% (0.97  10.0   4.22  20.67) = 100.000%  kept
    Distance limit 3.61 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 = 0.707, support = 3.25, residual support = 46.5:
        T HZ    PHE   72 - HA    ALA   64   2.96 +/- 0.91  62.753% * 39.4733% (0.57 10.00   2.91  46.55) =  53.314%  kept
        T QD    PHE   72 - HA    ALA   64   3.90 +/- 0.65  35.865% * 60.4788% (0.87 10.00   3.62  46.55) =  46.685%  kept
          QE    PHE   45 - HA    ALA   64  11.62 +/- 1.70   1.382% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.872, support = 1.16, residual support = 3.85:
          HN    LEU   67 - HA    ALA   64   3.07 +/- 0.54  80.645% * 55.6566% (0.87   1.20   4.08) =  94.171%  kept
          QE    PHE   95 - HA    ALA   64   9.46 +/- 1.67   8.149% * 29.5539% (0.98   0.56   0.24) =   5.053%  kept
          HE3   TRP   27 - HA    ALA   64  10.97 +/- 2.40   7.046% *  2.7558% (0.57   0.09   0.02) =   0.407%  kept
          HN    THR   23 - HA    ALA   64  14.47 +/- 2.17   1.567% * 10.3761% (0.99   0.20   0.02) =   0.341%  kept
          HD2   HIS   22 - HA    ALA   64  14.87 +/- 1.98   1.319% *  0.4018% (0.38   0.02   0.02) =   0.011%
          QD    PHE   55 - HA    ALA   64  16.10 +/- 1.24   0.654% *  0.6926% (0.65   0.02   0.02) =   0.010%
          HD1   TRP   49 - HA    ALA   64  17.73 +/- 3.77   0.620% *  0.5633% (0.53   0.02   0.02) =   0.007%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.679, support = 2.62, residual support = 6.41:
          QG2   VAL   18 - QB    ALA   64   4.75 +/- 3.08  34.451% * 42.0169% (0.84   2.07   8.74) =  61.310%  kept
          QD2   LEU   73 - QB    ALA   64   4.95 +/- 0.92  18.390% * 39.3454% (0.38   4.31   3.41) =  30.646%  kept
          QD1   ILE   19 - QB    ALA   64   7.52 +/- 1.83  10.996% *  6.9530% (0.38   0.76   0.02) =   3.238%  kept
          QG2   THR   46 - QB    ALA   64   6.96 +/- 1.45  10.935% *  5.9607% (0.73   0.34   0.02) =   2.761%  kept
          QG1   VAL   43 - QB    ALA   64   6.61 +/- 1.05  10.210% *  2.6159% (0.98   0.11   0.02) =   1.131%  kept
          QG1   VAL   41 - QB    ALA   64   7.34 +/- 1.41   7.776% *  2.6451% (0.99   0.11   0.02) =   0.871%  kept
          HG    LEU   31 - QB    ALA   64  10.19 +/- 1.39   1.789% *  0.2562% (0.53   0.02   0.02) =   0.019%
          QD2   LEU  104 - QB    ALA   64  10.62 +/- 1.61   2.398% *  0.1214% (0.25   0.02   0.02) =   0.012%
          QD1   ILE   56 - QB    ALA   64   9.33 +/- 1.15   3.055% *  0.0853% (0.18   0.02   0.02) =   0.011%
    Distance limit 2.99 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.863, support = 1.81, residual support = 5.33:
          HB3   LEU   67 - QB    ALA   64   4.36 +/- 1.20  23.687% * 15.0491% (0.99   1.26   4.08) =  27.692%  kept
          QB    ALA   61 - QB    ALA   64   4.16 +/- 0.58  22.386% * 13.3071% (0.92   1.20   6.00) =  23.142%  kept
          QG    LYS+  66 - QB    ALA   64   6.15 +/- 0.77   8.671% * 28.7323% (0.98   2.44   9.61) =  19.355%  kept
          HG    LEU   73 - QB    ALA   64   6.77 +/- 1.08   7.042% * 27.2327% (0.87   2.61   3.41) =  14.897%  kept
          HG    LEU   67 - QB    ALA   64   4.79 +/- 0.96  15.716% *  8.9348% (0.28   2.67   4.08) =  10.908%  kept
          HG12  ILE   19 - QB    ALA   64   8.06 +/- 2.41   8.471% *  5.9234% (0.65   0.76   0.02) =   3.898%  kept
          HG    LEU   40 - QB    ALA   64   6.85 +/- 1.42   7.651% *  0.0903% (0.38   0.02   0.02) =   0.054%
          QB    ALA  110 - QB    ALA   64  12.36 +/- 2.09   1.255% *  0.1748% (0.73   0.02   0.02) =   0.017%
          HG    LEU   80 - QB    ALA   64  13.19 +/- 2.94   1.161% *  0.1839% (0.76   0.02   0.02) =   0.017%
          HB3   LEU  115 - QB    ALA   64  11.46 +/- 1.13   1.152% *  0.0903% (0.38   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - QB    ALA   64  16.97 +/- 1.59   0.351% *  0.1839% (0.76   0.02   0.02) =   0.005%
          HB2   LEU   80 - QB    ALA   64  13.20 +/- 2.43   0.956% *  0.0600% (0.25   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QB    ALA   64  13.00 +/- 3.49   1.500% *  0.0371% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.864, support = 2.36, residual support = 5.78:
          HB3   LEU   67 - HA    ALA   64   3.41 +/- 1.44  35.081% * 27.0480% (0.99   2.04   4.08) =  47.846%  kept
          QG    LYS+  66 - HA    ALA   64   5.77 +/- 1.05  17.955% * 33.7483% (0.98   2.58   9.61) =  30.554%  kept
          HG    LEU   67 - HA    ALA   64   4.03 +/- 1.14  27.025% * 12.1518% (0.28   3.27   4.08) =  16.559%  kept
          HG    LEU   73 - HA    ALA   64   9.71 +/- 1.42   2.865% * 19.0511% (0.87   1.64   3.41) =   2.753%  kept
          QB    ALA   61 - HA    ALA   64   6.38 +/- 0.50   6.724% *  6.1247% (0.92   0.50   6.00) =   2.077%  kept
          HG12  ILE   19 - HA    ALA   64  10.60 +/- 2.43   3.446% *  0.9653% (0.65   0.11   0.02) =   0.168%  kept
          QB    ALA  110 - HA    ALA   64  15.47 +/- 3.07   1.523% *  0.1940% (0.73   0.02   0.02) =   0.015%
          HG    LEU   40 - HA    ALA   64   8.36 +/- 1.13   2.707% *  0.1003% (0.38   0.02   0.02) =   0.014%
          HG    LEU   80 - HA    ALA   64  17.19 +/- 3.32   0.518% *  0.2042% (0.76   0.02   0.02) =   0.005%
          HB3   LEU  115 - HA    ALA   64  14.34 +/- 1.79   0.889% *  0.1003% (0.38   0.02   0.02) =   0.004%
          HB2   LEU   80 - HA    ALA   64  17.18 +/- 2.72   0.548% *  0.0666% (0.25   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HA    ALA   64  21.05 +/- 2.32   0.176% *  0.2042% (0.76   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  15.83 +/- 4.48   0.542% *  0.0412% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.62, residual support = 46.5:
        T HB3   PHE   72 - QB    ALA   64   4.07 +/- 0.69  46.523% * 99.3598% (0.76 10.00   3.63  46.55) =  99.879%  kept
          HB2   ASP-  44 - QB    ALA   64   4.81 +/- 1.67  35.769% *  0.1128% (0.87  1.00   0.02   0.02) =   0.087%
          QG    GLU-  15 - QB    ALA   64  10.60 +/- 2.81   6.090% *  0.1230% (0.95  1.00   0.02   0.02) =   0.016%
          QG    GLU-  14 - QB    ALA   64  11.83 +/- 3.06   3.455% *  0.1086% (0.84  1.00   0.02   0.02) =   0.008%
          HG12  ILE  119 - QB    ALA   64  10.65 +/- 1.53   3.881% *  0.0443% (0.34  1.00   0.02   0.02) =   0.004%
          QB    MET   11 - QB    ALA   64  16.82 +/- 2.73   1.132% *  0.1166% (0.90  1.00   0.02   0.02) =   0.003%
          QG    GLN   90 - QB    ALA   64  14.68 +/- 1.99   1.132% *  0.0893% (0.69  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  36 - QB    ALA   64  15.74 +/- 1.59   1.023% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QB    ALA   64  14.82 +/- 2.57   0.994% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 2.25, residual support = 5.92:
        T HA    ALA   61 - QB    ALA   64   3.61 +/- 0.59  59.970% * 96.4280% (1.00 10.00   2.27   6.00) =  98.684%  kept
          HD2   PRO   68 - QB    ALA   64   6.29 +/- 1.36  22.007% *  3.4817% (0.92  1.00   0.78   0.02) =   1.308%  kept
          HA    VAL   75 - QB    ALA   64   6.89 +/- 1.31  13.414% *  0.0241% (0.25  1.00   0.02   0.02) =   0.006%
          HD3   PRO   58 - QB    ALA   64  10.63 +/- 1.15   2.418% *  0.0470% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.48 +/- 1.95   2.191% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 2.77, residual support = 8.68:
          HA    VAL   18 - QB    ALA   64   5.77 +/- 3.73  39.466% * 95.1909% (0.90   2.79   8.74) =  99.306%  kept
          HA    VAL   70 - QB    ALA   64   5.74 +/- 1.11  32.690% *  0.3126% (0.41   0.02   0.02) =   0.270%  kept
          HA    SER   48 - QB    ALA   64  11.63 +/- 2.57   7.696% *  0.7193% (0.95   0.02   0.02) =   0.146%  kept
          HA    GLU-  29 - QB    ALA   64  13.99 +/- 1.46   3.771% *  0.6596% (0.87   0.02   0.02) =   0.066%
          HA    LYS+  33 - QB    ALA   64  13.68 +/- 1.34   3.258% *  0.5522% (0.73   0.02   0.02) =   0.048%
          HA    GLN   32 - QB    ALA   64  14.00 +/- 1.06   2.917% *  0.5522% (0.73   0.02   0.02) =   0.043%
          HD2   PRO   52 - QB    ALA   64  13.69 +/- 2.59   3.386% *  0.4001% (0.53   0.02   0.02) =   0.036%
          HB2   SER   82 - QB    ALA   64  17.09 +/- 2.19   1.684% *  0.7193% (0.95   0.02   0.02) =   0.032%
          HA    GLN  116 - QB    ALA   64  12.49 +/- 1.18   3.511% *  0.3126% (0.41   0.02   0.02) =   0.029%
          HA    ALA   88 - QB    ALA   64  17.13 +/- 1.71   1.621% *  0.5811% (0.76   0.02   0.02) =   0.025%
    Distance limit 3.77 A violated in 6 structures by 0.78 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.502, support = 1.14, residual support = 0.796:
        T HA    GLN   17 - QB    ALA   64   7.44 +/- 3.90  34.832% * 93.9476% (0.49 10.00   1.18   0.82) =  96.503%  kept
        T HA    VAL   42 - QB    ALA   64   6.78 +/- 1.15  32.760% *  3.2188% (0.98 10.00   0.02   0.02) =   3.110%  kept
        T HA    PHE   55 - QB    ALA   64  14.34 +/- 0.95   4.035% *  2.2557% (0.69 10.00   0.02   0.02) =   0.268%  kept
          HA    THR   46 - QB    ALA   64   9.70 +/- 1.93  13.999% *  0.1350% (0.41  1.00   0.02   0.02) =   0.056%
          HA    SER   37 - QB    ALA   64  13.43 +/- 1.47   5.821% *  0.1598% (0.49  1.00   0.02   0.02) =   0.027%
          HA    GLN   90 - QB    ALA   64  14.99 +/- 2.31   4.149% *  0.1598% (0.49  1.00   0.02   0.02) =   0.020%
          HA    ALA  110 - QB    ALA   64  14.45 +/- 2.22   4.405% *  0.1232% (0.38  1.00   0.02   0.02) =   0.016%
    Distance limit 4.12 A violated in 8 structures by 1.43 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.25, residual support = 8.74:
          HN    VAL   18 - QB    ALA   64   6.38 +/- 3.79  67.632% * 99.5974% (1.00   2.25   8.74) =  99.917%  kept
          HN    GLU-  29 - QB    ALA   64  13.13 +/- 1.62  25.892% *  0.1556% (0.18   0.02   0.02) =   0.060%
          HN    SER   13 - QB    ALA   64  15.90 +/- 2.37   6.476% *  0.2470% (0.28   0.02   0.02) =   0.024%
    Distance limit 3.94 A violated in 10 structures by 2.65 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.82, support = 5.72, residual support = 46.5:
        T QD    PHE   72 - QB    ALA   64   2.70 +/- 0.25  47.427% * 85.0168% (0.87 10.00   5.78  46.55) =  84.203%  kept
          HZ    PHE   72 - QB    ALA   64   2.75 +/- 0.76  50.704% * 14.9159% (0.57  1.00   5.38  46.55) =  15.794%  kept
          QE    PHE   45 - QB    ALA   64   8.71 +/- 1.50   1.868% *  0.0673% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 3.52 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   2.02 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.67) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 157.1:
      O   HN    LYS+  65 - HA    LYS+  65   2.79 +/- 0.08  99.456% * 99.9887% (0.71  10.0   6.08 157.13) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  17.45 +/- 2.51   0.544% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.739, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  13.38 +/- 5.12  29.849% * 34.8898% (0.87   0.02   0.02) =  63.887%  kept
          HN    SER   82 - HA    LYS+  65  20.04 +/- 3.70   8.910% * 26.7825% (0.67   0.02   0.02) =  14.640%  kept
          HN    SER  117 - HA    LYS+  65  18.51 +/- 1.28   6.115% * 28.1870% (0.71   0.02   0.02) =  10.575%  kept
          HN    SER  117 - HA    LYS+ 121   9.22 +/- 0.93  49.466% *  3.1809% (0.08   0.02   0.02) =   9.653%  kept
          HN    GLY   16 - HA    LYS+ 121  24.54 +/- 4.35   3.508% *  3.9373% (0.10   0.02   0.02) =   0.847%  kept
          HN    SER   82 - HA    LYS+ 121  27.90 +/- 3.85   2.151% *  3.0224% (0.08   0.02   0.02) =   0.399%  kept
    Distance limit 3.51 A violated in 20 structures by 4.96 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 = 29.4:
          HN    LYS+  65 - QB    ALA   64   2.96 +/- 0.16 100.000% *100.0000% (0.31   4.87  29.37) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.08, residual support = 46.5:
          QE    PHE   72 - HA    ALA   64   2.55 +/- 0.52  99.136% * 99.3463% (0.65   4.08  46.55) =  99.994%  kept
          HD22  ASN   28 - HA    ALA   64  15.47 +/- 2.99   0.864% *  0.6537% (0.87   0.02   0.02) =   0.006%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.97, residual support = 4.2:
          HA    ASP-  62 - QB    LYS+  65   3.03 +/- 1.11  94.697% * 98.0232% (0.80   1.97   4.20) =  99.970%  kept
          HB    THR   26 - QB    LYS+  65  15.13 +/- 2.52   1.865% *  0.7039% (0.57   0.02   0.02) =   0.014%
          HA    SER   82 - QB    LYS+  65  19.39 +/- 3.53   1.130% *  0.8043% (0.65   0.02   0.02) =   0.010%
          HA    SER  117 - QB    LYS+  65  16.35 +/- 1.22   1.017% *  0.2768% (0.22   0.02   0.02) =   0.003%
          HA    GLU-  25 - QB    LYS+  65  17.78 +/- 3.18   1.292% *  0.1918% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.51 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.5, residual support = 157.1:
      O   HN    LYS+  65 - QB    LYS+  65   2.13 +/- 0.12 100.000% *100.0000% (0.76  10.0   6.50 157.13) = 100.000%  kept
    Distance limit 2.91 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 = 5.85, residual support = 29.6:
          HN    LYS+  66 - QB    LYS+  65   3.15 +/- 0.33  83.928% * 92.5342% (0.53   5.90  29.94) =  99.009%  kept
          QD    PHE   60 - QB    LYS+  65   7.20 +/- 1.14  11.257% *  6.8213% (0.97   0.24   0.02) =   0.979%  kept
          HN    LYS+  81 - QB    LYS+  65  16.69 +/- 3.60   1.112% *  0.5638% (0.95   0.02   0.02) =   0.008%
          QE    PHE   59 - QB    LYS+  65   9.35 +/- 0.87   3.703% *  0.0807% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.11 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.35, residual support = 157.1:
          HN    LYS+  65 - HG2   LYS+  65   3.77 +/- 0.62 100.000% *100.0000% (0.31   5.35 157.13) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.827, support = 5.12, residual support = 136.2:
      O T HA    LYS+  65 - HG3   LYS+  65   3.33 +/- 0.53  42.285% * 57.2471% (0.87  10.0 10.00   5.27 157.13) =  85.244%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.70 +/- 0.72  10.649% * 39.1477% (0.59   1.0 10.00   4.27  15.28) =  14.680%  kept
        T HA    LYS+  65 - HG3   LYS+  33  16.33 +/- 2.74   0.821% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.014%
        T HA    GLN   32 - HG3   LYS+ 102  17.13 +/- 5.78   0.903% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.012%
          QB    SER   48 - HG3   LYS+  65  13.13 +/- 5.45  11.413% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          HA    SER   48 - HG3   LYS+  65  13.86 +/- 5.46   5.915% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - HG3   LYS+  65  15.04 +/- 5.39  10.407% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - HG3   LYS+  65  21.57 +/- 2.37   0.226% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HG3   LYS+ 106  18.19 +/- 2.75   0.379% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HG3   LYS+  65  15.24 +/- 5.42   1.605% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 102  23.24 +/- 2.62   0.171% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HG3   LYS+  65  16.34 +/- 4.75   1.317% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HG3   LYS+ 102  23.29 +/- 6.88   1.410% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  33  12.34 +/- 2.42   1.321% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  20.27 +/- 3.97   0.314% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HG3   LYS+ 106  20.21 +/- 3.11   0.224% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 106  16.14 +/- 6.91   1.105% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 102  22.20 +/- 8.82   0.363% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  33  24.81 +/- 6.86   0.319% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  19.79 +/- 2.11   0.256% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 102  19.76 +/- 4.69   0.420% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  14.55 +/- 3.60   0.786% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.92 +/- 5.06   0.385% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  20.77 +/- 4.24   0.252% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.27 +/- 5.92   0.533% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  16.11 +/- 3.15   0.503% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.61 +/- 1.30   2.262% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  23.74 +/- 4.78   0.196% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  18.97 +/- 2.57   0.297% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  22.45 +/- 4.83   0.196% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  17.30 +/- 5.28   0.597% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  25.55 +/- 5.46   0.198% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  24.47 +/- 6.47   0.183% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.22 +/- 4.02   0.119% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.31 +/- 3.53   0.084% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.87 +/- 3.55   0.070% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.17 +/- 3.56   0.131% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.19 +/- 1.66   0.309% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  22.06 +/- 3.87   0.181% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.73 +/- 2.23   0.218% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.17 +/- 3.96   0.094% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.30 +/- 2.32   0.200% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  18.52 +/- 2.12   0.265% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  24.97 +/- 3.38   0.117% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.346, support = 2.79, residual support = 23.6:
          HN    ASP- 105 - HG3   LYS+ 106   4.36 +/- 0.46  74.597% * 76.9857% (0.34   2.87  24.44) =  96.593%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.40 +/- 1.36  11.384% * 17.0771% (0.65   0.33   0.02) =   3.270%  kept
          HN    ALA   88 - HG3   LYS+ 106  13.76 +/- 3.77   4.240% *  0.3789% (0.24   0.02   0.02) =   0.027%
          HN    ASP- 105 - HG3   LYS+  33  18.63 +/- 2.60   1.253% *  1.1026% (0.69   0.02   0.02) =   0.023%
          HN    ASP- 105 - HG3   LYS+  65  19.42 +/- 2.43   1.063% *  1.2768% (0.80   0.02   0.02) =   0.023%
          HN    ALA   88 - HG3   LYS+ 102  18.71 +/- 5.29   1.834% *  0.7347% (0.46   0.02   0.02) =   0.023%
          HN    ALA   88 - HG3   LYS+  65  21.58 +/- 4.53   1.429% *  0.9028% (0.57   0.02   0.02) =   0.022%
          HN    PHE   55 - HG3   LYS+  65  16.04 +/- 2.63   1.976% *  0.2460% (0.15   0.02   0.02) =   0.008%
          HN    ALA   88 - HG3   LYS+  33  24.70 +/- 4.54   0.560% *  0.7796% (0.49   0.02   0.02) =   0.007%
          HN    PHE   55 - HG3   LYS+ 106  20.71 +/- 3.53   0.967% *  0.1033% (0.06   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+  33  27.51 +/- 2.61   0.391% *  0.2125% (0.13   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+ 102  29.54 +/- 3.12   0.305% *  0.2002% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.26 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 = 5.17, residual support = 117.3:
      O   HN    LYS+  66 - HA    LYS+  66   2.90 +/- 0.04  94.161% * 99.6126% (0.53  10.0   5.17 117.31) =  99.991%  kept
          QD    PHE   60 - HA    LYS+  66  10.23 +/- 1.21   3.913% *  0.1827% (0.97   1.0   0.02   0.02) =   0.008%
          HN    LYS+  81 - HA    LYS+  66  21.22 +/- 3.77   0.335% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    LYS+  66  12.86 +/- 2.28   1.592% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.37, residual support = 117.3:
      O   HN    LYS+  66 - QB    LYS+  66   2.38 +/- 0.24  95.199% * 99.6126% (0.53  10.0   5.37 117.31) =  99.994%  kept
          QD    PHE   60 - QB    LYS+  66   8.18 +/- 0.72   2.676% *  0.1827% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+  81 - QB    LYS+  66  19.00 +/- 2.79   0.281% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    LYS+  66  10.50 +/- 2.48   1.843% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.514, support = 4.92, residual support = 114.8:
          HN    LYS+  66 - QG    LYS+  66   3.04 +/- 0.75  59.132% * 93.0557% (0.53   4.95 117.31) =  97.531%  kept
          HN    LYS+  66 - HG    LEU   67   5.25 +/- 1.08  25.304% *  5.3694% (0.04   3.71  14.70) =   2.408%  kept
          QD    PHE   60 - QG    LYS+  66   8.42 +/- 1.13   3.601% *  0.6896% (0.97   0.02   0.02) =   0.044%
          QE    PHE   59 - QG    LYS+  66  10.63 +/- 2.68   4.279% *  0.0967% (0.14   0.02   0.02) =   0.007%
          QD    PHE   60 - HG    LEU   67   9.25 +/- 2.04   4.844% *  0.0531% (0.07   0.02   0.02) =   0.005%
          HN    LYS+  81 - QG    LYS+  66  19.26 +/- 3.24   0.349% *  0.6760% (0.95   0.02   0.02) =   0.004%
          HN    LYS+  81 - HG    LEU   67  20.65 +/- 3.42   0.360% *  0.0520% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  13.18 +/- 2.62   2.131% *  0.0074% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.525, support = 4.93, residual support = 117.2:
          HN    LYS+  66 - QD    LYS+  66   4.28 +/- 0.34  56.585% * 98.2115% (0.53   4.94 117.31) =  99.875%  kept
          QD    PHE   60 - QD    LYS+  66   9.37 +/- 1.23   6.689% *  0.7294% (0.97   0.02   0.02) =   0.088%
          QE    PHE   59 - QD    LYS+  66  11.56 +/- 2.83   6.616% *  0.1023% (0.14   0.02   0.02) =   0.012%
          HN    LYS+  81 - QD    LYS+  66  19.97 +/- 3.36   0.790% *  0.7150% (0.95   0.02   0.02) =   0.010%
          QD    PHE   60 - HD2   LYS+ 121  12.29 +/- 2.26   4.602% *  0.0907% (0.12   0.02   0.02) =   0.008%
          QE    PHE   59 - HD2   LYS+ 121   6.74 +/- 1.61  21.679% *  0.0127% (0.02   0.02   0.02) =   0.005%
          HN    LYS+  66 - HD2   LYS+ 121  15.74 +/- 3.76   2.639% *  0.0494% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HD2   LYS+ 121  25.50 +/- 3.36   0.400% *  0.0889% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.64, residual support = 59.9:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  69.480% * 41.2660% (0.47  10.0 10.00   3.07  60.40) =  71.727%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.56 +/- 0.22  23.504% * 46.3209% (0.53  10.0  1.00   5.13  60.40) =  27.236%  kept
          QG    LYS+  66 - HB2   LEU   67   5.87 +/- 1.33   3.726% * 10.9445% (0.61   1.0  1.00   4.11  14.70) =   1.020%  kept
        T HG    LEU   40 - HB2   LEU   67   8.59 +/- 2.45   1.034% *  0.5328% (0.61   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   LEU  115 - HB2   LEU   67  16.10 +/- 2.56   0.119% *  0.5328% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  115 - HB2   LEU   67  16.36 +/- 2.77   0.133% *  0.1774% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   LEU   67   8.59 +/- 1.13   0.723% *  0.0310% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.38 +/- 1.55   0.300% *  0.0616% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.76 +/- 2.98   0.473% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  16.76 +/- 3.88   0.213% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  21.26 +/- 3.36   0.048% *  0.0636% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  16.61 +/- 3.97   0.165% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  18.70 +/- 3.47   0.082% *  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 = 60.3:
      O T QD1   LEU   67 - HB2   LEU   67   2.47 +/- 0.36  83.776% * 97.7766% (0.70  10.0 10.00   3.25  60.40) =  99.882%  kept
        T QD2   LEU   40 - HB2   LEU   67   8.09 +/- 2.41   4.639% *  0.9931% (0.71   1.0 10.00   0.02   0.02) =   0.056%
          QD2   LEU   71 - HB2   LEU   67   7.39 +/- 1.07   4.698% *  0.9661% (0.22   1.0  1.00   0.62   0.02) =   0.055%
          HB    VAL   75 - HB2   LEU   67   9.62 +/- 1.92   3.199% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HB2   LEU   67  10.32 +/- 2.69   2.739% *  0.0811% (0.58   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - HB2   LEU   67  14.58 +/- 2.28   0.498% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  15.04 +/- 2.29   0.452% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.3:
          HA    LEU   67 - QD2   LEU   67   2.72 +/- 0.79  91.926% * 98.8214% (0.53   2.76  60.40) =  99.895%  kept
          HA    ASP-  76 - QD2   LEU   67  11.14 +/- 2.79   8.074% *  1.1786% (0.87   0.02   0.02) =   0.105%  kept
    Distance limit 3.00 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.08, residual support = 60.3:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  70.345% * 96.8242% (0.73  10.0  1.00   3.09  60.40) =  99.818%  kept
        T HB2   LYS+  74 - QD1   LEU   67   7.07 +/- 2.76  16.836% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.102%  kept
        T HG    LEU   40 - QD1   LEU   67   6.89 +/- 1.94   4.698% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.056%
        T HG    LEU  115 - QD1   LEU   67  13.31 +/- 2.67   0.542% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.011%
          HB3   LEU   40 - QD1   LEU   67   8.54 +/- 2.11   4.345% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.008%
        T HG    LEU   73 - QD1   LEU   67   8.80 +/- 1.70   1.395% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QD1   LEU   67  13.66 +/- 3.31   0.559% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD1   LEU   67  13.07 +/- 2.51   0.494% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.96 +/- 1.45   0.613% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  17.12 +/- 2.82   0.173% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.324, support = 3.22, residual support = 59.3:
      O T HB2   LEU   67 - QD1   LEU   67   2.47 +/- 0.36  74.186% * 75.9707% (0.31  10.0 10.00   3.25  60.40) =  97.394%  kept
          HG2   PRO   68 - QD1   LEU   67   6.39 +/- 1.06   6.481% * 22.9689% (0.92   1.0  1.00   2.02  19.54) =   2.572%  kept
          HB2   GLN   17 - QD1   LEU   67   8.78 +/- 3.13  12.059% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.014%
          HB    ILE   19 - QD1   LEU   67   9.19 +/- 1.95   2.549% *  0.2135% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU  115 - QD1   LEU   67  13.49 +/- 2.86   0.862% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD1   LEU   67  14.75 +/- 2.97   0.653% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD1   LEU   67  10.83 +/- 2.50   1.821% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   LEU   67  13.68 +/- 1.73   0.561% *  0.1787% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  17.04 +/- 2.32   0.330% *  0.1104% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   LEU   67  17.38 +/- 3.49   0.497% *  0.0548% (0.22   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.2, residual support = 60.3:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  78.398% * 98.2495% (0.87  10.0  1.00   3.20  60.40) =  99.795%  kept
          QD2   LEU   67 - QG    LYS+  66   5.02 +/- 1.12  10.637% *  1.0394% (0.07   1.0  1.00   2.75  14.70) =   0.143%  kept
        T QD1   LEU   40 - HG    LEU   67   7.24 +/- 2.45   6.923% *  0.6870% (0.61   1.0 10.00   0.02   0.02) =   0.062%
          QG2   ILE  119 - HG    LEU   67  13.52 +/- 3.67   0.899% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.75 +/- 1.42   1.038% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66  10.81 +/- 3.44   2.104% *  0.0013% (0.01   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.755, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  11.57 +/- 1.93  31.124% * 52.9912% (0.98   0.02   0.02) =  53.389%  kept
          QG1   VAL   83 - QD1   LEU   67  12.30 +/- 2.73  26.636% * 34.9728% (0.65   0.02   0.02) =  30.154%  kept
          QD1   LEU  104 - QD1   LEU   67  10.51 +/- 2.80  42.240% * 12.0360% (0.22   0.02   0.02) =  16.457%  kept
    Distance limit 3.20 A violated in 20 structures by 5.38 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.07, residual support = 27.9:
        T HZ    PHE   72 - QD1   LEU   67   3.28 +/- 0.64  52.361% * 75.7718% (0.97 10.00   3.50  27.86) =  78.267%  kept
        T QD    PHE   72 - QD1   LEU   67   3.61 +/- 0.96  45.507% * 24.2087% (0.41 10.00   1.50  27.86) =  21.733%  kept
          QE    PHE   45 - QD1   LEU   67  10.01 +/- 1.96   2.131% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 27.8:
          QE    PHE   72 - QD1   LEU   67   2.40 +/- 0.68  91.163% * 99.2767% (0.80   4.13  27.86) =  99.971%  kept
          HN    ALA   47 - QD1   LEU   67  12.47 +/- 2.85   2.826% *  0.5381% (0.90   0.02   0.02) =   0.017%
          QD    PHE   95 - QD1   LEU   67   8.59 +/- 2.10   6.010% *  0.1852% (0.31   0.02   0.02) =   0.012%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.641, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  17.73 +/- 3.18   7.227% * 57.9196% (0.73 10.00   0.02   0.02) =  60.092%  kept
        T HA    LEU  115 - HG    LEU   67  16.85 +/- 3.14   7.343% * 15.7849% (0.20 10.00   0.02   0.02) =  16.639%  kept
          HA    LYS+  81 - HG    LEU   67  20.61 +/- 3.40   6.062% *  7.9057% (0.99  1.00   0.02   0.02) =   6.880%  kept
          HA    ALA  124 - HG    LEU   67  21.83 +/- 6.78   6.846% *  6.6623% (0.84  1.00   0.02   0.02) =   6.547%  kept
          HA    GLU-  36 - HG    LEU   67  19.08 +/- 2.66   4.026% *  7.5452% (0.95  1.00   0.02   0.02) =   4.361%  kept
          HA    ASN   28 - HG    LEU   67  16.88 +/- 3.56   9.389% *  1.7758% (0.22  1.00   0.02   0.02) =   2.393%  kept
          HA    ARG+  54 - QG    LYS+  66  13.61 +/- 3.19  16.562% *  0.4459% (0.06  1.00   0.02   0.02) =   1.060%  kept
          HA    ALA  124 - QG    LYS+  66  18.61 +/- 5.70  11.658% *  0.5129% (0.06  1.00   0.02   0.02) =   0.858%  kept
          HA    LYS+  81 - QG    LYS+  66  19.29 +/- 3.41   5.968% *  0.6086% (0.08  1.00   0.02   0.02) =   0.521%  kept
          HA    GLU-  36 - QG    LYS+  66  21.09 +/- 1.93   2.937% *  0.5808% (0.07  1.00   0.02   0.02) =   0.245%  kept
          HA    LEU  115 - QG    LYS+  66  14.31 +/- 3.19  13.128% *  0.1215% (0.02  1.00   0.02   0.02) =   0.229%  kept
          HA    ASN   28 - QG    LYS+  66  17.93 +/- 3.67   8.853% *  0.1367% (0.02  1.00   0.02   0.02) =   0.174%  kept
    Distance limit 4.02 A violated in 20 structures by 4.97 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.153, support = 3.83, residual support = 60.1:
      O   HA    LEU   67 - HG    LEU   67   3.48 +/- 0.48  62.564% * 98.0628% (0.15  10.0   3.83  60.40) =  99.346%  kept
          HA    LEU   67 - QG    LYS+  66   4.99 +/- 1.02  30.076% *  1.2767% (0.01   1.0   3.38  14.70) =   0.622%  kept
          HA    ASP-  76 - HG    LEU   67  12.83 +/- 3.10   2.951% *  0.6134% (0.97   1.0   0.02   0.02) =   0.029%
          HA    ASP-  76 - QG    LYS+  66  12.00 +/- 2.85   4.409% *  0.0472% (0.07   1.0   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  12.70 +/- 2.92   9.471% * 26.7757% (0.87   0.02   0.02) =  38.888%  kept
          QE    PHE   95 - HG    LEU   67  11.11 +/- 2.28  10.149% * 11.5851% (0.38   0.02   0.02) =  18.029%  kept
          QD    PHE   60 - HG    LEU   67   9.25 +/- 2.04  17.923% *  5.4059% (0.18   0.02   0.02) =  14.858%  kept
          QD    PHE   55 - HG    LEU   67  17.99 +/- 2.18   2.504% * 24.7171% (0.80   0.02   0.02) =   9.492%  kept
          HN    THR   23 - HG    LEU   67  16.08 +/- 3.26   4.364% * 10.5293% (0.34   0.02   0.02) =   7.046%  kept
          HN    LYS+  81 - HG    LEU   67  20.65 +/- 3.42   1.583% * 13.8391% (0.45   0.02   0.02) =   3.359%  kept
          HE3   TRP   27 - QG    LYS+  66  14.19 +/- 2.55   6.979% *  2.0612% (0.07   0.02   0.02) =   2.206%  kept
          QD    PHE   55 - QG    LYS+  66  14.24 +/- 1.88   6.980% *  1.9027% (0.06   0.02   0.02) =   2.036%  kept
          QE    PHE   95 - QG    LYS+  66  10.21 +/- 2.82  14.665% *  0.8918% (0.03   0.02   0.02) =   2.006%  kept
          QD    PHE   60 - QG    LYS+  66   8.42 +/- 1.13  19.012% *  0.4162% (0.01   0.02   0.02) =   1.213%  kept
          HN    THR   23 - QG    LYS+  66  15.91 +/- 3.10   4.457% *  0.8106% (0.03   0.02   0.02) =   0.554%  kept
          HN    LYS+  81 - QG    LYS+  66  19.26 +/- 3.24   1.915% *  1.0653% (0.03   0.02   0.02) =   0.313%  kept
    Distance limit 3.81 A violated in 18 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.298, support = 3.05, residual support = 60.0:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  94.554% * 74.1275% (0.29  10.0 10.00   3.07  60.40) =  98.924%  kept
          HG2   PRO   68 - HB3   LEU   67   6.04 +/- 0.91   3.272% * 22.9628% (0.87   1.0  1.00   2.07  19.54) =   1.061%  kept
        T HB    ILE   19 - HB3   LEU   67  11.43 +/- 2.04   0.456% *  2.0833% (0.82   1.0 10.00   0.02   0.02) =   0.013%
          HB2   GLN   17 - HB3   LEU   67  10.36 +/- 3.01   0.783% *  0.0668% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HB3   LEU   67  12.84 +/- 3.39   0.389% *  0.0668% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.88 +/- 3.07   0.150% *  0.1650% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.60 +/- 2.30   0.134% *  0.1744% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  18.46 +/- 3.21   0.111% *  0.1923% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  21.10 +/- 2.95   0.074% *  0.1077% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.64 +/- 3.79   0.076% *  0.0535% (0.21   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 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  13.05 +/- 2.09 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.71 A violated in 20 structures by 9.34 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.47, residual support = 60.4:
      O   HN    LEU   67 - HB3   LEU   67   3.11 +/- 0.64  91.273% * 99.4441% (0.54  10.0   4.47  60.40) =  99.991%  kept
          HD2   HIS   22 - HB3   LEU   67  16.10 +/- 2.74   2.233% *  0.1722% (0.93   1.0   0.02   0.02) =   0.004%
          QE    PHE   95 - HB3   LEU   67  11.16 +/- 2.16   3.797% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   LEU   67  19.51 +/- 4.08   0.816% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   LEU   67  19.10 +/- 2.77   0.524% *  0.1524% (0.82   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  16.07 +/- 2.47   1.357% *  0.0391% (0.21   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 60.4:
      O   HA    LEU   67 - HB2   LEU   67   2.66 +/- 0.26  98.627% * 99.8354% (0.38  10.0   5.08  60.40) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  12.93 +/- 2.20   1.373% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.83 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 = 3.32, residual support = 27.8:
          QE    PHE   72 - HB2   LEU   67   3.28 +/- 1.32  90.354% * 99.1018% (0.58   3.32  27.86) =  99.955%  kept
          HN    ALA   47 - HB2   LEU   67  15.69 +/- 3.73   4.103% *  0.6683% (0.65   0.02   0.02) =   0.031%
          QD    PHE   95 - HB2   LEU   67  11.04 +/- 2.07   5.543% *  0.2300% (0.22   0.02   0.02) =   0.014%
    Distance limit 3.77 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.12, residual support = 60.4:
      O   HN    LEU   67 - HB2   LEU   67   3.04 +/- 0.64  89.045% * 99.6033% (0.70  10.0   5.12  60.40) =  99.994%  kept
          QE    PHE   95 - HB2   LEU   67  11.02 +/- 2.40   3.888% *  0.0626% (0.44   1.0   0.02   0.02) =   0.003%
          HD2   HIS   22 - HB2   LEU   67  16.12 +/- 2.88   1.216% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  19.46 +/- 4.51   0.678% *  0.0976% (0.69   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  15.99 +/- 2.67   0.915% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LEU   67  12.52 +/- 2.81   2.887% *  0.0181% (0.13   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   LEU   67  19.07 +/- 2.99   0.791% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.90 +/- 2.02   0.580% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.08, residual support = 27.9:
        T HZ    PHE   72 - HB2   LEU   67   4.36 +/- 1.49  93.896% * 99.9822% (0.63 10.00   3.08  27.86) =  99.999%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.90 +/- 3.80   6.104% *  0.0178% (0.11  1.00   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 2 structures by 0.76 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.544, support = 4.05, residual support = 63.4:
      O T HA    VAL   24 - HB    VAL   24   2.50 +/- 0.27  77.044% * 82.3820% (0.57  10.0 10.00   3.97  64.94) =  94.753%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.14  21.430% * 16.3856% (0.11  10.0  1.00   5.47  36.42) =   5.242%  kept
        T HA    VAL   24 - HB2   PRO   68  20.90 +/- 4.07   0.243% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.004%
          HA    LYS+  38 - HB2   PRO   68  16.08 +/- 3.23   0.566% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.73 +/- 1.66   0.172% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.34 +/- 4.64   0.545% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.23, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  88.674% * 98.0584% (0.63  10.0 10.00   3.23  64.94) =  99.987%  kept
          HB3   LEU   31 - HB2   PRO   68  18.11 +/- 4.39   7.386% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.008%
        T QG1   VAL   24 - HB2   PRO   68  19.43 +/- 3.95   0.247% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB    VAL   24  11.79 +/- 0.77   0.534% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.48 +/- 1.15   1.162% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.24 +/- 3.12   0.294% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  18.16 +/- 3.80   0.255% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.95 +/- 4.56   0.147% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.63 +/- 4.82   0.269% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.30 +/- 3.16   0.692% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.32 +/- 5.77   0.149% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.48 +/- 2.66   0.191% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.352, support = 5.67, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.57 +/- 0.60  44.263% * 67.3179% (0.34  10.0   5.84  31.05) =  77.570%  kept
          HN    GLU-  25 - HB    VAL   24   3.79 +/- 0.55  38.624% * 17.5615% (0.31   1.0   5.87  33.88) =  17.658%  kept
          HN    ASN   28 - HB    VAL   24   5.62 +/- 0.39  12.453% * 14.6897% (0.66   1.0   2.28  14.89) =   4.762%  kept
          HN    ASP-  44 - HB    VAL   24  12.73 +/- 2.79   2.589% *  0.0649% (0.33   1.0   0.02   0.02) =   0.004%
          HN    ASN   28 - HB2   PRO   68  20.83 +/- 4.02   0.679% *  0.1580% (0.81   1.0   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   PRO   68  14.98 +/- 2.50   0.784% *  0.0797% (0.41   1.0   0.02   0.02) =   0.002%
          HN    ASN   69 - HB    VAL   24  20.77 +/- 3.65   0.351% *  0.0548% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  23.54 +/- 4.22   0.258% *  0.0734% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.50 +/- 0.21  99.759% * 99.8774% (0.33  10.0   4.68  64.94) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  22.53 +/- 4.14   0.241% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.1, residual support = 36.4:
      O   HD3   PRO   68 - HG2   PRO   68   2.69 +/- 0.29  94.710% * 99.5120% (0.57  10.0   3.10  36.42) =  99.994%  kept
          HB3   CYS   53 - HG2   PRO   68  18.69 +/- 6.15   1.810% *  0.1168% (0.67   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG2   PRO   68  21.82 +/- 6.11   0.992% *  0.1189% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   PRO   68  21.38 +/- 5.25   0.878% *  0.1033% (0.60   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   68  15.78 +/- 3.57   0.994% *  0.0580% (0.33   1.0   0.02   0.02) =   0.001%
          QB    PHE   55 - HG2   PRO   68  19.17 +/- 4.43   0.616% *  0.0910% (0.52   1.0   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 36.4:
      O   HD2   PRO   68 - HG2   PRO   68   2.50 +/- 0.28  96.242% * 99.8205% (0.63  10.0   2.91  36.42) =  99.998%  kept
          HA    ALA   61 - HG2   PRO   68  11.96 +/- 2.27   1.767% *  0.0826% (0.52   1.0   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   PRO   68  20.35 +/- 4.20   0.338% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.85 +/- 3.53   1.218% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.00 +/- 3.45   0.435% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.719, support = 4.82, residual support = 61.4:
      O   HD3   PRO   68 - HG3   PRO   68   2.51 +/- 0.29  46.636% * 69.4069% (0.84  10.0  1.00   4.82  36.42) =  79.737%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.80 +/- 0.26  34.905% * 22.1243% (0.27  10.0 10.00   4.90 169.52) =  19.024%  kept
          QB    PHE   55 - HG2   ARG+  54   5.22 +/- 1.47  11.970% *  3.0098% (0.20   1.0  1.00   3.55   4.32) =   0.888%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.29 +/- 0.72   3.225% *  4.3238% (0.26   1.0  1.00   3.98  31.64) =   0.343%  kept
        T HD2   ARG+  54 - HG3   PRO   68  21.91 +/- 6.12   0.252% *  0.8291% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HB3   CYS   53 - HG3   PRO   68  18.75 +/- 6.11   0.466% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG3   PRO   68  21.26 +/- 5.53   0.448% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  14.17 +/- 4.73   0.610% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.29 +/- 4.27   0.169% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.89 +/- 3.30   0.262% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.34 +/- 1.72   0.863% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  19.91 +/- 4.83   0.193% *  0.0185% (0.22   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.61, residual support = 36.4:
      O   HD2   PRO   68 - HG3   PRO   68   2.68 +/- 0.28  90.826% * 99.5569% (0.92  10.0  1.00   4.61  36.42) =  99.995%  kept
        T HA    LYS+  38 - HG3   PRO   68  16.14 +/- 3.22   1.257% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HG3   PRO   68  12.13 +/- 2.16   1.648% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HG3   PRO   68  20.19 +/- 4.51   0.667% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.52 +/- 1.51   0.851% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  19.97 +/- 5.00   0.652% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.87 +/- 0.98   2.913% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  23.51 +/- 5.09   0.613% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.14 +/- 3.18   0.487% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  28.94 +/- 3.70   0.085% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.19, residual support = 36.4:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  78.483% * 98.5022% (0.98  10.0 10.00   5.19  36.42) =  99.993%  kept
        T HD3   PRO   93 - HD2   PRO   68  19.84 +/- 4.68   0.299% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          QB    PHE   55 - HD3   PRO   58   6.73 +/- 1.39  11.269% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   4.83 +/- 1.07   5.959% *  0.0070% (0.07   1.0  1.00   0.02  40.08) =   0.001%
          HB3   CYS   53 - HD2   PRO   68  17.35 +/- 5.34   0.325% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  14.64 +/- 3.66   0.281% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.49 +/- 2.84   0.215% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.58 +/- 1.78   2.271% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  18.20 +/- 3.47   0.109% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  20.85 +/- 5.25   0.126% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.80 +/- 2.53   0.116% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.81 +/- 1.31   0.546% *  0.0058% (0.06   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.19, residual support = 36.4:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  97.570% * 99.4504% (0.92  10.0 10.00   5.19  36.42) =  99.998%  kept
        T HD2   PRO   68 - HD3   PRO   93  19.84 +/- 4.68   0.371% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HD3   PRO   68  10.40 +/- 1.69   0.650% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   58 - HD3   PRO   68  16.80 +/- 2.53   0.144% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  18.64 +/- 4.38   0.269% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  14.64 +/- 3.66   0.347% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.90 +/- 2.76   0.277% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.97 +/- 2.54   0.219% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.76 +/- 3.41   0.127% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.13 +/- 1.30   0.027% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.21, residual support = 19.5:
      O   HA    LEU   67 - HD3   PRO   68   2.20 +/- 0.27  97.432% * 99.7870% (0.53  10.0   5.21  19.54) =  99.998%  kept
          HA    ASP-  76 - HD3   PRO   68  15.18 +/- 2.97   1.151% *  0.1645% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ASP-  76 - HD3   PRO   93  12.27 +/- 2.08   0.827% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  18.95 +/- 3.73   0.590% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.52, residual support = 19.5:
      O   HA    LEU   67 - HD2   PRO   68   2.49 +/- 0.38  97.205% * 99.8155% (0.53  10.0   4.53  19.54) =  99.997%  kept
          HA    ASP-  76 - HD2   PRO   68  15.36 +/- 2.77   1.484% *  0.1646% (0.87   1.0   0.02   0.02) =   0.003%
          HA    ASP-  76 - HD3   PRO   58  16.25 +/- 4.18   0.653% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  16.05 +/- 1.92   0.658% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 60.9:
      O   HD21  ASN   69 - HB2   ASN   69   3.23 +/- 0.54  88.316% * 99.5864% (0.65  10.0   3.62  60.88) =  99.989%  kept
          HN    GLN   17 - HB2   ASN   69  12.14 +/- 4.56   4.781% *  0.1286% (0.84   1.0   0.02   0.02) =   0.007%
          HN    ALA   61 - HB2   ASN   69  14.42 +/- 3.21   5.774% *  0.0475% (0.31   1.0   0.02   0.02) =   0.003%
          HE3   TRP   87 - HB2   ASN   69  22.95 +/- 4.92   0.457% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  24.95 +/- 3.67   0.293% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  25.04 +/- 3.64   0.378% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.36, residual support = 60.9:
      O   HN    ASN   69 - HB2   ASN   69   3.37 +/- 0.58  98.172% * 99.9414% (0.97  10.0   5.36  60.88) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   69  20.56 +/- 2.49   0.615% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB2   ASN   69  18.31 +/- 5.05   1.214% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.58, residual support = 60.9:
      O   HD21  ASN   69 - HB3   ASN   69   2.74 +/- 0.65  96.549% * 99.7810% (0.99  10.0   3.58  60.88) =  99.997%  kept
          HN    GLN   17 - HB3   ASN   69  12.43 +/- 4.66   2.921% *  0.0987% (0.98   1.0   0.02   0.02) =   0.003%
          HN    TRP   87 - HB3   ASN   69  24.69 +/- 3.76   0.202% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  22.70 +/- 5.19   0.328% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 60.9:
      O   HN    ASN   69 - HB3   ASN   69   3.14 +/- 0.42  98.612% * 99.9414% (0.97  10.0   4.85  60.88) = 100.000%  kept
          HN    ASN   28 - HB3   ASN   69  20.64 +/- 2.54   0.488% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   ASN   69  18.33 +/- 5.23   0.901% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.2, support = 3.36, residual support = 60.6:
          HD21  ASN   69 - HA    ASN   69   3.74 +/- 0.48  75.724% * 90.6353% (0.20   3.38  60.88) =  99.473%  kept
          HN    ALA   61 - HA    ASN   69  13.83 +/- 2.73   9.931% *  2.1691% (0.80   0.02   0.02) =   0.312%  kept
          HN    GLN   17 - HA    ASN   69  10.72 +/- 5.17  12.164% *  0.9240% (0.34   0.02   0.02) =   0.163%  kept
          HE3   TRP   87 - HA    ASN   69  22.44 +/- 5.19   0.667% *  2.6849% (0.99   0.02   0.02) =   0.026%
          HN    ALA   91 - HA    ASN   69  24.50 +/- 3.40   0.412% *  1.9670% (0.73   0.02   0.02) =   0.012%
          HN    TRP   27 - HA    ASN   69  19.00 +/- 1.85   0.696% *  1.0167% (0.38   0.02   0.02) =   0.010%
          HN    TRP   87 - HA    ASN   69  24.25 +/- 3.89   0.406% *  0.6031% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.84 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  14.42 +/- 2.13 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.64 A violated in 20 structures by 10.78 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.416, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.33 +/- 0.59   8.226% * 37.0886% (0.42 10.00   0.02   0.02) =  53.822%  kept
        T QB    ALA   88 - HA    SER   48  15.53 +/- 2.21   2.490% * 17.4364% (0.20 10.00   0.02   0.02) =   7.658%  kept
          HG2   LYS+  38 - HA    VAL   70  11.69 +/- 2.68   8.974% *  4.6421% (0.53  1.00   0.02   0.02) =   7.349%  kept
          QG2   THR   77 - HA    SER   48   8.36 +/- 3.14  20.414% *  1.9923% (0.23  1.00   0.02   0.02) =   7.175%  kept
          QG2   THR   77 - HB2   SER   82  10.73 +/- 1.71   8.616% *  4.2379% (0.48  1.00   0.02   0.02) =   6.441%  kept
          HG2   LYS+  99 - HA    VAL   70  12.41 +/- 4.97   8.305% *  3.6274% (0.41  1.00   0.02   0.02) =   5.315%  kept
          QG2   THR   77 - HA    VAL   70  14.67 +/- 1.65   3.021% *  8.7452% (0.99  1.00   0.02   0.02) =   4.661%  kept
          QG2   THR   23 - HB2   SER   82  14.61 +/- 6.61   9.713% *  0.9519% (0.11  1.00   0.02   0.02) =   1.631%  kept
          QB    ALA   88 - HA    VAL   70  20.08 +/- 2.44   1.147% *  7.6536% (0.87  1.00   0.02   0.02) =   1.548%  kept
          HB2   LEU   31 - HA    VAL   70  14.14 +/- 2.14   3.480% *  1.3614% (0.15  1.00   0.02   0.02) =   0.836%  kept
          QG2   THR   23 - HA    VAL   70  16.77 +/- 1.73   2.161% *  1.9644% (0.22  1.00   0.02   0.02) =   0.749%  kept
          QG2   THR   23 - HA    SER   48  15.81 +/- 4.53   7.831% *  0.4475% (0.05  1.00   0.02   0.02) =   0.618%  kept
          HG2   LYS+  99 - HA    SER   48  25.58 +/- 4.40   2.775% *  0.8264% (0.09  1.00   0.02   0.02) =   0.405%  kept
          HG2   LYS+ 111 - HA    VAL   70  23.31 +/- 4.46   1.276% *  1.7461% (0.20  1.00   0.02   0.02) =   0.393%  kept
          HB2   LEU   31 - HB2   SER   82  20.35 +/- 8.15   3.304% *  0.6597% (0.07  1.00   0.02   0.02) =   0.385%  kept
          HG2   LYS+  99 - HB2   SER   82  25.34 +/- 4.52   0.776% *  1.7578% (0.20  1.00   0.02   0.02) =   0.241%  kept
          HB2   LEU   31 - HA    SER   48  22.76 +/- 4.44   3.518% *  0.3102% (0.04  1.00   0.02   0.02) =   0.192%  kept
          HG2   LYS+  38 - HB2   SER   82  28.50 +/- 5.36   0.431% *  2.2495% (0.25  1.00   0.02   0.02) =   0.171%  kept
          HG2   LYS+ 111 - HB2   SER   82  23.94 +/- 3.84   0.965% *  0.8462% (0.10  1.00   0.02   0.02) =   0.144%  kept
          HG2   LYS+  38 - HA    SER   48  28.06 +/- 4.27   0.725% *  1.0576% (0.12  1.00   0.02   0.02) =   0.135%  kept
          HG2   LYS+ 111 - HA    SER   48  18.40 +/- 2.75   1.852% *  0.3978% (0.05  1.00   0.02   0.02) =   0.130%  kept
    Distance limit 3.55 A violated in 16 structures by 2.63 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.67, residual support = 34.1:
      O   HN    LEU   71 - HA    VAL   70   2.22 +/- 0.04  95.296% * 99.7573% (0.87  10.0   5.67  34.07) =  99.999%  kept
          HN    THR   26 - HB2   SER   82  17.80 +/- 8.46   0.842% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.55 +/- 3.41   0.180% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  18.10 +/- 3.39   0.569% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  17.11 +/- 3.83   1.818% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.47 +/- 1.87   0.188% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.77 +/- 3.86   0.099% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  19.58 +/- 3.14   0.198% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.53 +/- 3.07   0.285% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  24.78 +/- 3.52   0.097% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  20.32 +/- 4.84   0.339% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  25.03 +/- 3.24   0.088% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.9, support = 3.36, residual support = 46.0:
        T HZ    PHE   72 - HB    VAL   70   4.70 +/- 0.98  22.435% * 92.8107% (1.00 10.00   3.30  46.25) =  85.893%  kept
          QD    PHE   72 - HB    VAL   70   3.01 +/- 0.77  57.748% *  5.6616% (0.31  1.00   3.94  46.25) =  13.487%  kept
        T HZ    PHE   72 - QG    GLN   17  10.11 +/- 3.10   9.955% *  1.5031% (0.19 10.00   0.17   0.02) =   0.617%  kept
          QD    PHE   72 - QG    GLN   17   8.11 +/- 2.66   7.724% *  0.0053% (0.06  1.00   0.02   0.02) =   0.002%
          QE    PHE   45 - HB    VAL   70  12.44 +/- 1.92   1.334% *  0.0163% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  15.18 +/- 3.42   0.804% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.723, support = 4.41, residual support = 46.0:
          QE    PHE   72 - HB    VAL   70   2.80 +/- 0.94  72.655% * 96.9994% (0.73   4.43  46.25) =  99.477%  kept
          QE    PHE   72 - QG    GLN   17   8.52 +/- 2.76  16.854% *  2.0554% (0.13   0.51   0.02) =   0.489%  kept
          QD    PHE   95 - HB    VAL   70  10.14 +/- 2.18   7.792% *  0.2264% (0.38   0.02   0.02) =   0.025%
          HN    ALA   47 - HB    VAL   70  16.19 +/- 3.03   0.890% *  0.5707% (0.95   0.02   0.02) =   0.007%
          HN    ALA   47 - QG    GLN   17  18.18 +/- 3.74   0.873% *  0.1060% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  14.56 +/- 2.92   0.936% *  0.0421% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.74, residual support = 81.6:
      O   HN    VAL   70 - HB    VAL   70   2.74 +/- 0.38  92.763% * 99.9336% (0.76  10.0   4.74  81.62) =  99.999%  kept
          HN    VAL   70 - QG    GLN   17   9.33 +/- 3.50   6.205% *  0.0186% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB    VAL   70  17.51 +/- 1.34   0.410% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.25 +/- 3.95   0.622% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 5.11, residual support = 81.6:
          HN    VAL   70 - QG1   VAL   70   2.34 +/- 0.52  93.240% * 98.3712% (0.28   5.11  81.62) =  99.959%  kept
          HN    THR   94 - QG1   VAL   70  12.44 +/- 2.72   6.280% *  0.5198% (0.38   0.02   0.02) =   0.036%
          HN    GLU-  79 - QG1   VAL   70  15.75 +/- 1.20   0.480% *  1.1090% (0.80   0.02   0.02) =   0.006%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.371, support = 1.44, residual support = 0.568:
          HN    VAL   42 - QG2   VAL   70   3.94 +/- 1.26  53.604% * 30.1448% (0.35   1.25   0.57) =  49.051%  kept
          HN    LEU   73 - QG2   VAL   70   5.82 +/- 0.68  25.398% * 48.0940% (0.35   2.00   0.74) =  37.078%  kept
          HN    ILE   19 - QG2   VAL   70   7.68 +/- 2.30  20.999% * 21.7611% (0.52   0.61   0.11) =  13.871%  kept
    Distance limit 3.88 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.486, support = 5.87, residual support = 34.2:
        T HG    LEU   40 - QG2   VAL   70   3.05 +/- 0.80  34.965% * 47.2942% (0.54 10.00   6.44  36.27) =  81.422%  kept
        T HB3   LEU   40 - QG2   VAL   70   4.66 +/- 0.87  13.350% * 19.4865% (0.22 10.00   3.99  36.27) =  12.809%  kept
        T HG    LEU   73 - QG2   VAL   70   7.80 +/- 0.86   3.114% * 30.6629% (0.35 10.00   2.40   0.74) =   4.702%  kept
          HG    LEU   67 - QG2   VAL   70   5.05 +/- 1.51  14.193% *  1.4079% (0.53  1.00   0.60   0.02) =   0.984%  kept
          QG    LYS+  66 - QG2   VAL   70   7.91 +/- 1.25   2.531% *  0.2805% (0.24  1.00   0.26   0.02) =   0.035%
        T HB3   LEU  115 - QG2   VAL   70  13.13 +/- 1.43   0.749% *  0.4729% (0.54 10.00   0.02   0.02) =   0.017%
        T HG    LEU  115 - QG2   VAL   70  13.34 +/- 2.07   0.849% *  0.3066% (0.35 10.00   0.02   0.02) =   0.013%
          HB3   LEU   67 - QG2   VAL   70   4.70 +/- 1.45  17.066% *  0.0132% (0.15  1.00   0.02   0.02) =   0.011%
          QB    ALA   61 - QG2   VAL   70   7.25 +/- 2.17  11.962% *  0.0083% (0.09  1.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QG2   VAL   70  13.04 +/- 2.83   0.796% *  0.0307% (0.35  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   VAL   70  14.21 +/- 3.05   0.426% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.421, support = 3.81, residual support = 46.3:
        T QD    PHE   72 - QG2   VAL   70   2.09 +/- 0.45  85.303% * 55.2900% (0.43 10.00   3.71  46.25) =  89.638%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.51 +/- 0.32  12.203% * 44.6681% (0.35 10.00   4.63  46.25) =  10.360%  kept
          QE    PHE   45 - QG2   VAL   70   9.82 +/- 1.56   2.494% *  0.0419% (0.33  1.00   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.35, residual support = 46.3:
          QE    PHE   72 - QG2   VAL   70   2.94 +/- 0.45  95.138% * 99.6767% (0.54   5.35  46.25) =  99.992%  kept
          HD22  ASN   28 - QG2   VAL   70  12.24 +/- 1.84   3.219% *  0.1272% (0.18   0.02   0.02) =   0.004%
          HN    ALA   47 - QG2   VAL   70  13.73 +/- 2.29   1.643% *  0.1962% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.38, residual support = 34.1:
          HN    LEU   71 - QG2   VAL   70   2.90 +/- 0.37  93.927% * 99.3788% (0.51   6.38  34.07) =  99.993%  kept
          HN    GLU- 114 - QG2   VAL   70  16.19 +/- 2.32   0.791% *  0.3117% (0.51   0.02   0.02) =   0.003%
          HN    GLN  116 - QG2   VAL   70  14.59 +/- 1.90   1.001% *  0.1733% (0.28   0.02   0.02) =   0.002%
          HN    THR  118 - QG2   VAL   70  13.63 +/- 2.55   1.568% *  0.0916% (0.15   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   VAL   70  10.07 +/- 1.85   2.713% *  0.0446% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 2.9, residual support = 46.3:
        T HZ    PHE   72 - QG1   VAL   70   4.93 +/- 1.09  36.478% * 82.9305% (0.65 10.00   2.77  46.25) =  74.972%  kept
          QD    PHE   72 - QG1   VAL   70   3.92 +/- 0.51  59.415% * 16.9918% (0.80  1.00   3.31  46.25) =  25.020%  kept
          QE    PHE   45 - QG1   VAL   70  11.21 +/- 1.64   4.107% *  0.0778% (0.61  1.00   0.02   0.02) =   0.008%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 0.747, residual support = 2.93:
          HA    VAL   41 - HB2   LEU   71   5.53 +/- 2.01  82.621% * 95.8609% (0.92   0.75   2.94) =  99.597%  kept
          HA    HIS  122 - HB2   LEU   71  19.12 +/- 6.64   9.372% *  2.6725% (0.97   0.02   0.02) =   0.315%  kept
          HA    PHE   45 - HB2   LEU   71  15.52 +/- 1.62   5.895% *  1.0393% (0.38   0.02   0.02) =   0.077%
          HA    MET   92 - HB2   LEU   71  21.98 +/- 2.44   2.112% *  0.4273% (0.15   0.02   0.02) =   0.011%
    Distance limit 3.69 A violated in 13 structures by 2.12 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.36, residual support = 139.4:
      O   HN    LEU   71 - HB2   LEU   71   2.76 +/- 0.41  98.221% * 99.8011% (0.95  10.0   6.36 139.38) =  99.999%  kept
          HN    GLU- 114 - HB2   LEU   71  23.69 +/- 3.59   0.208% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.63 +/- 3.31   0.272% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  15.72 +/- 2.55   0.887% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  20.54 +/- 3.96   0.411% *  0.0293% (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 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.28, residual support = 139.4:
      O   HN    LEU   71 - HB3   LEU   71   3.37 +/- 0.47  96.495% * 99.8011% (0.95  10.0   6.28 139.38) =  99.999%  kept
          HN    GLU- 114 - HB3   LEU   71  24.16 +/- 3.28   0.365% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  22.07 +/- 3.05   0.547% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   71  15.89 +/- 2.33   1.864% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  20.98 +/- 3.63   0.729% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 139.4:
      O   HB2   LEU   71 - HG    LEU   71   2.55 +/- 0.18  69.271% * 99.3720% (0.97  10.0   4.93 139.38) =  99.989%  kept
          HB    VAL   41 - HG    LEU   71   7.92 +/- 1.72   3.996% *  0.0501% (0.49   1.0   0.02   2.94) =   0.003%
          HB2   LEU   71 - HG13  ILE   19   8.88 +/- 4.69   8.478% *  0.0142% (0.14   1.0   0.02   0.47) =   0.002%
          QB    LYS+  65 - HG    LEU   71  11.40 +/- 1.67   1.123% *  0.1009% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HG    LEU   71  10.02 +/- 4.58   2.193% *  0.0501% (0.49   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HG    LEU   71  11.87 +/- 1.12   0.811% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.30 +/- 1.16   6.615% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  16.54 +/- 3.15   0.323% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  15.38 +/- 3.08   0.524% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.50 +/- 2.43   1.119% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  10.60 +/- 4.07   2.095% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.92 +/- 2.78   0.135% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.90 +/- 1.84   0.786% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  21.92 +/- 4.86   0.399% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  19.26 +/- 3.28   0.206% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  22.57 +/- 5.47   1.254% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.97 +/- 2.65   0.146% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.44 +/- 3.85   0.110% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.88 +/- 3.56   0.295% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.83 +/- 3.37   0.121% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.76, residual support = 139.4:
          HN    LEU   71 - QD2   LEU   71   3.17 +/- 0.99  94.656% * 99.7038% (0.87   6.76 139.38) =  99.995%  kept
          HN    THR   26 - QD2   LEU   71  13.55 +/- 2.54   3.274% *  0.0848% (0.25   0.02   0.02) =   0.003%
          HN    GLU- 114 - QD2   LEU   71  20.32 +/- 2.43   0.853% *  0.1655% (0.49   0.02   0.02) =   0.001%
          HN    GLN  116 - QD2   LEU   71  18.56 +/- 2.13   1.218% *  0.0460% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.24, residual support = 19.1:
          HN    PHE   72 - QD2   LEU   71   3.80 +/- 0.36  97.189% * 99.5627% (0.73   5.24  19.10) =  99.987%  kept
          HN    LEU  104 - QD2   LEU   71  13.42 +/- 2.27   2.811% *  0.4373% (0.84   0.02   0.02) =   0.013%
    Distance limit 3.36 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.611, support = 5.4, residual support = 42.4:
      O   HN    LEU   73 - HA    PHE   72   2.60 +/- 0.12  55.501% * 93.8474% (0.61  10.0   5.54  43.62) =  96.915%  kept
          HN    VAL   42 - HA    PHE   72   3.72 +/- 0.93  28.848% *  5.3912% (0.61   1.0   1.15   4.53) =   2.894%  kept
          HN    ILE   19 - HA    PHE   72   5.78 +/- 4.07  15.316% *  0.6675% (0.13   1.0   0.65   0.02) =   0.190%  kept
          HN    LYS+ 106 - HA    PHE   72  15.55 +/- 2.54   0.335% *  0.0938% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.07, residual support = 90.3:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  98.594% * 99.9786% (0.71  10.0   5.07  90.32) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.93 +/- 2.16   1.406% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.398, support = 2.29, residual support = 35.4:
          HG    LEU   73 - HA    PHE   72   4.71 +/- 0.85  31.802% * 51.5687% (0.37   2.66  43.62) =  78.542%  kept
          HB3   LYS+  74 - HA    PHE   72   8.06 +/- 1.19   9.119% * 25.5791% (0.31   1.56   1.35) =  11.171%  kept
          HG12  ILE   19 - HA    PHE   72   7.07 +/- 3.86  27.126% *  4.5922% (0.74   0.12   0.02) =   5.966%  kept
          HB3   LEU   67 - HA    PHE   72   8.36 +/- 1.33   5.979% * 12.5597% (0.66   0.36  27.86) =   3.596%  kept
          QB    ALA   61 - HA    PHE   72   9.16 +/- 1.54   6.472% *  0.7682% (0.74   0.02   0.02) =   0.238%  kept
          QG    LYS+  66 - HA    PHE   72  11.57 +/- 1.27   1.942% *  2.0530% (0.52   0.08   0.42) =   0.191%  kept
          HD3   LYS+ 121 - HA    PHE   72  17.51 +/- 6.59   9.198% *  0.3569% (0.34   0.02   0.02) =   0.157%  kept
          HG    LEU   80 - HA    PHE   72  16.08 +/- 4.26   1.086% *  0.7942% (0.76   0.02   0.02) =   0.041%
          QB    LEU   98 - HA    PHE   72   8.97 +/- 1.76   4.925% *  0.1575% (0.15   0.02   0.02) =   0.037%
          QB    ALA  110 - HA    PHE   72  17.30 +/- 2.85   0.778% *  0.7890% (0.76   0.02   0.02) =   0.029%
          HB2   LEU   80 - HA    PHE   72  16.13 +/- 3.44   0.910% *  0.4828% (0.46   0.02   0.02) =   0.021%
          HG2   LYS+ 102 - HA    PHE   72  16.91 +/- 2.73   0.663% *  0.2988% (0.29   0.02   0.02) =   0.009%
    Distance limit 3.54 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.57, residual support = 43.5:
          QD2   LEU   73 - HB2   PHE   72   3.16 +/- 0.44  51.265% * 98.6749% (0.82   5.58  43.62) =  99.768%  kept
          QG1   VAL   43 - HB2   PHE   72   5.87 +/- 1.65  19.370% *  0.3687% (0.17   0.10   0.02) =   0.141%  kept
          QG1   VAL   41 - HB2   PHE   72   5.32 +/- 1.83  22.883% *  0.1231% (0.28   0.02   0.02) =   0.056%
          HG    LEU   31 - HB2   PHE   72   8.34 +/- 1.93   3.646% *  0.3235% (0.75   0.02   0.02) =   0.023%
          HG3   LYS+ 121 - HB2   PHE   72  17.21 +/- 5.36   1.957% *  0.1617% (0.37   0.02   0.02) =   0.006%
          QD1   ILE   56 - HB2   PHE   72  13.77 +/- 1.67   0.879% *  0.3481% (0.81   0.02   0.02) =   0.006%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.24, residual support = 46.5:
        T QB    ALA   64 - HB2   PHE   72   4.11 +/- 0.82  96.241% * 99.9825% (0.84 10.00   3.24  46.55) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  13.85 +/- 1.78   3.759% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 1 structures by 0.60 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.717, support = 5.98, residual support = 42.6:
          QD2   LEU   73 - HB3   PHE   72   4.04 +/- 0.77  32.549% * 94.9322% (0.72   6.12  43.62) =  97.630%  kept
          QG2   VAL   18 - HB3   PHE   72   6.95 +/- 2.83  16.425% *  2.9426% (0.33   0.42   0.76) =   1.527%  kept
          QG1   VAL   43 - HB3   PHE   72   6.57 +/- 1.31  13.641% *  1.1631% (0.53   0.10   0.02) =   0.501%  kept
          QG1   VAL   41 - HB3   PHE   72   5.07 +/- 1.99  30.281% *  0.2973% (0.69   0.02   0.02) =   0.284%  kept
          HG    LEU   31 - HB3   PHE   72   9.07 +/- 1.77   3.893% *  0.3512% (0.82   0.02   0.02) =   0.043%
          QG2   THR   46 - HB3   PHE   72  10.70 +/- 0.99   2.184% *  0.1032% (0.24   0.02   0.02) =   0.007%
          QD1   ILE   56 - HB3   PHE   72  13.84 +/- 2.01   1.027% *  0.2102% (0.49   0.02   0.02) =   0.007%
    Distance limit 3.61 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.63, residual support = 46.5:
        T QB    ALA   64 - HB3   PHE   72   4.07 +/- 0.69  96.440% * 99.9693% (0.63 10.00   3.63  46.55) =  99.999%  kept
          QD1   LEU  115 - HB3   PHE   72  13.18 +/- 1.83   3.560% *  0.0307% (0.19  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.54, support = 0.556, residual support = 9.75:
        T HA    VAL   18 - HB2   PHE   72   6.47 +/- 3.78  45.284% * 67.9269% (0.47 10.00   0.43   0.76) =  80.020%  kept
          HA    VAL   70 - HB2   PHE   72   6.79 +/- 0.68  25.411% * 29.8830% (0.82  1.00   1.09  46.25) =  19.754%  kept
          HB2   SER   37 - HB2   PHE   72  10.75 +/- 1.87   9.705% *  0.3408% (0.51  1.00   0.02   0.02) =   0.086%
          HA    LYS+  33 - HB2   PHE   72  12.85 +/- 1.37   3.776% *  0.4294% (0.64  1.00   0.02   0.02) =   0.042%
          HA    GLU-  29 - HB2   PHE   72  13.17 +/- 1.35   3.480% *  0.3408% (0.51  1.00   0.02   0.02) =   0.031%
          HA1   GLY   16 - HB2   PHE   72  10.99 +/- 3.81   7.357% *  0.1562% (0.23  1.00   0.02   0.02) =   0.030%
          HA    GLN  116 - HB2   PHE   72  17.14 +/- 1.64   1.521% *  0.5508% (0.82  1.00   0.02   0.02) =   0.022%
          HB2   SER   82 - HB2   PHE   72  19.36 +/- 3.72   1.359% *  0.2735% (0.41  1.00   0.02   0.02) =   0.010%
          HA    SER   48 - HB2   PHE   72  16.27 +/- 2.29   2.106% *  0.0984% (0.15  1.00   0.02   0.02) =   0.005%
    Distance limit 3.79 A violated in 4 structures by 1.28 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.47, support = 1.01, residual support = 38.4:
          HA    VAL   70 - HB3   PHE   72   5.49 +/- 0.47  37.068% * 70.0320% (0.53  1.00   1.09  46.25) =  82.790%  kept
          HA    VAL   18 - HB3   PHE   72   6.67 +/- 3.73  33.351% * 13.9770% (0.15  1.00   0.75   0.76) =  14.867%  kept
          HB2   SER   37 - HB3   PHE   72  10.01 +/- 1.69  10.626% *  2.0861% (0.85  1.00   0.02   0.02) =   0.707%  kept
        T HA    LYS+  33 - HB3   PHE   72  12.80 +/- 1.52   3.333% *  6.5688% (0.27 10.00   0.02   0.02) =   0.698%  kept
          HA1   GLY   16 - HB3   PHE   72  10.27 +/- 4.18  10.046% *  1.5454% (0.63  1.00   0.02   0.02) =   0.495%  kept
        T HA    GLU-  29 - HB3   PHE   72  13.79 +/- 1.58   2.633% *  4.2118% (0.17 10.00   0.02   0.02) =   0.354%  kept
          HA    GLN  116 - HB3   PHE   72  17.13 +/- 1.90   1.949% *  1.2908% (0.53  1.00   0.02   0.02) =   0.080%
          HB2   SER   82 - HB3   PHE   72  20.60 +/- 3.63   0.994% *  0.2880% (0.12  1.00   0.02   0.02) =   0.009%
    Distance limit 3.92 A violated in 2 structures by 0.90 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.84, residual support = 90.3:
      O T QD    PHE   72 - HB3   PHE   72   2.45 +/- 0.14  91.500% * 94.6218% (0.87  10.0 10.00   4.84  90.32) =  99.626%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   6.905% *  4.5027% (0.27   1.0  1.00   3.08  90.32) =   0.358%  kept
        T QE    PHE   45 - HB3   PHE   72  10.40 +/- 1.63   1.595% *  0.8754% (0.80   1.0 10.00   0.02   0.02) =   0.016%
    Distance limit 3.50 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 = 4.57, residual support = 90.3:
      O T QD    PHE   72 - HB2   PHE   72   2.48 +/- 0.19  90.548% * 95.5796% (0.83  10.0 10.00   4.58  90.32) =  99.638%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   7.213% *  4.3320% (0.26   1.0  1.00   2.93  90.32) =   0.360%  kept
          QE    PHE   45 - HB2   PHE   72   9.54 +/- 1.76   2.239% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.96, residual support = 90.3:
      O   HN    PHE   72 - HB2   PHE   72   3.60 +/- 0.35  96.941% * 99.9402% (0.79  10.0   4.96  90.32) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  12.36 +/- 1.72   3.059% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.909, support = 0.726, residual support = 5.59:
          HG3   GLN   30 - HA    LEU   73   7.39 +/- 3.42  25.263% * 50.4726% (0.99   0.73   5.70) =  59.543%  kept
          HB2   GLN   30 - HA    LEU   73   7.67 +/- 2.64  19.811% * 41.6731% (0.80   0.75   5.70) =  38.553%  kept
          HB2   GLN   17 - HA    LEU   73   9.93 +/- 4.30  12.336% *  0.6755% (0.49   0.02   0.02) =   0.389%  kept
          HB    ILE  119 - HA    LEU   73  18.46 +/- 3.21   5.591% *  1.1113% (0.80   0.02   0.02) =   0.290%  kept
          QB    GLU-  15 - HA    LEU   73  11.73 +/- 4.10   7.956% *  0.6755% (0.49   0.02   0.02) =   0.251%  kept
          HB3   PRO   68 - HA    LEU   73  14.03 +/- 2.14   4.421% *  1.2038% (0.87   0.02   0.02) =   0.249%  kept
          HB3   GLU- 100 - HA    LEU   73  16.87 +/- 2.13   3.556% *  1.2038% (0.87   0.02   0.02) =   0.200%  kept
          HB    VAL  108 - HA    LEU   73  17.56 +/- 2.45   4.959% *  0.7857% (0.57   0.02   0.02) =   0.182%  kept
          HB2   PRO   93 - HA    LEU   73  14.98 +/- 2.49   8.161% *  0.3090% (0.22   0.02   0.02) =   0.118%  kept
          HB2   LYS+ 111 - HA    LEU   73  21.70 +/- 3.80   2.489% *  0.7857% (0.57   0.02   0.02) =   0.091%
          HB2   ARG+  54 - HA    LEU   73  19.98 +/- 2.55   2.156% *  0.6755% (0.49   0.02   0.02) =   0.068%
          HB3   GLU-  25 - HA    LEU   73  14.54 +/- 2.63   3.301% *  0.4283% (0.31   0.02   0.02) =   0.066%
    Distance limit 3.80 A violated in 11 structures by 2.06 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.64, residual support = 41.4:
      O   HN    LYS+  74 - HA    LEU   73   2.53 +/- 0.21  97.348% * 99.6525% (0.69  10.0   5.64  41.39) =  99.998%  kept
          HN    LYS+ 112 - HA    LEU   73  20.39 +/- 4.20   0.451% *  0.1448% (1.00   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LEU   73  10.90 +/- 1.26   1.539% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  21.67 +/- 5.23   0.346% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  18.14 +/- 2.05   0.317% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.784, support = 6.29, residual support = 166.1:
      O   HN    LEU   73 - HA    LEU   73   2.86 +/- 0.07  45.578% * 96.2070% (0.80  10.0   6.41 170.83) =  97.176%  kept
          HN    ILE   19 - HA    LEU   73   4.72 +/- 5.08  47.090% *  2.5331% (0.18   1.0   2.41   4.96) =   2.643%  kept
          HN    VAL   42 - HA    LEU   73   6.20 +/- 0.98   6.948% *  1.1637% (0.80   1.0   0.24   1.52) =   0.179%  kept
          HN    LYS+ 106 - HA    LEU   73  16.57 +/- 2.82   0.384% *  0.0962% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 6.16, residual support = 169.9:
      O   HN    LEU   73 - HB2   LEU   73   3.31 +/- 0.31  83.674% * 96.6628% (0.38  10.0   6.19 170.83) =  99.430%  kept
          HN    VAL   42 - HB2   LEU   73   6.97 +/- 1.28  14.934% *  3.0802% (0.38   1.0   0.64   1.52) =   0.565%  kept
          HN    LYS+ 106 - HB2   LEU   73  16.22 +/- 3.43   1.393% *  0.2570% (1.00   1.0   0.02   0.02) =   0.004%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.813, support = 1.85, residual support = 7.04:
          HA    VAL   43 - HB2   LEU   73   6.01 +/- 1.97  61.548% * 87.7746% (0.80  1.00   1.97   7.51) =  93.776%  kept
        T HA    HIS   22 - HB2   LEU   73   8.84 +/- 1.99  31.526% * 11.1341% (1.00 10.00   0.02   0.02) =   6.093%  kept
          HA    ASN   69 - HB2   LEU   73  14.01 +/- 0.86   6.926% *  1.0914% (0.98  1.00   0.02   0.02) =   0.131%  kept
    Distance limit 4.02 A violated in 11 structures by 1.75 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.43, residual support = 41.4:
          HN    LYS+  74 - HB3   LEU   73   3.17 +/- 1.02  95.983% * 97.4948% (0.25   5.44  41.39) =  99.966%  kept
          HN    LYS+ 112 - HB3   LEU   73  20.13 +/- 4.33   1.426% *  1.0994% (0.76   0.02   0.02) =   0.017%
          HN    ASP-  78 - HB3   LEU   73  12.78 +/- 1.01   2.117% *  0.5914% (0.41   0.02   0.02) =   0.013%
          HN    MET   11 - HB3   LEU   73  22.39 +/- 5.22   0.474% *  0.8144% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.738, support = 5.45, residual support = 160.3:
          HN    LEU   73 - HG    LEU   73   2.76 +/- 0.74  35.578% * 66.5522% (0.80   5.65 170.83) =  87.747%  kept
          HN    ILE   19 - HG12  ILE   19   3.23 +/- 1.03  30.714% *  5.2470% (0.06   6.24 171.19) =   5.972%  kept
          HN    VAL   42 - HG    LEU   73   6.11 +/- 1.68   5.606% * 16.1442% (0.80   1.37   1.52) =   3.354%  kept
          HN    VAL   42 - HG    LEU   40   4.61 +/- 0.82   8.577% *  5.1926% (0.15   2.37   1.75) =   1.650%  kept
          HN    ILE   19 - HG    LEU   73   6.46 +/- 3.44   5.450% *  6.1871% (0.18   2.40   4.96) =   1.250%  kept
          HN    LEU   73 - HG12  ILE   19   7.34 +/- 3.20   3.977% *  0.0769% (0.26   0.02   4.96) =   0.011%
          HN    LEU   73 - HG    LEU   40   7.67 +/- 1.83   3.569% *  0.0439% (0.15   0.02   0.02) =   0.006%
          HN    VAL   42 - HG12  ILE   19  10.22 +/- 3.76   1.244% *  0.0769% (0.26   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HG    LEU   73  15.39 +/- 3.12   0.322% *  0.2355% (0.80   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   40  10.78 +/- 3.00   2.317% *  0.0096% (0.03   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  13.11 +/- 3.17   0.394% *  0.0439% (0.15   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  13.94 +/- 4.57   0.530% *  0.0287% (0.10   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  15.75 +/- 3.65   0.262% *  0.0287% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.95 +/- 2.99   0.089% *  0.0769% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.24 +/- 4.34   0.165% *  0.0287% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  12.55 +/- 3.72   0.433% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  16.65 +/- 7.47   0.368% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.15 +/- 2.19   0.162% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  17.00 +/- 2.38   0.140% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  19.34 +/- 3.31   0.103% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.121, support = 1.33, residual support = 1.53:
          HN    LEU   71 - HG    LEU   40   4.93 +/- 1.45  48.134% * 23.5009% (0.05   1.73   1.92) =  64.374%  kept
          HN    LEU   71 - HG    LEU   73   9.64 +/- 0.82   6.040% * 58.8491% (0.28   0.81   1.17) =  20.227%  kept
          HN    LEU   71 - HG12  ILE   19   9.82 +/- 4.11  21.621% * 10.1709% (0.09   0.43   0.47) =  12.514%  kept
          HN    THR   26 - HG    LEU   73   9.94 +/- 2.59   9.212% *  4.3682% (0.84   0.02   0.02) =   2.290%  kept
          HN    THR   26 - HG12  ILE   19  11.33 +/- 1.23   3.893% *  1.4266% (0.27   0.02   0.02) =   0.316%  kept
          HN    THR   26 - HG    LEU   80  14.73 +/- 8.11   7.205% *  0.5315% (0.10   0.02   0.02) =   0.218%  kept
          HN    THR   26 - HG    LEU   40  18.04 +/- 1.92   0.969% *  0.8144% (0.16   0.02   0.02) =   0.045%
          HN    LEU   71 - HG    LEU   80  19.86 +/- 3.73   0.802% *  0.1769% (0.03   0.02   0.02) =   0.008%
          HN    THR   26 - HG    LEU  115  24.31 +/- 4.18   0.562% *  0.1211% (0.02   0.02   0.02) =   0.004%
          HN    LEU   71 - HG    LEU  115  18.82 +/- 3.13   1.561% *  0.0403% (0.01   0.02   0.02) =   0.004%
    Distance limit 4.02 A violated in 0 structures by 0.46 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 = 7.93, residual support = 169.9:
          HN    LEU   73 - QD2   LEU   73   1.86 +/- 0.24  82.884% * 96.0591% (0.38   7.97 170.83) =  99.476%  kept
          HN    VAL   42 - QD2   LEU   73   4.50 +/- 0.97  14.156% *  2.9167% (0.38   0.24   1.52) =   0.516%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  12.89 +/- 8.00   1.544% *  0.2186% (0.34   0.02   0.02) =   0.004%
          HN    LYS+ 106 - QD2   LEU   73  12.81 +/- 1.99   0.366% *  0.6411% (1.00   0.02   0.02) =   0.003%
          HN    LEU   73 - HG3   LYS+ 121  18.37 +/- 5.80   0.604% *  0.0822% (0.13   0.02   0.02) =   0.001%
          HN    VAL   42 - HG3   LYS+ 121  16.73 +/- 6.74   0.447% *  0.0822% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.9, residual support = 41.4:
          HN    LYS+  74 - QD2   LEU   73   3.76 +/- 0.39  85.733% * 96.8148% (0.25   5.90  41.39) =  99.924%  kept
          HN    LYS+ 112 - QD2   LEU   73  16.74 +/- 3.35   1.972% *  1.0057% (0.76   0.02   0.02) =   0.024%
          HN    ASP-  78 - QD2   LEU   73  11.38 +/- 1.41   3.305% *  0.5410% (0.41   0.02   0.02) =   0.022%
          HN    MET   11 - QD2   LEU   73  18.57 +/- 4.00   1.552% *  0.7451% (0.57   0.02   0.02) =   0.014%
          HN    ASP-  78 - HG3   LYS+ 121  22.74 +/- 4.54   4.761% *  0.1845% (0.14   0.02   0.02) =   0.011%
          HN    LYS+ 112 - HG3   LYS+ 121  17.43 +/- 1.23   0.961% *  0.3430% (0.26   0.02   0.02) =   0.004%
          HN    LYS+  74 - HG3   LYS+ 121  20.17 +/- 4.89   1.531% *  0.1119% (0.09   0.02   0.02) =   0.002%
          HN    MET   11 - HG3   LYS+ 121  34.51 +/- 5.49   0.184% *  0.2541% (0.19   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.79, residual support = 186.5:
      O   HN    LYS+  74 - HB2   LYS+  74   2.97 +/- 0.48  93.790% * 98.7740% (0.20  10.0   5.79 186.53) =  99.965%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.14 +/- 1.11   3.562% *  0.6990% (0.33   1.0   0.09   0.02) =   0.027%
          HN    LYS+ 112 - HB2   LYS+  74  19.48 +/- 4.87   2.205% *  0.3027% (0.61   1.0   0.02   0.02) =   0.007%
          HN    MET   11 - HB2   LYS+  74  22.83 +/- 5.46   0.443% *  0.2243% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 0.413, support = 4.47, residual support = 31.9:
          HN    VAL   75 - HB3   LYS+  74   4.28 +/- 0.30  87.688% * 95.6383% (0.41   4.49  32.05) =  99.645%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.01 +/- 0.93   7.390% *  3.8602% (0.87   0.09   0.02) =   0.339%  kept
          HN    LYS+ 112 - HB3   LYS+  74  19.89 +/- 4.94   3.612% *  0.3200% (0.31   0.02   0.02) =   0.014%
          HN    MET   11 - HB3   LYS+  74  22.99 +/- 5.67   1.310% *  0.1816% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 0 structures by 0.54 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 5.89, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.43 +/- 0.72  88.811% * 98.2428% (0.84   5.89  32.05) =  99.898%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.16 +/- 1.60   5.178% *  1.6798% (0.98   0.09   0.02) =   0.100%
          HN    ASP-  78 - HG3   LYS+ 111  19.52 +/- 4.23   3.933% *  0.0418% (0.10   0.02   0.02) =   0.002%
          HN    VAL   75 - HG3   LYS+ 111  19.03 +/- 2.94   2.078% *  0.0356% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 0.716, residual support = 0.715:
          QG1   VAL   75 - HA    THR   77   3.94 +/- 0.33  95.751% * 97.8834% (0.84   0.72   0.72) =  99.904%  kept
          QD1   LEU  115 - HA    THR   77  12.83 +/- 2.76   4.249% *  2.1166% (0.65   0.02   0.02) =   0.096%
    Distance limit 3.57 A violated in 0 structures by 0.41 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   2.81 +/- 0.58  97.870% * 99.9053% (0.95  10.0   3.95  39.54) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.37 +/- 0.94   2.130% *  0.0947% (0.90   1.0   0.02   0.30) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.35, residual support = 39.5:
      O   HN    ASP-  78 - HB2   ASP-  78   2.68 +/- 0.51  97.865% * 99.9053% (0.95  10.0   5.35  39.54) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78  10.08 +/- 0.54   2.135% *  0.0947% (0.90   1.0   0.02   0.30) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 56.7:
      O T HB3   GLU-  79 - HA    GLU-  79   2.70 +/- 0.23  96.038% * 99.1581% (1.00  10.0 10.00   4.40  56.73) =  99.981%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.37 +/- 3.28   2.888% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.018%
          HB3   GLU-  29 - HA    GLU-  79  20.46 +/- 4.40   0.343% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  19.61 +/- 4.69   0.424% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.27 +/- 2.13   0.170% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  25.90 +/- 2.47   0.137% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 56.7:
      O   QG    GLU-  79 - HB3   GLU-  79   2.37 +/- 0.14  88.989% * 99.5936% (0.98  10.0   3.66  56.73) =  99.996%  kept
          QG    GLU-  79 - HB2   GLN   90  12.24 +/- 3.72   8.505% *  0.0370% (0.36   1.0   0.02   0.02) =   0.004%
          HB3   PHE   97 - HB3   GLU-  79  19.10 +/- 3.54   0.420% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  17.62 +/- 3.57   0.638% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  21.20 +/- 3.87   0.173% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  22.66 +/- 4.51   0.156% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  24.66 +/- 3.12   0.098% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  19.98 +/- 3.85   0.309% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.01 +/- 1.47   0.381% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  19.15 +/- 1.74   0.185% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  26.38 +/- 3.91   0.081% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  27.38 +/- 2.47   0.064% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.884, support = 3.32, residual support = 11.5:
          HB2   ASP-  76 - HB3   GLU-  79   3.76 +/- 1.44  59.966% * 34.5579% (1.00  1.00   1.97   2.61) =  51.263%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.37 +/- 0.68  30.910% * 63.6862% (0.76  1.00   4.74  20.82) =  48.696%  kept
        T HB2   ASN   28 - HB3   GLU-  79  17.10 +/- 5.50   1.213% *  0.6158% (0.18 10.00   0.02   0.02) =   0.018%
          HB2   ASP-  76 - HB2   GLN   90  13.47 +/- 2.48   2.359% *  0.1304% (0.37  1.00   0.02   0.02) =   0.008%
          HB2   ASP-  78 - HB2   GLN   90  13.07 +/- 2.96   2.270% *  0.0998% (0.28  1.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - HB3   GLU-  79  22.66 +/- 2.90   0.350% *  0.3393% (0.97  1.00   0.02   0.02) =   0.003%
        T HB2   ASN   28 - HB2   GLN   90  23.88 +/- 5.15   0.454% *  0.2288% (0.07 10.00   0.02   0.02) =   0.003%
          QE    LYS+  66 - HB3   GLU-  79  17.41 +/- 3.20   0.877% *  0.0696% (0.20  1.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   GLU-  79  19.74 +/- 4.14   0.598% *  0.0877% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  27.16 +/- 3.70   0.214% *  0.1261% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  21.77 +/- 4.58   0.554% *  0.0259% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  26.15 +/- 2.93   0.235% *  0.0326% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.4, residual support = 56.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.70 +/- 0.23  75.531% * 97.6547% (0.80  10.0 10.00   4.40  56.73) =  99.923%  kept
          HB    THR   77 - HB3   GLU-  79   7.96 +/- 0.73   3.467% *  1.2554% (0.31   1.0  1.00   0.67   0.02) =   0.059%
        T HA    GLU-  79 - HB2   GLN   90  13.37 +/- 3.28   2.271% *  0.3628% (0.30   1.0 10.00   0.02   0.02) =   0.011%
          HA    SER   85 - HB2   GLN   90   7.52 +/- 2.13   7.565% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLN   90  10.14 +/- 4.18   4.912% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  18.40 +/- 4.96   0.518% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  19.37 +/- 4.52   0.486% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  12.48 +/- 1.61   1.116% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.19 +/- 1.69   1.003% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  18.02 +/- 4.74   0.528% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.88 +/- 4.27   0.401% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  19.64 +/- 3.50   0.345% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.48 +/- 2.20   0.148% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  23.72 +/- 4.58   0.322% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.41 +/- 1.14   0.715% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.88 +/- 2.24   0.233% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.60 +/- 1.64   0.078% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.80 +/- 6.74   0.111% *  0.0272% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  21.35 +/- 3.30   0.213% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  37.96 +/- 5.19   0.039% *  0.0101% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 88.5:
      O T HA    GLN   90 - HB2   GLN   90   2.64 +/- 0.19  75.290% * 86.9172% (0.27  10.0 10.00   3.96  89.80) =  97.793%  kept
          HA    ALA   91 - HB2   GLN   90   4.72 +/- 0.40  14.576% *  9.5765% (0.18   1.0  1.00   3.29  32.41) =   2.086%  kept
        T HA    GLN   90 - HB3   GLU-  79  11.89 +/- 3.18   3.054% *  2.3393% (0.73   1.0 10.00   0.02   0.02) =   0.107%  kept
          HA    VAL  107 - HB3   GLU-  79  18.70 +/- 4.04   1.694% *  0.2084% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   91 - HB3   GLU-  79  14.06 +/- 2.80   1.083% *  0.1568% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  110 - HB2   GLN   90  13.65 +/- 3.68   1.313% *  0.1000% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB3   GLU-  79  14.24 +/- 5.33   1.393% *  0.0896% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB3   GLU-  79  19.03 +/- 3.20   0.271% *  0.2691% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   GLN   90  15.11 +/- 1.73   0.467% *  0.0774% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  22.22 +/- 4.17   0.204% *  0.1695% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  21.49 +/- 4.38   0.473% *  0.0630% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  22.05 +/- 4.00   0.183% *  0.0333% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.884, support = 3.17, residual support = 11.5:
          HB2   ASP-  76 - HB2   GLU-  79   3.34 +/- 1.52  65.729% * 33.5668% (1.00   1.80   2.61) =  51.272%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.12 +/- 0.74  31.843% * 65.8395% (0.76   4.61  20.82) =  48.721%  kept
          HB2   ASN   69 - HB2   GLU-  79  22.32 +/- 2.84   0.314% *  0.3610% (0.97   0.02   0.02) =   0.003%
          QE    LYS+  66 - HB2   GLU-  79  17.15 +/- 2.74   0.995% *  0.0740% (0.20   0.02   0.02) =   0.002%
          HB2   ASN   28 - HB2   GLU-  79  17.22 +/- 5.30   0.717% *  0.0655% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  33 - HB2   GLU-  79  19.69 +/- 4.11   0.400% *  0.0933% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.74, residual support = 49.6:
          HN    LEU   80 - HB2   GLU-  79   3.06 +/- 0.48  94.076% * 98.6082% (0.61   5.74  49.62) =  99.982%  kept
          HN    SER   85 - HB2   GLU-  79  10.09 +/- 1.15   3.592% *  0.2759% (0.49   0.02   0.02) =   0.011%
          HN    CYS   53 - HB2   GLU-  79  16.89 +/- 3.86   1.392% *  0.2127% (0.38   0.02   0.02) =   0.003%
          HN    GLN   32 - HB2   GLU-  79  19.99 +/- 4.39   0.512% *  0.4917% (0.87   0.02   0.02) =   0.003%
          HN    ALA   34 - HB2   GLU-  79  20.35 +/- 3.45   0.428% *  0.4116% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.89, residual support = 49.6:
          HN    LEU   80 - HB3   GLU-  79   3.04 +/- 0.87  78.148% * 98.0297% (0.61   5.90  49.62) =  99.957%  kept
          HN    SER   85 - HB3   GLU-  79  10.14 +/- 1.38   3.630% *  0.2669% (0.49   0.02   0.02) =   0.013%
          HN    SER   85 - HB2   GLN   90   8.42 +/- 2.40   8.661% *  0.0992% (0.18   0.02   0.02) =   0.011%
          HN    LEU   80 - HB2   GLN   90  11.93 +/- 3.05   3.634% *  0.1236% (0.23   0.02   0.02) =   0.006%
          HN    GLN   32 - HB3   GLU-  79  19.98 +/- 4.42   0.584% *  0.4756% (0.87   0.02   0.02) =   0.004%
          HN    CYS   53 - HB3   GLU-  79  17.39 +/- 3.85   1.290% *  0.2058% (0.38   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLN   90  16.32 +/- 4.51   3.211% *  0.0765% (0.14   0.02   0.02) =   0.003%
          HN    ALA   34 - HB3   GLU-  79  20.41 +/- 3.46   0.473% *  0.3982% (0.73   0.02   0.02) =   0.002%
          HN    GLN   32 - HB2   GLN   90  26.21 +/- 4.24   0.199% *  0.1767% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  26.76 +/- 2.93   0.169% *  0.1479% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.68, residual support = 89.8:
      O   HN    GLN   90 - HB2   GLN   90   3.69 +/- 0.53  81.838% * 98.6230% (0.23  10.0   5.68  89.80) =  99.961%  kept
          HN    GLN   90 - HB3   GLU-  79  12.60 +/- 2.93   4.935% *  0.2654% (0.61   1.0   0.02   0.02) =   0.016%
          HN    GLY  109 - HB2   GLN   90  11.97 +/- 3.57   4.562% *  0.1458% (0.33   1.0   0.02   0.02) =   0.008%
          HN    GLY  109 - HB3   GLU-  79  17.59 +/- 2.93   1.256% *  0.3925% (0.90   1.0   0.02   0.02) =   0.006%
          HE1   HIS   22 - HB3   GLU-  79  13.33 +/- 6.20   5.541% *  0.0675% (0.15   1.0   0.02   0.02) =   0.005%
          HN    ILE  103 - HB3   GLU-  79  20.70 +/- 4.01   0.728% *  0.3504% (0.80   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HB2   GLN   90  20.59 +/- 2.65   0.554% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  23.04 +/- 5.05   0.587% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.24, residual support = 49.6:
          HN    LEU   80 - QG    GLU-  79   3.46 +/- 0.79  86.568% * 98.4803% (0.61   5.25  49.62) =  99.950%  kept
          HN    SER   85 - QG    GLU-  79   9.16 +/- 1.77   6.589% *  0.3012% (0.49   0.02   0.02) =   0.023%
          HN    CYS   53 - QG    GLU-  79  15.94 +/- 3.80   4.366% *  0.2323% (0.38   0.02   0.02) =   0.012%
          HN    GLN   32 - QG    GLU-  79  18.15 +/- 4.01   1.421% *  0.5368% (0.87   0.02   0.02) =   0.009%
          HN    ALA   34 - QG    GLU-  79  18.58 +/- 3.12   1.056% *  0.4494% (0.73   0.02   0.02) =   0.006%
    Distance limit 3.70 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.6, residual support = 49.6:
      O   HN    LEU   80 - HA    GLU-  79   3.51 +/- 0.26  94.148% * 99.2120% (0.28  10.0   5.61  49.62) =  99.982%  kept
          HN    SER   85 - HA    GLU-  79   9.88 +/- 0.81   4.776% *  0.2980% (0.84   1.0   0.02   0.02) =   0.015%
          HN    GLN   32 - HA    GLU-  79  20.59 +/- 3.42   0.596% *  0.3560% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    GLU-  79  21.20 +/- 2.35   0.481% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.657, support = 4.58, residual support = 86.1:
      O   HB2   LEU   80 - QD2   LEU   80   2.68 +/- 0.47  34.776% * 71.2691% (0.87  10.0  1.00   4.28  86.10) =  59.955%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  59.048% * 28.0259% (0.34  10.0  1.00   5.04  86.10) =  40.032%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.00 +/- 4.13   1.627% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.008%
          HB3   LYS+  74 - QD2   LEU   80   9.35 +/- 2.75   1.313% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD2   LEU   80  12.73 +/- 3.27   0.488% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   80  20.23 +/- 4.00   0.196% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  14.71 +/- 5.74   0.333% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  19.41 +/- 5.53   0.194% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  13.92 +/- 2.32   0.354% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  16.76 +/- 6.27   0.307% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.17 +/- 2.65   0.477% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  14.19 +/- 2.93   0.302% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  14.02 +/- 2.87   0.265% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  18.81 +/- 4.59   0.197% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.78 +/- 4.08   0.123% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.873, support = 5.74, residual support = 77.5:
          HA    LEU   80 - QD2   LEU   80   2.41 +/- 0.51  67.862% * 59.6638% (0.87   6.22  86.10) =  89.781%  kept
          HA    THR   23 - QD2   LEU   80   9.84 +/- 6.97  19.753% * 16.2566% (0.99   1.48   0.91) =   7.121%  kept
          HA    ASP-  78 - QD2   LEU   80   6.58 +/- 1.65   7.014% *  9.9644% (0.80   1.13   6.26) =   1.550%  kept
          HB    THR   23 - QD2   LEU   80  11.41 +/- 6.97   4.980% * 14.0161% (0.73   1.75   0.91) =   1.548%  kept
          HA    ASP- 105 - QD2   LEU   80  17.08 +/- 3.86   0.392% *  0.0991% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 4.38, residual support = 24.7:
          HN    LYS+  81 - QD2   LEU   80   4.21 +/- 0.68  45.503% * 41.0716% (0.38   5.90  40.43) =  57.042%  kept
          HE3   TRP   27 - QD2   LEU   80  10.79 +/- 6.60  23.117% * 42.1764% (0.92   2.46   5.12) =  29.759%  kept
          HN    THR   23 - QD2   LEU   80   9.77 +/- 6.70  26.621% * 16.2140% (0.41   2.13   0.91) =  13.174%  kept
          QE    PHE   95 - QD2   LEU   80  12.44 +/- 2.25   2.837% *  0.1662% (0.45   0.02   0.02) =   0.014%
          QD    PHE   55 - QD2   LEU   80  17.42 +/- 2.93   0.856% *  0.3216% (0.87   0.02   0.02) =   0.008%
          HN    LEU   67 - QD2   LEU   80  15.43 +/- 2.31   1.066% *  0.0502% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.07, residual support = 4.36:
          HN    VAL   24 - QD2   LEU   80   9.29 +/- 6.96  61.577% * 99.3120% (0.31   2.08   4.37) =  99.570%  kept
          HN    VAL   43 - QD2   LEU   80  11.61 +/- 2.69  38.423% *  0.6880% (0.22   0.02   0.02) =   0.430%  kept
    Distance limit 3.57 A violated in 10 structures by 4.27 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.283, support = 4.59, residual support = 35.0:
          HN    LYS+  81 - QD1   LEU   80   3.86 +/- 1.21  40.831% * 74.7514% (0.24   5.31  40.43) =  85.054%  kept
          HE3   TRP   27 - QD1   LEU   80  11.64 +/- 7.11  24.823% * 16.0321% (0.60   0.46   5.12) =  11.090%  kept
          HN    THR   23 - QD1   LEU   80  10.80 +/- 7.11  19.776% *  6.7693% (0.27   0.44   0.91) =   3.731%  kept
          HE3   TRP   27 - QD2   LEU   98   8.99 +/- 3.02   6.264% *  0.3969% (0.34   0.02   0.02) =   0.069%
          QE    PHE   95 - QD1   LEU   80  12.43 +/- 2.82   2.137% *  0.3363% (0.29   0.02   0.02) =   0.020%
          QD    PHE   55 - QD1   LEU   80  17.24 +/- 3.08   0.565% *  0.6506% (0.56   0.02   0.02) =   0.010%
          QE    PHE   95 - QD2   LEU   98  10.90 +/- 1.56   1.608% *  0.1927% (0.17   0.02   0.02) =   0.009%
          HN    THR   23 - QD2   LEU   98  13.59 +/- 3.16   1.136% *  0.1767% (0.15   0.02   0.02) =   0.006%
          QD    PHE   55 - QD2   LEU   98  18.53 +/- 2.19   0.377% *  0.3729% (0.32   0.02   0.02) =   0.004%
          HN    LYS+  81 - QD2   LEU   98  15.99 +/- 2.67   0.711% *  0.1614% (0.14   0.02   0.02) =   0.003%
          HN    LEU   67 - QD1   LEU   80  15.68 +/- 3.30   0.891% *  0.1015% (0.09   0.02   0.02) =   0.003%
          HN    LEU   67 - QD2   LEU   98  13.40 +/- 1.56   0.880% *  0.0582% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.22, residual support = 105.1:
          HN    LYS+  81 - QG    LYS+  81   2.61 +/- 0.55  86.464% * 96.6516% (0.87   5.22 105.16) =  99.960%  kept
          HE3   TRP   27 - QG    LYS+  81  16.68 +/- 4.80   1.033% *  2.2048% (0.45   0.23   0.02) =   0.027%
          HE3   TRP   27 - HG2   LYS+  33   8.43 +/- 1.08   3.938% *  0.0916% (0.21   0.02   0.02) =   0.004%
          QD    PHE   60 - QG    LYS+  81  16.30 +/- 3.37   0.834% *  0.2244% (0.53   0.02   0.02) =   0.002%
          QD    PHE   60 - HG2   LYS+ 106  15.09 +/- 3.21   3.561% *  0.0494% (0.12   0.02   0.02) =   0.002%
          QD    PHE   55 - QG    LYS+  81  19.10 +/- 3.48   0.488% *  0.1601% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  23.78 +/- 5.89   0.308% *  0.1772% (0.42   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+  33  16.80 +/- 2.75   0.480% *  0.1075% (0.25   0.02   0.02) =   0.001%
          HE3   TRP   27 - HG2   LYS+ 106  16.91 +/- 3.23   0.629% *  0.0421% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.75 +/- 3.39   0.307% *  0.0814% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  19.15 +/- 2.79   0.425% *  0.0577% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  18.59 +/- 3.78   0.447% *  0.0352% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.32 +/- 2.05   0.424% *  0.0276% (0.06   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.83 +/- 2.69   0.119% *  0.0767% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.70 +/- 3.27   0.544% *  0.0127% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.625, residual support = 1.23:
          HN    GLU-  79 - QG    LYS+  81   6.46 +/- 1.42  50.387% * 92.8254% (0.65   0.63   1.24) =  99.235%  kept
          HN    THR   94 - QG    LYS+  81  13.04 +/- 2.29   9.412% *  1.1366% (0.25   0.02   0.02) =   0.227%  kept
          HN    VAL   70 - HG2   LYS+  33  14.44 +/- 2.42   9.923% *  0.8972% (0.20   0.02   0.02) =   0.189%  kept
          HN    GLU-  79 - HG2   LYS+ 106  18.58 +/- 3.69   9.055% *  0.6488% (0.14   0.02   0.02) =   0.125%  kept
          HN    THR   94 - HG2   LYS+ 106  10.94 +/- 1.09  13.343% *  0.2501% (0.05   0.02   0.02) =   0.071%
          HN    VAL   70 - QG    LYS+  81  21.85 +/- 2.21   1.475% *  1.8739% (0.41   0.02   0.02) =   0.059%
          HN    GLU-  79 - HG2   LYS+  33  21.09 +/- 3.32   1.636% *  1.4117% (0.31   0.02   0.02) =   0.049%
          HN    VAL   70 - HG2   LYS+ 106  18.09 +/- 3.56   3.193% *  0.4123% (0.09   0.02   0.02) =   0.028%
          HN    THR   94 - HG2   LYS+  33  21.73 +/- 2.03   1.575% *  0.5442% (0.12   0.02   0.02) =   0.018%
    Distance limit 3.90 A violated in 13 structures by 2.38 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.75, residual support = 105.0:
      O   HN    LYS+  81 - QB    LYS+  81   2.29 +/- 0.25  78.833% * 98.5771% (0.38  10.0   5.76 105.16) =  99.867%  kept
          QD    PHE   55 - HB3   PRO   52   5.17 +/- 1.16  16.162% *  0.6222% (0.10   1.0   0.48   0.42) =   0.129%  kept
          HE3   TRP   27 - QB    LYS+  81  16.67 +/- 4.95   0.350% *  0.2425% (0.92   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  15.09 +/- 5.91   0.589% *  0.1080% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  14.78 +/- 1.84   0.403% *  0.1178% (0.45   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    LYS+  81  19.36 +/- 2.99   0.181% *  0.2278% (0.87   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   PRO   52  10.70 +/- 3.94   2.462% *  0.0135% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  19.79 +/- 2.62   0.153% *  0.0355% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  22.29 +/- 3.10   0.126% *  0.0278% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.40 +/- 3.99   0.165% *  0.0124% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  20.30 +/- 3.39   0.167% *  0.0113% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  18.89 +/- 4.09   0.409% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 105.2:
      O   HN    LYS+  81 - HA    LYS+  81   2.79 +/- 0.06  97.818% * 99.8291% (0.87  10.0   5.37 105.16) =  99.999%  kept
          HE3   TRP   27 - HA    LYS+  81  17.19 +/- 5.31   0.882% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  16.86 +/- 3.15   0.621% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.25 +/- 3.12   0.338% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  20.11 +/- 3.01   0.341% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.588, support = 3.73, residual support = 26.3:
          HA    LEU   80 - QG    LYS+  81   4.57 +/- 0.74  44.349% * 58.4567% (0.38   5.07  40.43) =  64.646%  kept
          HA    ASP-  78 - QG    LYS+  81   5.45 +/- 2.37  36.781% * 38.2661% (0.98   1.27   0.43) =  35.096%  kept
          HA    THR   23 - QG    LYS+  81  14.70 +/- 6.58   4.476% *  1.9467% (0.76   0.08   0.02) =   0.217%  kept
          HB    THR   23 - QG    LYS+  81  16.30 +/- 6.76   3.962% *  0.1531% (0.25   0.02   0.02) =   0.015%
          HA    THR   23 - HG2   LYS+  33  13.90 +/- 1.38   1.261% *  0.2247% (0.37   0.02   0.02) =   0.007%
          HA    PHE   45 - QG    LYS+  81  11.38 +/- 2.69   2.649% *  0.0947% (0.15   0.02   0.02) =   0.006%
          HB    THR   23 - HG2   LYS+  33  13.09 +/- 1.71   1.577% *  0.0733% (0.12   0.02   0.02) =   0.003%
          HA    ASP-  78 - HG2   LYS+ 106  20.02 +/- 3.44   0.625% *  0.1324% (0.22   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+  33  23.93 +/- 3.04   0.251% *  0.2881% (0.47   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+  33  21.79 +/- 6.29   0.603% *  0.1103% (0.18   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+ 106  18.92 +/- 3.47   0.740% *  0.0507% (0.08   0.02   0.02) =   0.001%
          HA    THR   23 - HG2   LYS+ 106  22.04 +/- 3.02   0.348% *  0.1032% (0.17   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+ 106  13.09 +/- 1.52   1.614% *  0.0208% (0.03   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  19.18 +/- 2.22   0.476% *  0.0454% (0.07   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  23.25 +/- 2.89   0.290% *  0.0337% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.4, residual support = 33.3:
      O   HN    SER   82 - HB3   SER   82   2.64 +/- 0.47  99.439% * 99.5254% (0.41  10.0   3.40  33.27) =  99.999%  kept
          HN    SER  117 - HB3   SER   82  25.45 +/- 3.63   0.286% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HB3   SER   82  26.38 +/- 6.84   0.275% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 3.29, residual support = 14.6:
      O   HN    TRP   49 - HA    SER   48   3.49 +/- 0.07  32.580% * 84.5430% (0.40  10.0   3.24  14.36) =  83.910%  kept
          HN    VAL   83 - HB2   SER   82   3.22 +/- 0.36  41.912% * 10.2780% (0.24   1.0   4.09  19.18) =  13.123%  kept
          HN    CYS   50 - HA    SER   48   4.31 +/- 0.78  21.078% *  4.6097% (0.36   1.0   1.21   0.02) =   2.960%  kept
          HN    TRP   49 - HB2   SER   82  19.04 +/- 4.42   0.402% *  0.1540% (0.72   1.0   0.02   0.02) =   0.002%
          HN    CYS   50 - HB2   SER   82  19.93 +/- 4.52   0.369% *  0.1384% (0.65   1.0   0.02   0.02) =   0.002%
          HE22  GLN   30 - HA    VAL   70  11.11 +/- 1.53   1.310% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  20.34 +/- 6.41   0.420% *  0.0687% (0.32   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  16.09 +/- 4.85   0.991% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    SER   48  19.33 +/- 3.21   0.329% *  0.0377% (0.18   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  20.80 +/- 3.97   0.224% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  20.74 +/- 3.86   0.222% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.03 +/- 3.17   0.164% *  0.0174% (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 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.0, residual support = 33.3:
      O   HN    SER   82 - HB2   SER   82   2.75 +/- 0.62  87.782% * 99.0159% (0.39  10.0   4.00  33.27) =  99.985%  kept
          HN    SER  117 - HA    SER   48  18.70 +/- 4.17   4.896% *  0.1296% (0.51   1.0   0.02   0.02) =   0.007%
          HN    GLY   16 - HA    VAL   70  10.27 +/- 4.54   5.059% *  0.0820% (0.32   1.0   0.02   0.02) =   0.005%
          HN    SER   82 - HA    SER   48  16.21 +/- 5.32   1.049% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HB2   SER   82  26.65 +/- 6.63   0.229% *  0.2361% (0.93   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB2   SER   82  25.66 +/- 3.57   0.159% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.02 +/- 4.31   0.237% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  20.01 +/- 3.12   0.371% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  23.74 +/- 2.56   0.217% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.436, support = 5.33, residual support = 40.8:
          HN    ALA   84 - HB    VAL   83   3.30 +/- 0.29  98.096% * 98.8130% (0.44   5.33  40.81) =  99.992%  kept
          HE21  GLN   32 - HB    VAL   83  23.26 +/- 7.16   0.675% *  0.6829% (0.80   0.02   0.02) =   0.005%
          HN    LYS+ 111 - HB    VAL   83  19.11 +/- 3.22   0.717% *  0.3707% (0.44   0.02   0.02) =   0.003%
          HN    ILE   56 - HB    VAL   83  20.99 +/- 3.36   0.512% *  0.1334% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 85.5:
      O   HN    VAL   83 - HB    VAL   83   2.18 +/- 0.34  99.228% * 99.8243% (0.65  10.0   4.77  85.49) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  17.27 +/- 3.84   0.371% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  16.51 +/- 3.75   0.401% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.891, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.89 +/- 1.11  54.902% * 31.7530% (0.96   0.02   0.02) =  64.243%  kept
          HD21  ASN   28 - HA    ALA   84  15.79 +/- 6.19  20.565% * 30.7120% (0.93   0.02   0.02) =  23.275%  kept
          QE    PHE   60 - HA    ALA   84  15.49 +/- 3.54  13.169% * 16.7431% (0.51   0.02   0.02) =   8.125%  kept
          HN    LEU   63 - HA    ALA   84  17.91 +/- 1.89   5.705% * 11.9438% (0.36   0.02   0.02) =   2.511%  kept
          HN    ILE   56 - HA    ALA   84  19.61 +/- 2.67   5.660% *  8.8482% (0.27   0.02   0.02) =   1.846%  kept
    Distance limit 3.59 A violated in 19 structures by 4.01 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.301, residual support = 0.586:
          QE    PHE   45 - HA    ALA   84   5.22 +/- 2.66  83.409% * 90.2207% (0.81   0.30   0.59) =  98.854%  kept
          QD    PHE   72 - HA    ALA   84  14.03 +/- 1.99   9.840% *  6.8579% (0.93   0.02   0.02) =   0.886%  kept
          HZ    PHE   72 - HA    ALA   84  16.03 +/- 1.86   6.751% *  2.9214% (0.40   0.02   0.02) =   0.259%  kept
    Distance limit 4.15 A violated in 6 structures by 1.56 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.912, support = 1.49, residual support = 12.9:
          HB    ILE   89 - HA    ALA   84   3.34 +/- 1.77  92.161% * 98.5775% (0.91   1.49  12.93) =  99.938%  kept
          HB3   LYS+  99 - HA    ALA   84  20.56 +/- 3.03   4.160% *  0.7938% (0.55   0.02   0.02) =   0.036%
          QG1   ILE   56 - HA    ALA   84  16.62 +/- 2.03   3.680% *  0.6286% (0.43   0.02   0.02) =   0.025%
    Distance limit 3.92 A violated in 1 structures by 0.42 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 3.27, residual support = 28.5:
          QG2   VAL   83 - HA    ALA   84   3.25 +/- 0.45  57.853% * 46.9351% (0.66   3.52  40.81) =  55.781%  kept
          QD1   ILE   89 - HA    ALA   84   3.96 +/- 1.31  40.636% * 52.9680% (0.89   2.95  12.93) =  44.216%  kept
          QD2   LEU   31 - HA    ALA   84  14.32 +/- 4.37   1.511% *  0.0969% (0.24   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.94, residual support = 12.9:
          HG13  ILE   89 - HA    ALA   84   4.44 +/- 1.72 100.000% *100.0000% (0.55   2.94  12.93) = 100.000%  kept
    Distance limit 3.92 A violated in 6 structures by 1.00 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 3.78, residual support = 28.4:
          QG2   VAL   83 - QB    ALA   84   3.75 +/- 0.53  59.195% * 44.0009% (0.66  1.00   3.90  40.81) =  55.512%  kept
          QD1   ILE   89 - QB    ALA   84   4.64 +/- 1.20  37.785% * 55.1791% (0.89  1.00   3.64  12.93) =  44.436%  kept
        T QD2   LEU   31 - QB    ALA   84  12.90 +/- 3.61   3.020% *  0.8200% (0.24 10.00   0.02   0.02) =   0.053%
    Distance limit 3.93 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 = 3.64, residual support = 12.9:
          HG13  ILE   89 - QB    ALA   84   4.92 +/- 1.50 100.000% *100.0000% (0.55   3.64  12.93) = 100.000%  kept
    Distance limit 3.85 A violated in 6 structures by 1.26 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.864, support = 0.3, residual support = 0.591:
          QD    PHE   45 - QB    ALA   84   5.45 +/- 1.94  87.300% * 97.6123% (0.87   0.30   0.59) =  99.821%  kept
          HD2   HIS  122 - QB    ALA   84  18.79 +/- 1.72   7.025% *  1.2693% (0.17   0.02   0.02) =   0.104%  kept
          HE22  GLN  116 - QB    ALA   84  19.92 +/- 3.50   5.675% *  1.1183% (0.15   0.02   0.02) =   0.074%
    Distance limit 4.08 A violated in 8 structures by 1.55 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  12.08 +/- 3.70  55.020% * 28.9138% (0.59   0.02   0.02) =  47.058%  kept
          HE22  GLN   30 - QB    ALA   84  16.62 +/- 3.33  31.618% * 46.0056% (0.93   0.02   0.02) =  43.029%  kept
          HD22  ASN   69 - QB    ALA   84  21.17 +/- 2.17  13.362% * 25.0806% (0.51   0.02   0.02) =   9.913%  kept
    Distance limit 4.29 A violated in 20 structures by 6.74 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.0:
      O   HN    SER   85 - QB    SER   85   2.23 +/- 0.12  95.332% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  15.03 +/- 4.24   0.899% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  21.77 +/- 5.96   0.207% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.22 +/- 1.25   0.516% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.03 +/- 4.25   0.393% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  10.79 +/- 1.52   1.085% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.20 +/- 1.82   0.767% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  20.40 +/- 2.67   0.166% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  22.84 +/- 4.57   0.134% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  23.81 +/- 3.57   0.112% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  21.80 +/- 3.85   0.266% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.03 +/- 3.45   0.123% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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   3.06 +/- 0.26  86.532% * 97.6159% (0.87   3.33  13.43) =  99.979%  kept
          HN    GLU-  29 - QB    SER   85  20.21 +/- 6.21   0.730% *  0.6629% (0.98   0.02   0.02) =   0.006%
          HN    GLN   30 - QB    SER   85  20.36 +/- 5.52   0.613% *  0.5416% (0.80   0.02   0.02) =   0.004%
          HN    GLU-  29 - QB    SER   48  20.47 +/- 4.51   1.668% *  0.1616% (0.24   0.02   0.02) =   0.003%
          HN    GLN   30 - QB    SER   48  19.66 +/- 4.11   1.484% *  0.1321% (0.20   0.02   0.02) =   0.002%
          HN    ASP-  86 - QB    SER   48  16.11 +/- 3.76   1.312% *  0.1431% (0.21   0.02   0.02) =   0.002%
          HN    GLU-  29 - QB    SER  117  24.32 +/- 4.08   0.542% *  0.1023% (0.15   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    SER   48  16.88 +/- 5.09   1.749% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.22 +/- 3.69   0.413% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  20.16 +/- 2.82   0.369% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.97 +/- 0.81   2.142% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  23.34 +/- 4.65   0.273% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.64 +/- 4.95   0.145% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  17.92 +/- 4.42   0.949% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  23.93 +/- 3.15   0.229% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  23.59 +/- 4.90   0.303% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  20.49 +/- 3.38   0.396% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.66 +/- 3.63   0.151% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.51 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   2.26 +/- 0.18  96.427% * 98.5738% (0.12  10.0   2.79  15.38) =  99.993%  kept
          HN    SER  117 - QB    SER   48  17.97 +/- 4.41   2.979% *  0.1558% (0.20   1.0   0.02   0.02) =   0.005%
          HN    SER  117 - QB    SER   85  21.74 +/- 2.53   0.127% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - QB    SER   85  25.74 +/- 5.52   0.123% *  0.4517% (0.57   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - QB    SER   48  20.90 +/- 4.78   0.234% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  23.67 +/- 3.11   0.111% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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  98.416% * 99.8725% (0.99  10.0   3.65  18.03) =  99.999%  kept
          HN    THR   94 - HA    SER   85  13.02 +/- 1.41   1.126% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  24.08 +/- 5.86   0.269% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  25.04 +/- 4.42   0.189% *  0.0176% (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 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   2.51 +/- 0.50  97.327% * 99.6620% (0.95  10.0   3.55  42.50) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  19.06 +/- 6.93   0.796% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  19.05 +/- 7.38   0.894% *  0.0596% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   ASP-  86  17.98 +/- 4.87   0.577% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  28.71 +/- 6.70   0.238% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  24.11 +/- 4.26   0.169% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.02, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.69 +/- 0.40  96.672% * 99.2641% (0.49  10.0   5.02  42.50) =  99.996%  kept
          HN    LYS+  99 - HB2   ASP-  86  17.15 +/- 4.80   0.941% *  0.1883% (0.92   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB2   ASP-  86  18.70 +/- 6.35   0.919% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  23.38 +/- 4.51   0.374% *  0.1968% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB2   ASP-  86  18.80 +/- 6.73   0.957% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  28.38 +/- 6.02   0.137% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.422, support = 3.6, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   2.93 +/- 0.46  83.565% * 37.5680% (0.38   3.60  22.68) =  79.841%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.92 +/- 0.93  13.043% * 60.6421% (0.61   3.60  22.68) =  20.116%  kept
          HN    ALA   91 - HB2   ASP-  86  11.10 +/- 0.78   1.814% *  0.5260% (0.95   0.02   0.02) =   0.024%
          HN    TRP   27 - HB2   ASP-  86  17.01 +/- 5.88   0.985% *  0.5366% (0.97   0.02   0.02) =   0.013%
          HN    ALA   61 - HB2   ASP-  86  20.24 +/- 2.40   0.316% *  0.4987% (0.90   0.02   0.02) =   0.004%
          HN    THR   39 - HB2   ASP-  86  23.06 +/- 5.08   0.278% *  0.2286% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.02 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   2.72 +/- 0.52  91.349% * 95.5136% (0.22 10.00   2.25  10.80) =  99.783%  kept
          HB3   SER   82 - HB2   ASP-  86   6.83 +/- 1.00   6.245% *  2.9461% (0.41  1.00   0.33   0.02) =   0.210%  kept
          HA    GLN   30 - HB2   ASP-  86  20.41 +/- 6.01   0.574% *  0.4140% (0.97  1.00   0.02   0.02) =   0.003%
          HB2   CYS   53 - HB2   ASP-  86  19.66 +/- 2.45   0.335% *  0.3848% (0.90  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   ASP-  86  21.47 +/- 2.48   0.245% *  0.3960% (0.92  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - HB2   ASP-  86  19.85 +/- 4.93   0.505% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  22.85 +/- 2.75   0.266% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  22.55 +/- 4.68   0.292% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  27.08 +/- 5.63   0.189% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.219% * 99.2641% (0.49  10.0   4.16  42.50) =  99.998%  kept
          HN    LYS+  99 - HA    ASP-  86  18.84 +/- 4.94   0.471% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  20.75 +/- 6.52   0.475% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASP-  86  25.57 +/- 4.50   0.170% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  30.48 +/- 6.39   0.123% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  20.64 +/- 7.10   0.542% *  0.0315% (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 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.53, residual support = 70.6:
          HE3   TRP   87 - HA    TRP   87   3.57 +/- 0.35  91.644% * 98.5699% (0.99   3.53  70.62) =  99.960%  kept
          HN    ALA   91 - HA    TRP   87   9.74 +/- 0.90   5.972% *  0.4885% (0.87   0.02   0.02) =   0.032%
          HN    ALA   61 - HA    TRP   87  20.35 +/- 2.34   0.580% *  0.5199% (0.92   0.02   0.02) =   0.003%
          HN    TRP   27 - HA    TRP   87  19.30 +/- 4.60   0.861% *  0.2963% (0.53   0.02   5.58) =   0.003%
          HN    GLN   17 - HA    TRP   87  25.03 +/- 6.17   0.943% *  0.1254% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 1 structures by 0.42 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.22, residual support = 70.6:
      O   HE3   TRP   87 - HB2   TRP   87   2.40 +/- 0.06  97.040% * 99.7445% (0.99  10.0   3.22  70.62) =  99.998%  kept
          HN    ALA   91 - HB2   TRP   87   9.09 +/- 0.78   2.005% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  18.66 +/- 2.66   0.250% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  18.42 +/- 4.19   0.306% *  0.0529% (0.53   1.0   0.02   5.58) =   0.000%
          HN    GLN   17 - HB2   TRP   87  23.59 +/- 6.03   0.399% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.22, residual support = 70.6:
      O   HE3   TRP   87 - HB3   TRP   87   3.90 +/- 0.18  84.547% * 99.7445% (0.99  10.0   3.22  70.62) =  99.985%  kept
          HN    ALA   91 - HB3   TRP   87   7.97 +/- 0.95  11.997% *  0.0873% (0.87   1.0   0.02   0.02) =   0.012%
          HN    ALA   61 - HB3   TRP   87  18.13 +/- 2.55   1.042% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  18.01 +/- 4.27   1.327% *  0.0529% (0.53   1.0   0.02   5.58) =   0.001%
          HN    GLN   17 - HB3   TRP   87  23.45 +/- 5.66   1.086% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.915, support = 2.28, residual support = 18.3:
          QD1   ILE   89 - HB2   TRP   87   3.63 +/- 0.65  71.664% * 61.2329% (0.90   2.48  18.68) =  82.265%  kept
          QG2   VAL   83 - HB2   TRP   87   5.69 +/- 0.49  24.618% * 38.3669% (1.00   1.39  16.54) =  17.707%  kept
          QD2   LEU   31 - HB2   TRP   87  13.83 +/- 4.55   3.718% *  0.4002% (0.73   0.02   1.71) =   0.028%
    Distance limit 3.90 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.445, support = 3.96, residual support = 18.6:
        T QD1   ILE   89 - HB3   TRP   87   2.78 +/- 0.92  69.506% * 95.5002% (0.45 10.00   3.99  18.68) =  98.350%  kept
          QG2   VAL   83 - HB3   TRP   87   4.74 +/- 0.50  25.231% *  4.4033% (0.22  1.00   1.86  16.54) =   1.646%  kept
          QG2   VAL   75 - HB3   TRP   87   9.04 +/- 2.29   3.709% *  0.0592% (0.28  1.00   0.02   0.02) =   0.003%
          QG2   VAL   42 - HB3   TRP   87  11.84 +/- 2.59   1.554% *  0.0373% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.238, support = 0.73, residual support = 18.2:
          HG12  ILE   89 - HB3   TRP   87   3.65 +/- 0.86  76.516% * 54.8868% (0.22   0.75  18.68) =  97.304%  kept
          QB    ALA   91 - HB3   TRP   87   8.45 +/- 1.20  11.439% *  5.7027% (0.87   0.02   0.02) =   1.511%  kept
          HG2   LYS+  74 - HB3   TRP   87  14.90 +/- 3.12   2.696% *  5.8960% (0.90   0.02   0.02) =   0.368%  kept
          HG    LEU   71 - HB3   TRP   87  20.55 +/- 5.08   1.411% *  5.7027% (0.87   0.02   0.02) =   0.186%  kept
          HG13  ILE   19 - HB3   TRP   87  21.33 +/- 4.23   0.968% *  6.5596% (1.00   0.02   0.02) =   0.147%  kept
          QG2   THR   39 - HB3   TRP   87  18.39 +/- 3.21   0.941% *  5.7027% (0.87   0.02   0.02) =   0.124%  kept
          HG3   LYS+  99 - HB3   TRP   87  19.62 +/- 4.13   0.880% *  6.0688% (0.92   0.02   0.02) =   0.124%  kept
          QG2   ILE   56 - HB3   TRP   87  16.28 +/- 2.84   1.415% *  2.7027% (0.41   0.02   0.02) =   0.089%
          QB    ALA   34 - HB3   TRP   87  16.42 +/- 3.69   1.639% *  1.6393% (0.25   0.02   0.02) =   0.062%
          HG3   LYS+ 111 - HB3   TRP   87  16.78 +/- 3.33   1.664% *  1.1513% (0.18   0.02   0.02) =   0.044%
          HG3   LYS+  38 - HB3   TRP   87  25.03 +/- 4.57   0.432% *  3.9875% (0.61   0.02   0.02) =   0.040%
    Distance limit 3.99 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.0:
      O   HN    ALA   88 - HA    ALA   88   2.25 +/- 0.09  99.425% * 99.0353% (0.38  10.0   1.63  12.02) =  99.999%  kept
          HN    LEU   31 - HA    ALA   88  22.37 +/- 4.89   0.149% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  22.36 +/- 3.42   0.139% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  21.52 +/- 2.89   0.137% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  21.52 +/- 3.28   0.149% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.06, residual support = 12.0:
      O   HN    ALA   88 - QB    ALA   88   2.90 +/- 0.20  97.844% * 99.2112% (0.38  10.0   2.06  12.02) =  99.996%  kept
          HN    PHE   55 - QB    ALA   88  18.80 +/- 3.07   0.556% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - QB    ALA   88  18.20 +/- 2.93   0.568% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    ALA   88  19.14 +/- 3.83   0.481% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  18.24 +/- 2.70   0.551% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 215.7:
          QD1   ILE   89 - HA    ILE   89   3.27 +/- 0.60  86.470% * 99.6619% (0.92   5.98 215.77) =  99.964%  kept
          QG2   VAL   83 - HA    ILE   89   6.65 +/- 0.59  12.116% *  0.2481% (0.69   0.02   0.02) =   0.035%
          QD2   LEU   31 - HA    ILE   89  15.89 +/- 3.64   1.414% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.31, residual support = 39.5:
      O   HN    GLN   90 - HA    ILE   89   2.50 +/- 0.37  92.296% * 99.8365% (0.99  10.0   6.31  39.55) =  99.997%  kept
          HN    GLY  109 - HA    ILE   89   9.68 +/- 3.68   5.981% *  0.0280% (0.28   1.0   0.02   0.02) =   0.002%
          HN    SER   82 - HA    ILE   89  11.36 +/- 0.91   1.264% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  16.45 +/- 3.32   0.459% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 215.8:
      O   HN    ILE   89 - HA    ILE   89   2.70 +/- 0.17  98.932% * 99.6601% (0.76  10.0   6.00 215.77) =  99.999%  kept
          HN    ILE  119 - HA    ILE   89  18.19 +/- 3.05   0.416% *  0.1234% (0.95   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    ILE   89  18.52 +/- 3.25   0.374% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  26.72 +/- 2.75   0.113% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  24.32 +/- 3.46   0.164% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.911, support = 2.39, residual support = 8.34:
          HN    ALA   91 - HA    ILE   89   3.75 +/- 0.39  68.198% * 78.0885% (0.95   2.48   7.63) =  93.566%  kept
          HD1   TRP   87 - HA    ILE   89   6.05 +/- 0.92  21.689% * 14.5236% (0.38   1.16  18.68) =   5.534%  kept
          HE3   TRP   87 - HA    ILE   89   7.88 +/- 0.74   8.565% *  5.8776% (0.61   0.29  18.68) =   0.884%  kept
          HN    ALA   61 - HA    ILE   89  17.73 +/- 2.54   0.743% *  0.5959% (0.90   0.02   0.02) =   0.008%
          HN    TRP   27 - HA    ILE   89  19.76 +/- 3.71   0.546% *  0.6412% (0.97   0.02   0.02) =   0.006%
          HN    THR   39 - HA    ILE   89  24.77 +/- 2.58   0.259% *  0.2732% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.729, support = 5.22, residual support = 211.5:
      O T QD1   ILE   89 - HB    ILE   89   2.53 +/- 0.46  59.244% * 89.9879% (0.74  10.0 10.00   5.31 215.77) =  98.020%  kept
        T QD1   ILE   89 - HB    VAL   43   6.39 +/- 3.00  11.448% *  6.6111% (0.16   1.0 10.00   0.67   0.02) =   1.392%  kept
          QG2   VAL   83 - HB    ILE   89   4.90 +/- 0.98  13.941% *  1.7920% (0.55   1.0  1.00   0.54   0.02) =   0.459%  kept
        T QD2   LEU   31 - HB    VAL   43   8.40 +/- 3.54   4.365% *  1.5701% (0.04   1.0 10.00   0.59   0.02) =   0.126%  kept
          QG2   VAL   83 - HB    VAL   43   7.44 +/- 2.63  10.468% *  0.0146% (0.12   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HB    ILE   89  14.41 +/- 3.89   0.535% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.7:
      O T HG13  ILE   89 - HB    ILE   89   2.67 +/- 0.31  93.699% * 99.7821% (0.78  10.0 10.00   4.97 215.77) =  99.985%  kept
        T HG13  ILE   89 - HB    VAL   43   9.11 +/- 2.92   6.301% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.015%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 215.8:
      O   HN    ILE   89 - HB    ILE   89   2.54 +/- 0.60  90.252% * 99.5645% (0.61  10.0   5.57 215.77) =  99.996%  kept
          HN    CYS   21 - HB    VAL   43  11.22 +/- 3.44   4.354% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    ILE   89  16.76 +/- 3.52   0.559% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    ILE   89  18.30 +/- 2.12   0.405% *  0.1232% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    VAL   43  10.50 +/- 3.15   1.910% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.89 +/- 2.85   0.909% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  25.20 +/- 3.06   0.118% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.61 +/- 1.59   0.478% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  22.62 +/- 3.90   0.183% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  14.77 +/- 2.76   0.831% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   9.47 +/- 1.92 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.61 A violated in 20 structures by 5.86 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 1.04, residual support = 18.7:
          HD1   TRP   87 - QG2   ILE   89   4.38 +/- 0.18  92.406% * 94.2268% (0.95   1.04  18.68) =  99.896%  kept
          HN    LYS+ 102 - QG2   ILE   89  16.57 +/- 2.25   1.965% *  1.5354% (0.80   0.02   0.02) =   0.035%
          HN    TRP   27 - QG2   ILE   89  14.71 +/- 3.21   3.561% *  0.6541% (0.34   0.02   0.02) =   0.027%
          HN    THR   39 - QG2   ILE   89  19.43 +/- 2.15   1.163% *  1.7700% (0.92   0.02   0.02) =   0.024%
          HN    GLU-  36 - QG2   ILE   89  21.28 +/- 2.53   0.906% *  1.8138% (0.95   0.02   0.02) =   0.019%
    Distance limit 3.66 A violated in 0 structures by 0.72 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.17, residual support = 39.5:
          HN    GLN   90 - QG2   ILE   89   2.55 +/- 0.53  93.420% * 99.1807% (0.61   7.17  39.55) =  99.977%  kept
          HN    SER   82 - QG2   ILE   89   8.15 +/- 1.07   4.330% *  0.4209% (0.92   0.02   0.02) =   0.020%
          HN    ILE  103 - QG2   ILE   89  13.81 +/- 2.30   0.946% *  0.1874% (0.41   0.02   0.02) =   0.002%
          HN    SER  117 - QG2   ILE   89  14.27 +/- 1.80   0.938% *  0.0703% (0.15   0.02   0.02) =   0.001%
          HN    GLY   16 - QG2   ILE   89  19.90 +/- 4.17   0.365% *  0.1407% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 0.749, residual support = 13.3:
        T HB2   PHE   45 - QG2   ILE   89   4.02 +/- 1.65  77.249% * 99.5807% (0.97 10.00   0.75  13.31) =  99.925%  kept
          QE    LYS+ 111 - QG2   ILE   89  11.37 +/- 2.70  19.399% *  0.2745% (1.00  1.00   0.02   0.02) =   0.069%
          HB2   CYS   21 - QG2   ILE   89  13.66 +/- 2.92   3.352% *  0.1448% (0.53  1.00   0.02   0.02) =   0.006%
    Distance limit 4.06 A violated in 1 structures by 0.51 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.19, support = 5.27, residual support = 36.2:
          QG    GLN   90 - QG2   ILE   89   4.00 +/- 0.34  52.291% * 67.2311% (0.15   5.73  39.55) =  91.428%  kept
          HG2   MET   92 - QG2   ILE   89   7.00 +/- 1.21  15.942% * 13.0790% (0.73   0.24   0.02) =   5.422%  kept
          HB2   ASP-  44 - QG2   ILE   89   8.53 +/- 1.72   7.396% * 13.8804% (0.28   0.66   0.02) =   2.670%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.17 +/- 2.25  12.165% *  0.8611% (0.57   0.02   0.02) =   0.272%  kept
          QG    GLU- 114 - QG2   ILE   89  10.43 +/- 1.86   5.041% *  0.9839% (0.65   0.02   0.02) =   0.129%  kept
          HG2   PRO   52 - QG2   ILE   89  11.61 +/- 2.97   3.553% *  0.3386% (0.22   0.02   0.02) =   0.031%
          HB3   PHE   72 - QG2   ILE   89  13.15 +/- 2.04   1.853% *  0.3010% (0.20   0.02   0.02) =   0.015%
          QG    GLU-  15 - QG2   ILE   89  19.03 +/- 3.24   0.665% *  0.5708% (0.38   0.02   0.02) =   0.010%
          QB    MET   11 - QG2   ILE   89  24.77 +/- 4.18   0.291% *  1.2704% (0.84   0.02   0.02) =   0.010%
          HG3   GLU-  36 - QG2   ILE   89  23.61 +/- 2.61   0.286% *  1.1044% (0.73   0.02   0.02) =   0.008%
          QG    GLU-  14 - QG2   ILE   89  20.47 +/- 3.64   0.516% *  0.3792% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.70 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.493, support = 1.09, residual support = 13.1:
        T HB3   PHE   45 - QG2   ILE   89   4.16 +/- 1.66  53.241% * 93.9480% (0.49 10.00   1.11  13.31) =  98.607%  kept
          HB3   ASP-  86 - QG2   ILE   89   6.99 +/- 0.69  13.024% *  5.0436% (1.00  1.00   0.29   0.02) =   1.295%  kept
          QE    LYS+ 112 - QG2   ILE   89  12.18 +/- 3.03  12.048% *  0.1700% (0.49  1.00   0.02   0.02) =   0.040%
          HG3   MET   96 - QG2   ILE   89   8.47 +/- 2.46  10.358% *  0.1192% (0.34  1.00   0.02   4.94) =   0.024%
          HB3   ASP-  62 - QG2   ILE   89  13.32 +/- 3.21   4.239% *  0.2670% (0.76  1.00   0.02   0.02) =   0.022%
          HB    VAL  107 - QG2   ILE   89   9.40 +/- 1.29   6.151% *  0.0539% (0.15  1.00   0.02   0.02) =   0.007%
          HG2   GLU-  29 - QG2   ILE   89  18.99 +/- 3.38   0.641% *  0.3371% (0.97  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  36 - QG2   ILE   89  23.44 +/- 2.87   0.298% *  0.0612% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.435, support = 3.0, residual support = 10.2:
          QB    ALA   84 - QG2   ILE   89   3.32 +/- 1.32  48.004% * 25.0083% (0.49   1.89  12.93) =  53.124%  kept
          QB    ALA   88 - QG2   ILE   89   5.22 +/- 0.25  18.614% * 43.9424% (0.31   5.25   9.11) =  36.195%  kept
          HB3   PRO   93 - QG2   ILE   89   7.33 +/- 1.20  12.317% * 12.0018% (0.45   0.99   0.02) =   6.541%  kept
          HB3   ASP-  44 - QG2   ILE   89   8.19 +/- 1.62   5.558% * 15.4467% (0.87   0.66   0.02) =   3.799%  kept
          HB3   LEU   80 - QG2   ILE   89   7.09 +/- 1.39   5.822% *  0.5377% (0.99   0.02   0.02) =   0.139%  kept
          HG2   LYS+ 111 - QG2   ILE   89  12.34 +/- 2.33   4.742% *  0.5236% (0.97   0.02   0.02) =   0.110%  kept
          HB2   LEU   63 - QG2   ILE   89  13.14 +/- 2.09   1.339% *  0.5132% (0.95   0.02   0.02) =   0.030%
          HG    LEU   98 - QG2   ILE   89  12.53 +/- 2.78   1.897% *  0.3290% (0.61   0.02   0.02) =   0.028%
          HB2   LEU   31 - QG2   ILE   89  16.33 +/- 3.67   0.697% *  0.5377% (0.99   0.02   0.02) =   0.017%
          HG2   LYS+  99 - QG2   ILE   89  17.73 +/- 2.27   0.448% *  0.4146% (0.76   0.02   0.02) =   0.008%
          QB    ALA  124 - QG2   ILE   89  19.35 +/- 2.22   0.325% *  0.3939% (0.73   0.02   0.02) =   0.006%
          HG2   LYS+  38 - QG2   ILE   89  21.64 +/- 2.24   0.239% *  0.3510% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.47 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.84, residual support = 215.8:
      O T HG13  ILE   89 - QG2   ILE   89   2.60 +/- 0.39 100.000% *100.0000% (0.98  10.0 10.00   5.84 215.77) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.917, support = 6.31, residual support = 210.0:
        T QD1   ILE   89 - QG2   ILE   89   2.14 +/- 0.41  83.320% * 87.3175% (0.92 10.00   6.47 215.77) =  97.325%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.14 +/- 0.40  15.792% * 12.6589% (0.69 10.00   0.39   0.02) =   2.674%  kept
          QD2   LEU   31 - QG2   ILE   89  12.03 +/- 2.98   0.889% *  0.0236% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.54, residual support = 215.7:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.02  87.870% * 99.4549% (0.92  10.0 10.00   5.54 215.77) =  99.991%  kept
          QG2   VAL   83 - HG12  ILE   89   5.71 +/- 1.30   9.014% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.008%
        T QD1   ILE   89 - HG3   LYS+  99  16.06 +/- 3.18   0.258% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG3   LYS+  99  12.07 +/- 3.21   2.192% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  14.76 +/- 3.63   0.455% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  17.36 +/- 2.96   0.211% *  0.0300% (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 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.14, residual support = 215.8:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.930% * 99.5961% (0.98  10.0 10.00   5.14 215.77) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  20.68 +/- 3.05   0.070% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 5.24, residual support = 214.2:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.02  88.577% * 94.3100% (0.90  10.0 10.00   5.27 215.77) =  99.267%  kept
          QG2   VAL   83 - HG13  ILE   89   5.55 +/- 1.37  10.981% *  5.6136% (1.00   1.0  1.00   1.07   0.02) =   0.733%  kept
          QD2   LEU   31 - HG13  ILE   89  14.62 +/- 3.36   0.442% *  0.0764% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 5.83, residual support = 215.5:
      O T QG2   ILE   89 - HG13  ILE   89   2.60 +/- 0.39  81.700% * 99.3718% (0.84  10.0 10.00   5.84 215.77) =  99.859%  kept
          QG1   VAL   83 - HG13  ILE   89   7.60 +/- 1.91  18.300% *  0.6282% (0.22   1.0  1.00   0.47   0.02) =   0.141%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 4.97, residual support = 215.6:
      O T HB    ILE   89 - HG13  ILE   89   2.67 +/- 0.31  91.530% * 98.8208% (0.49  10.0 10.00   4.97 215.77) =  99.931%  kept
        T HB    VAL   43 - HG13  ILE   89   9.11 +/- 2.92   6.155% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.067%
          QD    LYS+  81 - HG13  ILE   89  11.03 +/- 2.12   1.583% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HG13  ILE   89  18.31 +/- 3.20   0.387% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  18.77 +/- 2.99   0.345% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 215.7:
          HN    ILE   89 - HG13  ILE   89   3.53 +/- 0.85  96.144% * 98.7801% (0.76   5.52 215.77) =  99.985%  kept
          HN    CYS   21 - HG13  ILE   89  16.95 +/- 3.00   1.548% *  0.4197% (0.90   0.02   0.02) =   0.007%
          HN    ILE  119 - HG13  ILE   89  17.47 +/- 2.60   1.368% *  0.4427% (0.95   0.02   0.02) =   0.006%
          HN    SER   37 - HG13  ILE   89  25.15 +/- 2.72   0.390% *  0.2649% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  22.76 +/- 3.20   0.550% *  0.0926% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.75, residual support = 215.7:
          HN    ILE   89 - HG12  ILE   89   2.87 +/- 0.57  90.527% * 98.2238% (0.76   5.75 215.77) =  99.984%  kept
          HN    SER   37 - HG3   LYS+  99  12.78 +/- 4.30   5.075% *  0.1026% (0.23   0.02   0.02) =   0.006%
          HN    ILE  119 - HG12  ILE   89  17.67 +/- 3.18   0.743% *  0.4228% (0.95   0.02   0.02) =   0.004%
          HN    CYS   21 - HG12  ILE   89  17.44 +/- 2.74   0.629% *  0.4009% (0.90   0.02   0.02) =   0.003%
          HN    ILE  119 - HG3   LYS+  99  19.62 +/- 5.25   0.579% *  0.1715% (0.38   0.02   0.02) =   0.001%
          HN    CYS   21 - HG3   LYS+  99  19.43 +/- 2.66   0.394% *  0.1626% (0.36   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  25.28 +/- 3.20   0.203% *  0.2531% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG3   LYS+  99  14.88 +/- 3.29   1.250% *  0.0359% (0.08   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  21.66 +/- 3.33   0.309% *  0.1385% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  22.94 +/- 3.59   0.291% *  0.0885% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 215.8:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 215.77) = 100.000%  kept
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.831, support = 6.43, residual support = 214.4:
        T QG2   ILE   89 - QD1   ILE   89   2.14 +/- 0.41  87.226% * 95.7485% (0.84 10.00   6.47 215.77) =  99.354%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.92 +/- 1.36  12.774% *  4.2515% (0.22 10.00   0.33   0.02) =   0.646%  kept
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.54, residual support = 215.8:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.02  95.955% * 99.2664% (1.00  10.0 10.00   5.54 215.77) =  99.997%  kept
        T HG3   LYS+  99 - QD1   ILE   89  16.06 +/- 3.18   0.282% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD1   ILE   89  12.58 +/- 2.05   0.650% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  10.83 +/- 2.56   1.178% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   ILE   89  14.13 +/- 3.15   0.851% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  16.11 +/- 3.45   0.376% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  15.90 +/- 3.15   0.372% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  16.58 +/- 3.07   0.336% *  0.0277% (0.28   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 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.03, residual support = 202.6:
      O T HB    ILE   89 - QD1   ILE   89   2.53 +/- 0.46  80.767% * 74.7190% (0.49  10.0 10.00   5.31 215.77) =  93.885%  kept
        T HB    VAL   43 - QD1   ILE   89   6.39 +/- 3.00  15.630% * 25.1366% (0.49   1.0 10.00   0.67   0.02) =   6.112%  kept
          QD    LYS+  81 - QD1   ILE   89   9.77 +/- 1.55   2.444% *  0.0631% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QD1   ILE   89  14.12 +/- 3.31   0.593% *  0.0576% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  14.48 +/- 3.14   0.567% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 4.93:
        T HB3   MET   96 - QD1   ILE   89   5.86 +/- 2.88  66.215% * 97.1884% (0.53 10.00   1.50   4.94) =  99.742%  kept
          HB2   LEU   40 - QD1   ILE   89  15.26 +/- 2.55   5.333% *  2.3031% (0.90  1.00   0.21   0.02) =   0.190%  kept
          HB3   ARG+  54 - QD1   ILE   89  16.75 +/- 1.81  11.066% *  0.2136% (0.87  1.00   0.02   0.02) =   0.037%
          HB    VAL   18 - QD1   ILE   89  14.77 +/- 4.64   9.009% *  0.1494% (0.61  1.00   0.02   0.02) =   0.021%
          HB2   LEU   67 - QD1   ILE   89  14.47 +/- 2.80   5.993% *  0.0840% (0.34  1.00   0.02   0.02) =   0.008%
          HB3   GLU-  14 - QD1   ILE   89  21.89 +/- 3.95   2.384% *  0.0614% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 6 structures by 2.23 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.761, support = 3.98, residual support = 18.6:
        T HB3   TRP   87 - QD1   ILE   89   2.78 +/- 0.92  75.214% * 98.3649% (0.76 10.00   3.99  18.68) =  99.552%  kept
          HG3   MET   96 - QD1   ILE   89   6.48 +/- 3.45  22.166% *  1.4918% (0.14  1.00   1.71   4.94) =   0.445%  kept
          HG3   GLN  116 - QD1   ILE   89  15.40 +/- 2.76   2.336% *  0.1075% (0.84  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  36 - QD1   ILE   89  22.18 +/- 3.20   0.284% *  0.0358% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.481, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  12.64 +/- 2.11  49.667% * 62.4025% (0.57   0.02   0.02) =  62.090%  kept
          HB    THR  118 - QD1   ILE   89  12.70 +/- 3.15  50.333% * 37.5975% (0.34   0.02   0.02) =  37.910%  kept
    Distance limit 2.99 A violated in 20 structures by 7.90 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.01, residual support = 13.3:
          QD    PHE   45 - QD1   ILE   89   3.38 +/- 1.61  91.993% * 96.6915% (0.45   3.01  13.31) =  99.884%  kept
          HE22  GLN  116 - QD1   ILE   89  16.99 +/- 2.94   3.978% *  1.4024% (0.98   0.02   0.02) =   0.063%
          HD2   HIS  122 - QD1   ILE   89  15.58 +/- 3.12   3.032% *  1.4181% (0.99   0.02   0.02) =   0.048%
          HE22  GLN   17 - QD1   ILE   89  19.96 +/- 4.54   0.997% *  0.4880% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.92 A violated in 2 structures by 0.38 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 2.4, residual support = 18.7:
          HN    TRP   87 - QD1   ILE   89   4.46 +/- 0.94  55.571% * 79.5093% (0.97   2.46  18.68) =  84.898%  kept
          HE3   TRP   87 - QD1   ILE   89   5.09 +/- 0.47  40.835% * 19.1897% (0.28   2.06  18.68) =  15.057%  kept
          HN    GLN   17 - QD1   ILE   89  18.34 +/- 4.17   1.852% *  0.6686% (1.00   0.02   0.02) =   0.024%
          HD21  ASN   69 - QD1   ILE   89  17.61 +/- 3.21   1.742% *  0.6324% (0.95   0.02   0.02) =   0.021%
    Distance limit 3.98 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 215.7:
          HN    ILE   89 - QD1   ILE   89   3.17 +/- 0.68  93.860% * 98.8559% (0.76   5.89 215.77) =  99.978%  kept
          HN    CYS   21 - QD1   ILE   89  13.30 +/- 2.84   2.716% *  0.3936% (0.90   0.02   0.02) =   0.012%
          HN    ILE  119 - QD1   ILE   89  14.25 +/- 2.40   1.780% *  0.4152% (0.95   0.02   0.02) =   0.008%
          HN    SER   37 - QD1   ILE   89  19.76 +/- 2.80   0.632% *  0.2485% (0.57   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE   89  17.84 +/- 3.01   1.012% *  0.0869% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.77, residual support = 89.7:
          HN    GLN   90 - QG    GLN   90   2.97 +/- 0.61  94.982% * 97.9962% (0.69   5.77  89.80) =  99.923%  kept
          HN    GLY  109 - QG    GLN   90  10.55 +/- 3.20   4.292% *  1.5937% (0.69   0.09   0.02) =   0.073%
          HN    ILE  103 - QG    GLN   90  17.47 +/- 2.80   0.726% *  0.4101% (0.83   0.02   0.02) =   0.003%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.68, residual support = 89.8:
      O   HN    GLN   90 - HB3   GLN   90   3.38 +/- 0.44  90.656% * 99.8365% (0.83  10.0   5.68  89.80) =  99.996%  kept
          HN    SER   82 - HB3   GLN   90  11.29 +/- 2.95   5.013% *  0.0452% (0.37   1.0   0.02   0.02) =   0.003%
          HN    GLY  109 - HB3   GLN   90  11.70 +/- 3.56   3.817% *  0.0280% (0.23   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HB3   GLN   90  19.93 +/- 2.59   0.514% *  0.0903% (0.75   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.162, support = 4.13, residual support = 56.6:
      O   HN    GLU-  79 - HB3   GLU-  79   3.11 +/- 0.57  76.294% * 94.8693% (0.16  10.0   4.14  56.73) =  99.778%  kept
          HN    THR   94 - HB2   GLN   90  10.26 +/- 0.95   2.746% *  3.8391% (0.55   1.0   0.24   0.02) =   0.145%  kept
          HN    SER   85 - HB2   GLN   90   8.42 +/- 2.40   6.990% *  0.3603% (0.61   1.0   0.02   0.02) =   0.035%
          HN    THR   94 - HB3   GLU-  79  12.55 +/- 2.57   7.104% *  0.2344% (0.40   1.0   0.02   0.02) =   0.023%
          HN    SER   85 - HB3   GLU-  79  10.14 +/- 1.38   3.840% *  0.2608% (0.44   1.0   0.02   0.02) =   0.014%
          HN    GLU-  79 - HB2   GLN   90  12.48 +/- 2.76   2.349% *  0.1311% (0.22   1.0   0.02   0.02) =   0.004%
          HN    GLN   32 - HB3   GLU-  79  19.98 +/- 4.42   0.489% *  0.1281% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  26.21 +/- 4.24   0.189% *  0.1770% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.39, residual support = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.70 +/- 0.23  75.937% * 94.7389% (0.57  10.0 10.00   4.40  56.73) =  99.808%  kept
          HB    THR   77 - HB3   GLU-  79   7.96 +/- 0.73   3.486% *  2.5812% (0.46   1.0  1.00   0.67   0.02) =   0.125%  kept
        T HA    GLU-  79 - HB2   GLN   90  13.37 +/- 3.28   2.283% *  1.3091% (0.78   1.0 10.00   0.02   0.02) =   0.041%
          HA    SER   85 - HB2   GLN   90   7.52 +/- 2.13   7.605% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.011%
          HB    THR   77 - HB2   GLN   90  10.14 +/- 4.18   4.938% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.007%
          HA    SER   85 - HB3   GLU-  79  12.48 +/- 1.61   1.122% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.19 +/- 1.69   1.009% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  13.41 +/- 1.14   0.718% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  18.02 +/- 4.74   0.531% *  0.1158% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  19.37 +/- 4.52   0.489% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLN   90  19.88 +/- 4.27   0.403% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  19.64 +/- 3.50   0.347% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  18.40 +/- 4.96   0.521% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.88 +/- 2.24   0.234% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.48 +/- 2.20   0.148% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.60 +/- 1.64   0.079% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.80 +/- 6.74   0.112% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  37.96 +/- 5.19   0.039% *  0.0917% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.621, support = 0.765, residual support = 0.73:
          QB    ALA   88 - QG    GLN   90   4.82 +/- 0.92  60.493% * 93.2475% (0.62   0.78   0.75) =  97.777%  kept
          QG2   THR   77 - QG    GLN   90   7.72 +/- 3.22  36.741% *  3.4013% (0.88   0.02   0.02) =   2.166%  kept
          QG2   THR   23 - QG    GLN   90  16.72 +/- 3.44   1.780% *  1.3023% (0.34   0.02   0.02) =   0.040%
          HG2   LYS+  99 - QG    GLN   90  22.42 +/- 2.24   0.627% *  0.8653% (0.22   0.02   0.02) =   0.009%
          HG2   LYS+  38 - QG    GLN   90  26.78 +/- 2.27   0.358% *  1.1836% (0.31   0.02   0.02) =   0.007%
    Distance limit 3.54 A violated in 3 structures by 0.81 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.668, support = 0.02, residual support = 0.02:
          HB3   LYS+ 111 - QG    GLN   90  14.34 +/- 2.73  13.924% * 17.3580% (0.90   0.02   0.02) =  30.854%  kept
          HD3   LYS+  74 - QG    GLN   90  15.88 +/- 3.21   7.322% * 17.3194% (0.89   0.02   0.02) =  16.189%  kept
          QG    LYS+  81 - QG    GLN   90   8.44 +/- 2.44  36.886% *  3.4351% (0.18   0.02   0.02) =  16.175%  kept
          HG    LEU  104 - QG    GLN   90  19.32 +/- 2.62   5.567% * 17.0143% (0.88   0.02   0.02) =  12.091%  kept
          QD    LYS+  66 - QG    GLN   90  18.74 +/- 4.02   5.501% *  9.8273% (0.51   0.02   0.02) =   6.901%  kept
          HB3   LYS+ 121 - QG    GLN   90  20.83 +/- 2.67   2.816% * 17.0143% (0.88   0.02   0.02) =   6.116%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.54 +/- 2.27  13.289% *  2.6782% (0.14   0.02   0.02) =   4.544%  kept
          HG2   LYS+  65 - QG    GLN   90  18.78 +/- 5.18  10.154% *  3.0399% (0.16   0.02   0.02) =   3.940%  kept
          HG2   LYS+  33 - QG    GLN   90  24.43 +/- 3.03   1.622% *  8.4490% (0.44   0.02   0.02) =   1.749%  kept
          HD2   LYS+ 121 - QG    GLN   90  20.98 +/- 2.99   2.919% *  3.8645% (0.20   0.02   0.02) =   1.440%  kept
    Distance limit 3.79 A violated in 18 structures by 3.75 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.727, support = 2.92, residual support = 60.3:
      O   HG3   MET   92 - HB2   MET   92   2.70 +/- 0.27  89.592% * 78.2154% (0.73  10.0  1.00   2.96  61.32) =  98.361%  kept
        T QG    GLN   90 - HB2   MET   92   8.16 +/- 1.36   5.863% * 19.8217% (0.80   1.0 10.00   0.46   0.11) =   1.631%  kept
        T HB2   ASP- 105 - HB2   MET   92  16.68 +/- 1.94   0.546% *  0.3674% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HB2   MET   92  15.56 +/- 3.29   1.033% *  0.1075% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  26.72 +/- 3.74   0.111% *  0.6968% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   MET   92  12.15 +/- 1.17   1.103% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   MET   92  25.37 +/- 2.77   0.129% *  0.5243% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  18.59 +/- 2.04   0.363% *  0.0782% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.02 +/- 3.64   0.208% *  0.0900% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.79 +/- 2.08   0.945% *  0.0189% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.12 +/- 1.82   0.109% *  0.0146% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 61.3:
      O   HN    MET   92 - HB2   MET   92   3.10 +/- 0.58  80.582% * 99.7272% (0.92  10.0   3.65  61.32) =  99.985%  kept
          HN    THR   46 - HB2   MET   92   8.98 +/- 2.18   6.914% *  0.1078% (1.00   1.0   0.02   0.02) =   0.009%
          HN    LYS+ 112 - HB2   MET   92  11.64 +/- 3.71  11.530% *  0.0300% (0.28   1.0   0.02   0.02) =   0.004%
          HN    LYS+  74 - HB2   MET   92  16.85 +/- 2.02   0.901% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  36.93 +/- 5.60   0.073% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 61.3:
      O T HA    MET   92 - HB2   MET   92   2.70 +/- 0.29  99.261% * 99.8006% (0.61  10.0 10.00   3.87  61.32) =  99.999%  kept
          HA    HIS  122 - HB2   MET   92  22.38 +/- 4.14   0.468% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HB2   MET   92  20.01 +/- 1.42   0.271% *  0.0676% (0.41   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 61.2:
      O   HG3   MET   92 - HB3   MET   92   2.64 +/- 0.25  91.271% * 93.8668% (0.73  10.0   3.29  61.32) =  99.773%  kept
          QG    GLN   90 - HB3   MET   92   8.56 +/- 1.12   3.474% *  5.4932% (0.80   1.0   1.06   0.11) =   0.222%  kept
          HG12  ILE  119 - HB3   MET   92  14.53 +/- 3.08   1.580% *  0.1290% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB3   MET   92  11.28 +/- 1.28   1.426% *  0.0784% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  17.78 +/- 1.98   0.362% *  0.0939% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.83 +/- 1.90   0.527% *  0.0441% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  13.45 +/- 1.95   0.865% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.56 +/- 3.22   0.148% *  0.1080% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.16 +/- 3.73   0.117% *  0.0836% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  24.76 +/- 2.77   0.130% *  0.0629% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.44 +/- 1.41   0.101% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 61.3:
      O T HA    MET   92 - HB3   MET   92   2.91 +/- 0.10  99.018% * 99.8006% (0.61  10.0 10.00   4.22  61.32) =  99.999%  kept
          HA    HIS  122 - HB3   MET   92  21.52 +/- 3.69   0.613% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HB3   MET   92  19.23 +/- 1.15   0.369% *  0.0676% (0.41   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 61.3:
      O T HA    MET   92 - HG2   MET   92   2.80 +/- 0.50  99.144% * 99.8006% (0.61  10.0 10.00   2.49  61.32) =  99.999%  kept
          HA    HIS  122 - HG2   MET   92  22.95 +/- 3.75   0.548% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HG2   MET   92  20.63 +/- 1.58   0.308% *  0.0676% (0.41   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.398, support = 0.57, residual support = 2.81:
          HB2   SER   37 - QG2   THR   39   2.88 +/- 0.89  68.738% * 38.3678% (0.30   0.64   4.17) =  65.777%  kept
          HA1   GLY   16 - QG2   THR   39   7.33 +/- 4.57  25.215% * 54.0895% (0.60   0.45   0.18) =  34.016%  kept
          HA    LYS+  66 - QG2   THR   39  12.55 +/- 2.17   2.647% *  1.8612% (0.46   0.02   0.02) =   0.123%  kept
          HA1   GLY   16 - QG2   THR   23  15.90 +/- 1.91   0.767% *  1.3636% (0.33   0.02   0.02) =   0.026%
          HA    LYS+  66 - QG2   THR   23  16.54 +/- 2.89   0.825% *  1.0444% (0.26   0.02   0.02) =   0.022%
          HA    LYS+  66 - QB    ALA   91  18.48 +/- 4.41   0.653% *  0.8789% (0.22   0.02   0.02) =   0.014%
          HB2   SER   37 - QG2   THR   23  16.37 +/- 1.75   0.672% *  0.6771% (0.17   0.02   0.02) =   0.011%
          HA1   GLY   16 - QB    ALA   91  23.21 +/- 4.16   0.298% *  1.1475% (0.28   0.02   0.02) =   0.009%
          HB2   SER   37 - QB    ALA   91  24.22 +/- 0.97   0.184% *  0.5698% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.48 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.0, residual support = 61.1:
      O   HN    MET   92 - HB3   MET   92   3.64 +/- 0.37  83.925% * 97.4428% (0.92  10.0   4.01  61.32) =  99.712%  kept
          HN    THR   46 - HB3   MET   92   8.41 +/- 1.97   9.409% *  2.4949% (0.76   1.0   0.62   0.02) =   0.286%  kept
          HN    ASP- 113 - HB3   MET   92  12.27 +/- 3.31   5.510% *  0.0263% (0.25   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB3   MET   92  16.20 +/- 1.83   1.157% *  0.0360% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 0.701, support = 0.02, residual support = 0.029:
          HA    THR   46 - HB3   MET   92   7.24 +/- 2.81  44.514% * 16.4223% (0.80   0.02   0.02) =  68.016%  kept
          HA    GLN   90 - HB3   MET   92   8.31 +/- 0.61  30.800% *  3.5917% (0.18   0.02   0.11) =  10.293%  kept
          HA    VAL   42 - HB3   MET   92  15.85 +/- 1.13   4.747% * 18.3930% (0.90   0.02   0.02) =   8.124%  kept
          HA    PHE   55 - HB3   MET   92  15.56 +/- 4.18   8.080% *  6.3300% (0.31   0.02   0.02) =   4.759%  kept
          HA    GLN   17 - HB3   MET   92  22.91 +/- 4.00   2.183% * 17.7900% (0.87   0.02   0.02) =   3.614%  kept
          HA    PRO   58 - HB3   MET   92  16.73 +/- 2.97   5.298% *  5.1139% (0.25   0.02   0.02) =   2.521%  kept
          HA    SER   37 - HB3   MET   92  29.53 +/- 1.53   0.697% * 17.7900% (0.87   0.02   0.02) =   1.153%  kept
          HA    GLU-  15 - HB3   MET   92  26.73 +/- 2.97   1.128% *  5.7022% (0.28   0.02   0.02) =   0.598%  kept
          HA    LEU   40 - HB3   MET   92  21.98 +/- 1.36   1.835% *  3.1644% (0.15   0.02   0.02) =   0.540%  kept
          HA    SER   13 - HB3   MET   92  31.41 +/- 3.47   0.718% *  5.7022% (0.28   0.02   0.02) =   0.381%  kept
    Distance limit 4.28 A violated in 12 structures by 1.90 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 61.3:
      O T HA    MET   92 - HG3   MET   92   3.13 +/- 0.71  97.290% * 99.9198% (0.99  10.0 10.00   3.97  61.32) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  16.14 +/- 2.04   1.213% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG3   MET   92  22.76 +/- 4.38   1.497% *  0.0311% (0.31   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 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 61.3:
          HN    MET   92 - HG3   MET   92   3.61 +/- 0.72  83.183% * 99.2221% (0.92   3.74  61.32) =  99.940%  kept
          HN    THR   46 - HG3   MET   92   9.98 +/- 2.12   8.318% *  0.4388% (0.76   0.02   0.02) =   0.044%
          HN    ASP- 113 - HG3   MET   92  13.02 +/- 3.64   7.462% *  0.1432% (0.25   0.02   0.02) =   0.013%
          HN    LYS+  74 - HG3   MET   92  17.67 +/- 2.12   1.037% *  0.1959% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.382, support = 0.02, residual support = 0.116:
          QD    PHE   45 - HB2   PRO   93   6.75 +/- 1.37  62.931% * 67.4545% (0.41   0.02   0.13) =  89.418%  kept
          HN    LYS+  65 - HB2   PRO   93  13.03 +/- 3.01  17.182% * 25.3164% (0.15   0.02   0.02) =   9.163%  kept
          QD    PHE   45 - HG3   GLN   30  14.42 +/- 2.36   8.577% *  5.2564% (0.03   0.02   0.02) =   0.950%  kept
          HN    LYS+  65 - HG3   GLN   30  13.79 +/- 1.95  11.310% *  1.9728% (0.01   0.02   0.02) =   0.470%  kept
    Distance limit 4.38 A violated in 17 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.38, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.81 +/- 0.25  79.551% * 99.8806% (1.00  10.0   4.38  15.62) =  99.984%  kept
          HN    GLU-  79 - HB2   PRO   93  12.88 +/- 3.22  16.343% *  0.0727% (0.73   1.0   0.02   0.02) =   0.015%
          HN    SER   85 - HB2   PRO   93  14.95 +/- 1.50   1.404% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  17.02 +/- 3.85   1.243% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.44 +/- 2.44   0.811% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  21.70 +/- 5.22   0.648% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.386, support = 0.02, residual support = 0.117:
          QD    PHE   45 - HG2   PRO   93   8.06 +/- 1.42  77.953% * 72.7108% (0.41   0.02   0.13) =  90.404%  kept
          HN    LYS+  65 - HG2   PRO   93  14.83 +/- 3.09  22.047% * 27.2892% (0.15   0.02   0.02) =   9.596%  kept
    Distance limit 4.22 A violated in 19 structures by 3.78 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   2.54 +/- 0.27  84.750% * 98.6893% (0.84  10.0  1.00   5.30 132.29) =  99.981%  kept
          HB    ILE  119 - HG3   PRO   93  13.06 +/- 3.25   9.980% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.013%
          HB    VAL  108 - HG3   PRO   93  10.79 +/- 1.86   1.587% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HG3   PRO   93  12.92 +/- 4.39   1.499% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  22.38 +/- 2.68   0.166% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG3   PRO   93  21.12 +/- 5.74   1.717% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  21.96 +/- 2.26   0.179% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.69 +/- 1.31   0.082% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  35.51 +/- 4.43   0.040% *  0.0182% (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 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  87.346% * 96.9677% (0.99  10.0 10.00   3.97 132.29) =  99.985%  kept
        T QB    LYS+  65 - HG3   PRO   93  13.31 +/- 3.21   0.453% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HG3   PRO   93   9.42 +/- 5.21   9.228% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU  123 - HG3   PRO   93  17.23 +/- 3.96   0.802% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HG3   PRO   93  14.79 +/- 3.92   1.862% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   PRO   93  19.29 +/- 2.15   0.076% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  21.34 +/- 1.00   0.050% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.38 +/- 1.23   0.080% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.35 +/- 2.64   0.059% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  23.04 +/- 2.91   0.044% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.92, residual support = 128.2:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  81.043% * 74.0258% (0.95  10.0 10.00   3.97 132.29) =  96.875%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.42 +/- 3.83  11.472% *  8.6417% (0.98   1.0 10.00   0.23   0.02) =   1.601%  kept
          HB3   MET   92 - HG2   PRO   93   4.35 +/- 0.58   5.911% * 15.9428% (0.92   1.0  1.00   4.41   1.91) =   1.522%  kept
        T QD    LYS+  65 - HG2   PRO   93  14.79 +/- 3.97   0.346% *  0.1742% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   PRO   93  21.92 +/- 1.23   0.043% *  0.6266% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.37 +/- 3.68   0.346% *  0.0755% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.27 +/- 1.60   0.288% *  0.0475% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.84 +/- 3.14   0.156% *  0.0627% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.40 +/- 2.05   0.029% *  0.3217% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.45 +/- 2.21   0.157% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.35 +/- 2.98   0.158% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.68 +/- 1.26   0.052% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.50 +/- 0.28  78.347% * 99.5358% (0.97  10.0   3.97 132.29) =  99.974%  kept
          QB    PHE   55 - HG3   PRO   93  10.01 +/- 4.46   8.601% *  0.1029% (1.00   1.0   0.02   0.02) =   0.011%
          HB3   CYS   53 - HG3   PRO   93   8.88 +/- 3.97   7.649% *  0.0861% (0.84   1.0   0.02   0.02) =   0.008%
          HB2   PHE   59 - HG3   PRO   93  11.19 +/- 3.72   3.953% *  0.0952% (0.92   1.0   0.02   0.02) =   0.005%
          HD3   PRO   68 - HG3   PRO   93  18.91 +/- 4.43   0.693% *  0.1011% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HG3   PRO   93  14.51 +/- 4.49   0.756% *  0.0788% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.2:
      O   HD2   PRO   93 - HG3   PRO   93   2.67 +/- 0.27  92.031% * 99.4436% (0.25  10.0   3.97 132.29) =  99.969%  kept
          HA    THR   77 - HG3   PRO   93  11.41 +/- 3.46   7.457% *  0.3681% (0.92   1.0   0.02   0.02) =   0.030%
          HB2   TRP   27 - HG3   PRO   93  19.71 +/- 2.84   0.345% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.77 +/- 2.18   0.168% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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  14.68 +/- 3.03 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.27 A violated in 20 structures by 10.42 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.693, support = 1.77, residual support = 3.85:
          HN    ALA  110 - HD2   PRO   93   7.66 +/- 3.48  47.765% * 77.2785% (0.71   2.00   4.63) =  82.571%  kept
          HN    PHE   45 - HD2   PRO   93   8.34 +/- 0.78  35.120% * 21.9525% (0.61   0.67   0.13) =  17.246%  kept
          HN    ASP-  44 - HD2   PRO   93  12.19 +/- 0.73  11.814% *  0.6309% (0.11   0.10   0.02) =   0.167%  kept
          HN    GLU-  25 - HD2   PRO   93  22.35 +/- 3.82   5.301% *  0.1381% (0.13   0.02   0.02) =   0.016%
    Distance limit 4.32 A violated in 13 structures by 1.98 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.445, support = 0.02, residual support = 0.02:
          HA1   GLY  109 - HD2   PRO   93   8.75 +/- 3.42  40.803% * 14.0670% (0.38   0.02   0.02) =  38.509%  kept
          HA    CYS   50 - HD2   PRO   93  10.68 +/- 4.02  26.757% * 13.0143% (0.35   0.02   0.02) =  23.363%  kept
          HA    TRP   49 - HD2   PRO   93  13.39 +/- 3.16  11.968% * 18.3659% (0.50   0.02   0.02) =  14.747%  kept
          HA    CYS   21 - HD2   PRO   93  20.62 +/- 2.62   9.049% * 23.1925% (0.63   0.02   0.02) =  14.081%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.52 +/- 1.40   3.870% * 26.6778% (0.72   0.02   0.02) =   6.927%  kept
          HA    ALA   20 - HD2   PRO   93  18.99 +/- 2.59   7.553% *  4.6825% (0.13   0.02   0.02) =   2.373%  kept
    Distance limit 4.28 A violated in 16 structures by 3.13 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.684, support = 1.98, residual support = 4.57:
          QB    ALA  110 - HD2   PRO   93   6.50 +/- 3.56  33.463% * 92.9394% (0.69   2.00   4.63) =  98.760%  kept
          QB    ALA   61 - HD2   PRO   93  12.95 +/- 2.35   8.870% *  0.9803% (0.72   0.02   0.02) =   0.276%  kept
          QG    LYS+  66 - HD2   PRO   93  16.20 +/- 3.91   9.744% *  0.7867% (0.58   0.02   0.02) =   0.243%  kept
          HG    LEU   80 - HD2   PRO   93  15.51 +/- 2.78   6.224% *  0.9482% (0.70   0.02   0.02) =   0.187%  kept
          HB2   LEU   80 - HD2   PRO   93  14.59 +/- 2.17   7.546% *  0.4782% (0.35   0.02   0.02) =   0.115%  kept
          HG    LEU   73 - HD2   PRO   93  17.47 +/- 2.76   5.739% *  0.5959% (0.44   0.02   0.02) =   0.109%  kept
          HB3   LEU   67 - HD2   PRO   93  18.65 +/- 3.08   2.802% *  0.9294% (0.69   0.02   0.02) =   0.083%
          HB3   LEU  115 - HD2   PRO   93  10.28 +/- 3.42  12.613% *  0.1721% (0.13   0.02   0.02) =   0.069%
          HG12  ILE   19 - HD2   PRO   93  22.57 +/- 2.41   1.675% *  0.8811% (0.65   0.02   0.02) =   0.047%
          HB3   LYS+  74 - HD2   PRO   93  16.10 +/- 1.53   4.576% *  0.3032% (0.22   0.02   0.02) =   0.044%
          HD3   LYS+ 121 - HD2   PRO   93  19.23 +/- 3.32   3.148% *  0.3351% (0.25   0.02   0.02) =   0.034%
          HG2   LYS+ 102 - HD2   PRO   93  24.30 +/- 2.01   1.490% *  0.4782% (0.35   0.02   0.02) =   0.023%
          HG    LEU   40 - HD2   PRO   93  19.46 +/- 1.45   2.108% *  0.1721% (0.13   0.02   0.02) =   0.012%
    Distance limit 3.87 A violated in 11 structures by 2.13 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.456, support = 1.82, residual support = 10.5:
          QB    ALA  110 - HD3   PRO   93   6.69 +/- 3.06  20.357% * 56.5921% (0.78   0.75   4.63) =  54.254%  kept
          HB3   LEU   67 - HD3   PRO   68   4.16 +/- 0.60  33.855% * 25.5237% (0.08   3.39  19.54) =  40.693%  kept
          QG    LYS+  66 - HD3   PRO   68   5.49 +/- 1.85  23.659% *  4.0040% (0.05   0.84   0.02) =   4.461%  kept
          QB    ALA   61 - HD3   PRO   93  12.59 +/- 2.41   1.774% *  1.1255% (0.58   0.02   0.02) =   0.094%
          QG    LYS+  66 - HD3   PRO   93  15.98 +/- 4.00   3.656% *  0.5370% (0.28   0.02   0.02) =   0.092%
          HB2   LEU   80 - HD3   PRO   93  14.62 +/- 2.15   0.859% *  1.6457% (0.85   0.02   0.02) =   0.067%
          HG    LEU   80 - HD3   PRO   93  15.51 +/- 2.84   0.965% *  1.4532% (0.75   0.02   0.02) =   0.066%
          HB3   LYS+  74 - HD3   PRO   93  15.96 +/- 1.59   0.721% *  1.3931% (0.72   0.02   0.02) =   0.047%
          HD3   LYS+ 121 - HD3   PRO   68  17.42 +/- 5.97   3.093% *  0.2586% (0.13   0.02   0.02) =   0.038%
          HD3   LYS+ 121 - HD3   PRO   93  19.39 +/- 3.16   0.506% *  1.4532% (0.75   0.02   0.02) =   0.035%
          QB    ALA   61 - HD3   PRO   68  10.06 +/- 1.14   2.255% *  0.2003% (0.10   0.02   0.02) =   0.021%
          HB3   LEU   67 - HD3   PRO   93  18.56 +/- 3.08   0.519% *  0.8468% (0.44   0.02   0.02) =   0.021%
          QB    LEU   98 - HD3   PRO   93  16.99 +/- 0.86   0.471% *  0.9153% (0.47   0.02   0.02) =   0.020%
          HB3   LYS+  74 - HD3   PRO   68  12.86 +/- 3.33   1.637% *  0.2479% (0.13   0.02   0.02) =   0.019%
          HG12  ILE   19 - HD3   PRO   93  22.48 +/- 2.37   0.213% *  1.6060% (0.83   0.02   0.02) =   0.016%
          HG12  ILE   19 - HD3   PRO   68  13.86 +/- 3.06   1.125% *  0.2858% (0.15   0.02   0.02) =   0.015%
          QB    ALA  110 - HD3   PRO   68  17.62 +/- 4.41   0.782% *  0.2686% (0.14   0.02   0.02) =   0.010%
          HG    LEU   73 - HD3   PRO   93  17.54 +/- 2.58   0.651% *  0.3047% (0.16   0.02   0.02) =   0.009%
          QB    LEU   98 - HD3   PRO   68  14.92 +/- 2.11   0.734% *  0.1629% (0.08   0.02   0.02) =   0.006%
          HB2   LEU   80 - HD3   PRO   68  21.04 +/- 3.57   0.346% *  0.2929% (0.15   0.02   0.02) =   0.005%
          HG    LEU   80 - HD3   PRO   68  21.13 +/- 3.80   0.291% *  0.2586% (0.13   0.02   0.02) =   0.004%
          QB    ALA   12 - HD3   PRO   93  28.12 +/- 3.44   0.114% *  0.4837% (0.25   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   68  18.27 +/- 3.19   0.549% *  0.0861% (0.04   0.02   0.02) =   0.002%
          HG    LEU   73 - HD3   PRO   68  14.13 +/- 1.78   0.869% *  0.0542% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.35:
          QG2   ILE   89 - HB    THR   94   3.76 +/- 1.88 100.000% *100.0000% (0.28   2.00   5.35) = 100.000%  kept
    Distance limit 3.39 A violated in 3 structures by 0.71 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 2.0, residual support = 5.34:
          QD1   ILE   89 - HB    THR   94   3.75 +/- 2.08  71.931% * 98.9959% (0.77   2.00   5.35) =  99.762%  kept
          QG2   VAL   83 - HB    THR   94   7.36 +/- 1.70  20.212% *  0.7366% (0.57   0.02   0.02) =   0.209%  kept
          QD2   LEU   31 - HB    THR   94  13.62 +/- 2.72   7.857% *  0.2674% (0.21   0.02   0.02) =   0.029%
    Distance limit 3.73 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.3:
        T HB2   PHE   45 - HB    THR   94   2.89 +/- 0.61  96.229% * 99.8423% (0.81 10.00   2.96  27.34) =  99.996%  kept
          QE    LYS+ 111 - HB    THR   94  12.17 +/- 2.15   2.698% *  0.1032% (0.83  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - HB    THR   94  15.79 +/- 2.44   1.073% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  13.08 +/- 1.93 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 10.05 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 = 24.8:
      O   HN    THR   94 - HB    THR   94   2.85 +/- 0.35  95.566% * 99.8964% (0.83  10.0   3.08  24.83) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.09 +/- 1.98   2.231% *  0.0727% (0.61   1.0   0.02   0.02) =   0.002%
          HN    SER   85 - HB    THR   94  10.97 +/- 1.79   2.204% *  0.0309% (0.26   1.0   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.805, support = 3.41, residual support = 27.0:
          HN    PHE   45 - HB    THR   94   3.77 +/- 0.48  90.666% * 90.4723% (0.81   3.44  27.34) =  98.927%  kept
          HN    ALA  110 - HB    THR   94   9.39 +/- 2.13   9.334% *  9.5277% (0.67   0.44   0.02) =   1.073%  kept
    Distance limit 4.29 A violated in 0 structures by 0.03 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   5.40 +/- 0.81 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.55 A violated in 14 structures by 1.86 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.31, residual support = 14.6:
          HN    PHE   95 - QG2   THR   94   2.49 +/- 0.43 100.000% *100.0000% (0.97   4.31  14.56) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.02 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    TRP   87 - HA    PHE   95  12.10 +/- 2.70  24.296% * 25.3593% (0.76   0.02   0.02) =  35.522%  kept
          HA    LEU  104 - HA    PHE   95  12.07 +/- 0.67  21.311% * 27.7167% (0.84   0.02   0.02) =  34.054%  kept
          HA    PHE   59 - HA    PHE   95  10.52 +/- 3.99  37.319% *  8.2742% (0.25   0.02   0.02) =  17.803%  kept
          HA    ASP-  86 - HA    PHE   95  15.21 +/- 2.21  11.286% * 12.4539% (0.38   0.02   0.02) =   8.104%  kept
          HA    GLU-  14 - HA    PHE   95  22.96 +/- 2.77   3.604% * 14.8769% (0.45   0.02   0.02) =   3.091%  kept
          HA    ALA   12 - HA    PHE   95  27.81 +/- 3.59   2.184% * 11.3190% (0.34   0.02   0.02) =   1.425%  kept
    Distance limit 3.58 A violated in 19 structures by 4.78 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.4:
          QD    PHE   95 - HA    PHE   95   2.45 +/- 0.49  97.593% * 99.8140% (0.87   3.44  73.44) =  99.995%  kept
          HN    ALA   47 - HA    PHE   95  10.01 +/- 1.18   2.407% *  0.1860% (0.28   0.02   0.38) =   0.005%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.22 +/- 0.04  99.167% * 99.9753% (0.80  10.0   3.99  11.96) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.56 +/- 1.38   0.833% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.32, residual support = 73.4:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.32  73.44) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.4:
      O   QD    PHE   95 - HB2   PHE   95   2.45 +/- 0.17  98.839% * 99.9680% (0.87  10.0   3.00  73.44) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.40 +/- 1.27   1.161% *  0.0320% (0.28   1.0   0.02   0.38) =   0.000%
    Distance limit 3.46 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 = 73.4:
      O   QD    PHE   95 - HB3   PHE   95   2.58 +/- 0.19  97.920% * 99.9680% (0.87  10.0   3.31  73.44) =  99.999%  kept
          HN    ALA   47 - HB3   PHE   95  11.19 +/- 1.50   2.080% *  0.0320% (0.28   1.0   0.02   0.38) =   0.001%
    Distance limit 3.32 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 = 73.4:
      O   HN    PHE   95 - HB3   PHE   95   3.56 +/- 0.31 100.000% *100.0000% (0.53  10.0   4.19  73.44) = 100.000%  kept
    Distance limit 3.88 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 = 73.4:
      O   HN    PHE   95 - HB2   PHE   95   2.61 +/- 0.27 100.000% *100.0000% (0.53  10.0   3.86  73.44) = 100.000%  kept
    Distance limit 3.61 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 = 2.07, residual support = 46.2:
          QG2   VAL  107 - HB3   PHE   95   3.91 +/- 0.52  67.876% * 90.9623% (0.84   2.09  46.61) =  99.208%  kept
          HG13  ILE  103 - HB3   PHE   95  10.01 +/- 1.03   5.400% *  6.2579% (0.38   0.32   0.02) =   0.543%  kept
          HG13  ILE  119 - HB3   PHE   95   9.43 +/- 3.80  18.127% *  0.4291% (0.41   0.02   0.02) =   0.125%  kept
          HG2   LYS+ 121 - HB3   PHE   95  13.69 +/- 5.29   4.158% *  1.0230% (0.98   0.02   0.02) =   0.068%
          QB    ALA   20 - HB3   PHE   95  14.24 +/- 2.82   3.192% *  0.9360% (0.90   0.02   0.02) =   0.048%
          HB3   LEU   31 - HB3   PHE   95  16.36 +/- 2.39   1.247% *  0.3917% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 1.22, residual support = 4.38:
          QD2   LEU  115 - HB3   PHE   95   7.25 +/- 2.60  29.220% * 44.3298% (0.90   1.23   7.63) =  52.817%  kept
          QD1   LEU   63 - HB3   PHE   95   8.40 +/- 2.87  24.446% * 32.1598% (0.57   1.42   0.93) =  32.055%  kept
          QD1   LEU   73 - HB3   PHE   95  10.13 +/- 3.31  17.699% * 18.4496% (0.57   0.81   0.39) =  13.315%  kept
          QG2   ILE   89 - HB3   PHE   95   8.83 +/- 1.36  10.708% *  2.9354% (0.15   0.47   0.02) =   1.282%  kept
          QD1   LEU  104 - HB3   PHE   95   9.21 +/- 1.11   9.470% *  0.8023% (1.00   0.02   0.02) =   0.310%  kept
          QG1   VAL   83 - HB3   PHE   95  12.54 +/- 2.14   5.195% *  0.5826% (0.73   0.02   0.02) =   0.123%  kept
          QD2   LEU   80 - HB3   PHE   95  13.83 +/- 2.37   3.262% *  0.7406% (0.92   0.02   0.02) =   0.099%
    Distance limit 3.76 A violated in 7 structures by 1.26 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.658, support = 0.721, residual support = 0.766:
          QG1   VAL   42 - HB3   PHE   95   4.61 +/- 1.56  61.696% * 35.8061% (0.65   0.75   0.96) =  69.244%  kept
          QB    ALA   47 - HB3   PHE   95  10.79 +/- 2.06  18.881% * 34.3748% (0.76   0.61   0.38) =  20.344%  kept
          QB    ALA   64 - HB3   PHE   95   8.54 +/- 0.91  11.185% * 29.3635% (0.53   0.76   0.24) =  10.294%  kept
          HG2   LYS+ 112 - HB3   PHE   95  11.52 +/- 1.95   8.238% *  0.4556% (0.31   0.02   0.02) =   0.118%  kept
    Distance limit 3.78 A violated in 2 structures by 0.57 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.342, support = 4.02, residual support = 46.5:
          QG2   VAL  107 - HB2   PHE   95   2.75 +/- 0.62  85.512% * 94.8543% (0.34   4.03  46.61) =  99.825%  kept
          HG13  ILE  119 - HB2   PHE   95   9.90 +/- 3.83   7.993% *  1.2374% (0.90   0.02   0.02) =   0.122%  kept
          HG2   LYS+ 121 - HB2   PHE   95  14.17 +/- 5.18   1.727% *  0.7811% (0.57   0.02   0.02) =   0.017%
          QB    ALA   20 - HB2   PHE   95  15.09 +/- 2.75   0.880% *  1.2737% (0.92   0.02   0.02) =   0.014%
          HD3   LYS+ 112 - HB2   PHE   95  11.83 +/- 2.28   2.282% *  0.3836% (0.28   0.02   0.02) =   0.011%
          HB3   LEU   31 - HB2   PHE   95  17.22 +/- 2.54   0.613% *  1.1968% (0.87   0.02   0.02) =   0.009%
          QG1   VAL   24 - HB2   PHE   95  16.01 +/- 2.96   0.992% *  0.2730% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 4.25, residual support = 46.6:
        T HB    VAL  107 - HB2   PHE   95   2.35 +/- 0.60  88.146% * 99.2006% (0.80 10.00   4.26  46.61) =  99.959%  kept
          HB3   PHE   45 - HB2   PHE   95   7.90 +/- 1.57   6.223% *  0.5315% (0.38  1.00   0.23   1.89) =   0.038%
          QE    LYS+ 112 - HB2   PHE   95  10.58 +/- 2.42   3.724% *  0.0465% (0.38  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HB2   PHE   95  15.05 +/- 2.95   1.342% *  0.0851% (0.69  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   PHE   95  20.73 +/- 1.57   0.224% *  0.1172% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.24 +/- 1.00   0.342% *  0.0191% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 0.746, residual support = 5.32:
          QD1   ILE   89 - QG2   THR   94   2.86 +/- 2.13  71.482% * 97.3666% (0.92   0.75   5.35) =  99.434%  kept
          QG2   VAL   83 - QG2   THR   94   6.37 +/- 1.56  15.911% *  1.9321% (0.69   0.02   0.02) =   0.439%  kept
          QD2   LEU   31 - QG2   THR   94  11.27 +/- 2.74  12.607% *  0.7014% (0.25   0.02   0.02) =   0.126%  kept
    Distance limit 3.17 A violated in 3 structures by 0.52 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.13:
        T HA    LYS+ 106 - HA    MET   96   3.13 +/- 1.08 100.000% *100.0000% (0.97 10.00   1.07   2.13) = 100.000%  kept
    Distance limit 3.40 A violated in 3 structures by 0.32 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.2:
      O   HN    PHE   97 - HA    MET   96   2.25 +/- 0.06  98.692% * 99.8692% (0.88  10.0   6.07  44.17) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  12.75 +/- 2.27   0.672% *  0.0999% (0.88   1.0   0.02   0.16) =   0.001%
          HN    ASP- 113 - HA    MET   96  15.17 +/- 2.26   0.636% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.4:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.39) = 100.000%  kept
    Distance limit 3.80 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 = 1.91, residual support = 7.93:
        T QE    PHE   45 - HB2   MET   96   4.63 +/- 2.28  66.512% * 98.2436% (0.49 10.00   1.91   7.96) =  99.696%  kept
        T HZ    PHE   72 - HB2   MET   96  10.87 +/- 2.35  10.299% *  1.6115% (0.76 10.00   0.02   0.02) =   0.253%  kept
          QD    PHE   72 - HB2   MET   96   8.61 +/- 1.51  23.189% *  0.1448% (0.69  1.00   0.02   0.02) =   0.051%
    Distance limit 3.87 A violated in 6 structures by 1.22 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.2:
          HN    PHE   97 - HB2   MET   96   4.29 +/- 0.31  94.543% * 99.4517% (0.92   6.07  44.17) =  99.987%  kept
          HN    LEU  115 - HB2   MET   96  14.14 +/- 1.82   3.035% *  0.3276% (0.92   0.02   0.16) =   0.011%
          HN    ALA   12 - HB2   MET   96  27.67 +/- 4.73   0.575% *  0.1727% (0.49   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   MET   96  17.26 +/- 2.63   1.848% *  0.0480% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.31 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   2.67 +/- 0.27 100.000% *100.0000% (0.65  10.0   4.03 115.39) = 100.000%  kept
    Distance limit 3.78 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 = 0.761, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.95 +/- 2.59  34.491% * 81.6578% (0.99   0.02   0.02) =  70.096%  kept
          QD    PHE   72 - HB3   MET   96   8.57 +/- 1.95  65.509% * 18.3422% (0.22   0.02   0.02) =  29.904%  kept
    Distance limit 3.72 A violated in 19 structures by 4.47 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.96, residual support = 115.4:
      O   HN    MET   96 - HB3   MET   96   2.87 +/- 0.34 100.000% *100.0000% (0.65  10.0   3.96 115.39) = 100.000%  kept
    Distance limit 3.71 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 = 0.753, support = 1.86, residual support = 14.0:
          QG1   VAL   43 - HB2   MET   96   3.28 +/- 1.18  67.784% * 64.1550% (0.73   2.00  15.71) =  89.007%  kept
          QG2   THR   46 - HB2   MET   96   9.40 +/- 1.65  15.937% * 33.0416% (0.98   0.76   0.14) =  10.777%  kept
          QD2   LEU  104 - HB2   MET   96   8.17 +/- 1.08   7.577% *  0.7074% (0.80   0.02   0.02) =   0.110%  kept
          QG1   VAL   41 - HB2   MET   96   8.91 +/- 1.84   5.457% *  0.4648% (0.53   0.02   0.02) =   0.052%
          QG2   VAL   18 - HB2   MET   96  12.33 +/- 3.63   1.953% *  0.8156% (0.92   0.02   0.02) =   0.033%
          QD1   ILE   19 - HB2   MET   96  14.04 +/- 2.24   1.292% *  0.8156% (0.92   0.02   0.02) =   0.022%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.755, support = 1.33, residual support = 3.71:
          QD1   ILE   89 - HB2   MET   96   5.45 +/- 3.30  52.847% * 54.4141% (0.69   1.50   4.94) =  71.347%  kept
          QG2   VAL   83 - HB2   MET   96   8.02 +/- 2.88  25.412% * 44.6109% (0.92   0.92   0.67) =  28.127%  kept
          QD2   LEU   31 - HB2   MET   96  10.41 +/- 3.35  21.742% *  0.9750% (0.92   0.02   0.02) =   0.526%  kept
    Distance limit 3.98 A violated in 4 structures by 0.78 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.681, support = 1.49, residual support = 4.85:
        T QD1   ILE   89 - HB3   MET   96   5.86 +/- 2.88  63.736% * 96.0598% (0.69 10.00   1.50   4.94) =  97.719%  kept
          QG2   VAL   83 - HB3   MET   96   8.26 +/- 2.71  36.264% *  3.9402% (0.41  1.00   1.03   0.67) =   2.281%  kept
    Distance limit 3.97 A violated in 5 structures by 1.50 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.922, support = 5.59, residual support = 44.1:
          HN    PHE   97 - HG2   MET   96   3.12 +/- 0.75  91.648% * 96.7319% (0.92   5.59  44.17) =  99.895%  kept
          HN    LEU  115 - HB2   PRO   52  11.91 +/- 3.82   3.420% *  2.5190% (0.27   0.50   0.02) =   0.097%
          HN    LEU  115 - HG2   MET   96  14.94 +/- 2.32   1.400% *  0.3459% (0.92   0.02   0.16) =   0.005%
          HN    ASN   35 - HG2   MET   96  17.29 +/- 3.46   1.654% *  0.0507% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HG2   MET   96  28.49 +/- 5.50   0.419% *  0.1824% (0.49   0.02   0.02) =   0.001%
          HN    PHE   97 - HB2   PRO   52  19.53 +/- 3.61   0.640% *  0.1016% (0.27   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   PRO   52  34.86 +/- 6.53   0.420% *  0.0536% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  29.47 +/- 4.51   0.399% *  0.0149% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.02, residual support = 44.2:
          HN    PHE   97 - HG3   MET   96   3.53 +/- 0.57  97.335% * 99.5668% (0.54   6.02  44.17) =  99.993%  kept
          HN    LEU  115 - HG3   MET   96  15.36 +/- 2.06   1.583% *  0.3307% (0.54   0.02   0.16) =   0.005%
          HN    ASP- 113 - HG3   MET   96  17.73 +/- 2.23   1.082% *  0.1025% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.603, support = 1.87, residual support = 5.11:
          HG13  ILE  103 - HG2   MET   96   3.69 +/- 0.85  46.075% * 30.0693% (0.25   2.41   7.10) =  51.829%  kept
          QG2   THR   94 - HG2   MET   96   5.52 +/- 0.75  19.634% * 64.9634% (0.99   1.31   3.01) =  47.716%  kept
          HB3   LYS+ 112 - HB2   PRO   52  10.51 +/- 5.27  14.092% *  0.2884% (0.29   0.02   0.02) =   0.152%  kept
          HD2   LYS+ 112 - HB2   PRO   52  10.63 +/- 4.59  10.874% *  0.2553% (0.25   0.02   0.02) =   0.104%  kept
          QG2   THR   94 - HB2   PRO   52  12.93 +/- 3.54   1.867% *  1.2616% (0.29   0.09   0.02) =   0.088%
          HB3   LYS+ 112 - HG2   MET   96  17.54 +/- 2.67   1.075% *  0.9819% (0.98   0.02   0.02) =   0.039%
          HB3   LEU   71 - HG2   MET   96  15.27 +/- 2.58   1.201% *  0.8021% (0.80   0.02   0.02) =   0.036%
          HD2   LYS+ 112 - HG2   MET   96  18.27 +/- 2.60   0.661% *  0.8690% (0.87   0.02   0.02) =   0.021%
          HG3   LYS+ 111 - HG2   MET   96  16.82 +/- 2.57   1.037% *  0.1546% (0.15   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HB2   PRO   52  12.95 +/- 6.45   2.953% *  0.0454% (0.05   0.02   0.02) =   0.005%
          HB3   LEU   71 - HB2   PRO   52  24.06 +/- 3.94   0.293% *  0.2356% (0.24   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB2   PRO   52  22.78 +/- 3.53   0.238% *  0.0734% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.896, support = 2.66, residual support = 6.98:
          QG2   ILE  103 - HG2   MET   96   3.56 +/- 0.53  42.847% * 65.4858% (1.00   2.92   7.10) =  78.682%  kept
          QD1   ILE  103 - HG2   MET   96   3.95 +/- 1.31  35.899% * 19.5417% (0.49   1.79   7.10) =  19.672%  kept
          QD2   LEU   40 - HG2   MET   96   8.84 +/- 2.61   4.372% * 12.7646% (0.95   0.60   0.02) =   1.565%  kept
          QD1   LEU   67 - HG2   MET   96  11.99 +/- 2.17   1.669% *  0.4336% (0.97   0.02   0.02) =   0.020%
          HB    VAL   75 - HG2   MET   96  10.55 +/- 2.18   3.154% *  0.1686% (0.38   0.02   0.02) =   0.015%
          HG3   LYS+  74 - HG2   MET   96  14.81 +/- 1.96   1.018% *  0.4453% (0.99   0.02   0.02) =   0.013%
          QD2   LEU   71 - HG2   MET   96  13.06 +/- 2.04   1.267% *  0.2725% (0.61   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HB2   PRO   52  18.22 +/- 3.78   1.749% *  0.1308% (0.29   0.02   0.02) =   0.006%
          QG2   ILE  119 - HB2   PRO   52  11.53 +/- 2.82   3.861% *  0.0407% (0.09   0.02   0.02) =   0.004%
          QG2   ILE  119 - HG2   MET   96  14.62 +/- 3.43   0.806% *  0.1387% (0.31   0.02   0.02) =   0.003%
          QD1   LEU   67 - HB2   PRO   52  16.39 +/- 2.91   0.856% *  0.1274% (0.28   0.02   0.02) =   0.003%
          QD2   LEU   40 - HB2   PRO   52  18.71 +/- 3.62   0.613% *  0.1248% (0.28   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   PRO   52  18.56 +/- 3.01   0.441% *  0.1317% (0.29   0.02   0.02) =   0.002%
          HB    VAL   75 - HB2   PRO   52  16.35 +/- 2.31   0.684% *  0.0495% (0.11   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   PRO   52  20.17 +/- 2.96   0.417% *  0.0800% (0.18   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   PRO   52  19.57 +/- 3.46   0.346% *  0.0642% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.247, support = 0.522, residual support = 0.426:
          QB    LEU   98 - HG3   MET   96   4.48 +/- 0.97  32.647% * 15.0185% (0.14   0.73   0.37) =  56.201%  kept
          HG    LEU   98 - HG3   MET   96   5.71 +/- 1.42  21.395% *  9.0410% (0.25   0.24   0.37) =  22.172%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.60 +/- 1.50   2.146% * 42.3996% (0.59   0.47   0.13) =  10.430%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.41 +/- 2.06  26.494% *  1.8505% (0.61   0.02   2.13) =   5.620%  kept
          HB3   PRO   93 - HG3   MET   96  12.82 +/- 0.91   1.091% * 17.5054% (0.34   0.33   0.02) =   2.189%  kept
          HB3   ASP-  44 - HG3   MET   96   9.54 +/- 1.03   2.910% *  3.3371% (0.12   0.18   0.02) =   1.113%  kept
          HB    VAL   42 - HG3   MET   96   8.71 +/- 2.08   4.588% *  1.6633% (0.54   0.02   0.02) =   0.875%  kept
          HB3   LEU   73 - HG3   MET   96  11.32 +/- 2.64   3.028% *  1.7544% (0.57   0.02   0.02) =   0.609%  kept
          QB    ALA   84 - HG3   MET   96  11.08 +/- 2.30   2.893% *  0.9757% (0.32   0.02   0.02) =   0.324%  kept
          HG3   LYS+  65 - HG3   MET   96  17.31 +/- 3.49   1.064% *  1.6633% (0.54   0.02   0.02) =   0.203%  kept
          HG3   LYS+  33 - HG3   MET   96  17.21 +/- 3.49   0.613% *  1.5491% (0.51   0.02   0.02) =   0.109%  kept
          HB2   LYS+ 112 - HG3   MET   96  17.84 +/- 2.63   0.514% *  1.8382% (0.60   0.02   0.02) =   0.108%  kept
          QB    ALA   12 - HG3   MET   96  23.19 +/- 4.69   0.283% *  0.8315% (0.27   0.02   0.02) =   0.027%
          QB    ALA  124 - HG3   MET   96  20.71 +/- 4.17   0.334% *  0.5724% (0.19   0.02   0.02) =   0.022%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 1.77, residual support = 4.91:
          QG2   THR   94 - HG3   MET   96   5.58 +/- 0.70  31.515% * 62.2658% (0.60  1.00   1.31   3.01) =  52.883%  kept
          HG13  ILE  103 - HG3   MET   96   4.08 +/- 0.91  63.078% * 27.5473% (0.15  1.00   2.30   7.10) =  46.828%  kept
        T HD2   LYS+ 112 - HG3   MET   96  18.63 +/- 2.66   0.944% *  8.3287% (0.53 10.00   0.02   0.02) =   0.212%  kept
          HB3   LEU   71 - HG3   MET   96  14.93 +/- 3.01   1.862% *  0.7688% (0.49  1.00   0.02   0.02) =   0.039%
          HB3   LYS+ 112 - HG3   MET   96  17.88 +/- 2.68   1.324% *  0.9412% (0.59  1.00   0.02   0.02) =   0.034%
          HG3   LYS+ 111 - HG3   MET   96  17.19 +/- 2.49   1.277% *  0.1481% (0.09  1.00   0.02   0.02) =   0.005%
    Distance limit 3.81 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.536, support = 2.35, residual support = 6.93:
          QG2   ILE  103 - HG3   MET   96   4.06 +/- 1.07  40.619% * 67.2133% (0.61   2.64   7.10) =  75.735%  kept
          QD1   ILE  103 - HG3   MET   96   4.20 +/- 1.24  41.068% * 19.1383% (0.30   1.54   7.10) =  21.803%  kept
          QD2   LEU   40 - HG3   MET   96   8.76 +/- 2.75   7.092% * 11.9944% (0.57   0.50   0.02) =   2.360%  kept
          QD1   LEU   67 - HG3   MET   96  11.84 +/- 2.01   2.450% *  0.4917% (0.59   0.02   0.02) =   0.033%
          HG3   LYS+  74 - HG3   MET   96  14.40 +/- 1.95   1.910% *  0.5050% (0.60   0.02   0.02) =   0.027%
          HB    VAL   75 - HG3   MET   96  10.29 +/- 1.86   3.697% *  0.1912% (0.23   0.02   0.02) =   0.020%
          QD2   LEU   71 - HG3   MET   96  12.80 +/- 2.38   2.054% *  0.3090% (0.37   0.02   0.02) =   0.018%
          QG2   ILE  119 - HG3   MET   96  14.91 +/- 3.36   1.110% *  0.1572% (0.19   0.02   0.02) =   0.005%
    Distance limit 3.87 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.35, residual support = 10.6:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.02 100.000% *100.0000% (0.80  10.0   3.35  10.64) = 100.000%  kept
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.7, residual support = 62.2:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  98.422% * 99.8692% (0.90  10.0   4.70  62.23) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  14.74 +/- 1.98   0.907% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  17.35 +/- 2.48   0.671% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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   2.46 +/- 0.15  97.510% * 99.9164% (0.45  10.0 10.00   2.44  62.23) =  99.998%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.48 +/- 5.26   2.490% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.8, residual support = 58.7:
          HN    ASP- 105 - HB2   PHE   97   2.28 +/- 0.62  99.291% * 99.8983% (0.95   7.80  58.73) =  99.999%  kept
          HN    ALA   88 - HB2   PHE   97  16.48 +/- 3.18   0.709% *  0.1017% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.2:
      O   HN    PHE   97 - HB2   PHE   97   2.87 +/- 0.55  97.908% * 99.8692% (0.90  10.0   4.81  62.23) =  99.999%  kept
          HN    LEU  115 - HB2   PHE   97  14.32 +/- 2.55   1.120% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB2   PHE   97  16.86 +/- 2.75   0.973% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.932, support = 3.39, residual support = 44.8:
        T HB3   ASP- 105 - HB2   PHE   97   3.60 +/- 0.93  47.273% * 53.5980% (0.99 10.00   3.84  58.73) =  70.410%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.25 +/- 1.33  23.854% * 43.3011% (0.80 10.00   2.34  11.78) =  28.704%  kept
          HG12  ILE  103 - HB2   PHE   97   5.88 +/- 1.11  14.213% *  1.3094% (0.20  1.00   2.45   2.45) =   0.517%  kept
          HB    ILE  103 - HB2   PHE   97   6.72 +/- 0.91   8.950% *  1.4606% (1.00  1.00   0.54   2.45) =   0.363%  kept
          HG3   PRO   68 - HB2   PHE   97  16.41 +/- 4.27   1.068% *  0.0540% (1.00  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HB2   PHE   97  16.74 +/- 2.47   0.851% *  0.0512% (0.95  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   PHE   97  19.69 +/- 2.88   0.570% *  0.0452% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PHE   97  22.12 +/- 3.15   0.369% *  0.0540% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  16.76 +/- 5.67   0.849% *  0.0222% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   PHE   97  18.45 +/- 2.04   0.349% *  0.0485% (0.90  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  17.41 +/- 4.33   0.629% *  0.0203% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.74 +/- 3.54   0.404% *  0.0222% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  16.11 +/- 2.81   0.621% *  0.0135% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.305, support = 4.53, residual support = 14.7:
        T HB2   LEU  104 - HB2   PHE   97   2.94 +/- 0.72  49.062% * 80.3767% (0.31 10.00   4.67  16.00) =  90.365%  kept
          QG2   ILE  103 - HB2   PHE   97   3.81 +/- 0.81  27.469% * 12.1037% (0.25  1.00   3.73   2.45) =   7.619%  kept
          QD2   LEU   40 - HB2   PHE   97   6.61 +/- 3.64  12.542% *  6.9294% (0.38  1.00   1.42   1.33) =   1.991%  kept
          QD1   ILE  119 - HB2   PHE   97  12.05 +/- 3.98   1.919% *  0.1580% (0.61  1.00   0.02   0.94) =   0.007%
          QD1   LEU   67 - HB2   PHE   97  11.27 +/- 3.26   3.046% *  0.0888% (0.34  1.00   0.02   0.02) =   0.006%
          HB    VAL   75 - HB2   PHE   97  12.62 +/- 1.95   1.064% *  0.2463% (0.95  1.00   0.02   0.02) =   0.006%
          QG2   VAL  108 - HB2   PHE   97   8.52 +/- 1.26   4.518% *  0.0515% (0.20  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HB2   PHE   97  16.70 +/- 2.08   0.380% *  0.0456% (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 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.323, support = 1.86, residual support = 6.0:
        T QD2   LEU   40 - HB3   PHE   97   6.33 +/- 3.74  19.324% * 72.6910% (0.36 10.00   1.10   1.33) =  58.662%  kept
          HB2   LEU  104 - HB3   PHE   97   3.18 +/- 0.76  42.363% * 17.5629% (0.29  1.00   3.24  16.00) =  31.072%  kept
          QG2   ILE  103 - HB3   PHE   97   4.15 +/- 0.86  27.299% *  8.9487% (0.24  1.00   2.04   2.45) =  10.202%  kept
          QD1   LEU   67 - HB3   PHE   97  11.16 +/- 3.24   3.721% *  0.1200% (0.32  1.00   0.02   0.02) =   0.019%
          QD1   ILE  119 - HB3   PHE   97  11.89 +/- 4.05   2.091% *  0.2134% (0.57  1.00   0.02   0.94) =   0.019%
          HB    VAL   75 - HB3   PHE   97  12.58 +/- 2.01   1.090% *  0.3327% (0.89  1.00   0.02   0.02) =   0.015%
          QG2   VAL  108 - HB3   PHE   97   8.58 +/- 1.47   3.776% *  0.0696% (0.19  1.00   0.02   0.02) =   0.011%
          HG3   LYS+  74 - HB3   PHE   97  16.54 +/- 2.24   0.336% *  0.0616% (0.17  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.00 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   2.47 +/- 0.17  97.059% * 99.8821% (0.87  10.0 10.00   2.74  62.23) =  99.997%  kept
          HZ3   TRP   87 - HB3   PHE   97  11.75 +/- 5.47   2.725% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.003%
          HE3   TRP   49 - HB3   PHE   97  22.65 +/- 3.65   0.216% *  0.0241% (0.21   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 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.67, residual support = 58.7:
          HN    ASP- 105 - HB3   PHE   97   2.71 +/- 0.72  98.662% * 99.1080% (0.46   5.67  58.73) =  99.994%  kept
          HN    ALA   88 - HB3   PHE   97  16.61 +/- 3.42   0.751% *  0.6226% (0.82   0.02   0.02) =   0.005%
          HN    PHE   55 - HB3   PHE   97  20.33 +/- 3.54   0.586% *  0.2694% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.2:
      O   HN    PHE   97 - HB3   PHE   97   3.02 +/- 0.63  97.621% * 99.8692% (0.85  10.0   5.16  62.23) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  14.26 +/- 2.62   1.361% *  0.0999% (0.85   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   PHE   97  16.82 +/- 2.68   1.018% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.778, support = 1.95, residual support = 43.3:
          HB3   ASP- 105 - HB3   PHE   97   3.86 +/- 1.09  48.566% * 46.3163% (0.72  1.00   2.25  58.73) =  67.892%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.34 +/- 1.47  26.062% * 36.8555% (0.93  1.00   1.40  11.78) =  28.991%  kept
          HB    ILE  103 - HB3   PHE   97   7.08 +/- 0.78   7.199% * 12.0627% (0.65  1.00   0.65   2.45) =   2.621%  kept
        T HB3   PRO   58 - HB3   PHE   97  16.67 +/- 5.14  11.514% *  1.1988% (0.21 10.00   0.02   0.02) =   0.417%  kept
          HB    ILE   56 - HB3   PHE   97  17.19 +/- 4.52   1.135% *  0.4671% (0.82  1.00   0.02   0.02) =   0.016%
          HG3   PRO   68 - HB3   PHE   97  16.22 +/- 4.46   1.294% *  0.3483% (0.61  1.00   0.02   0.02) =   0.014%
          HB3   LYS+  38 - HB3   PHE   97  15.89 +/- 2.88   0.877% *  0.3910% (0.69  1.00   0.02   0.02) =   0.010%
          QB    LYS+  33 - HB3   PHE   97  16.71 +/- 2.23   0.678% *  0.4671% (0.82  1.00   0.02   0.02) =   0.010%
          QB    LYS+  81 - HB3   PHE   97  19.76 +/- 2.83   0.563% *  0.5197% (0.91  1.00   0.02   0.02) =   0.009%
          HB3   GLN   30 - HB3   PHE   97  15.88 +/- 2.08   0.738% *  0.2833% (0.50  1.00   0.02   0.02) =   0.006%
          HB3   GLN   90 - HB3   PHE   97  18.60 +/- 2.07   0.406% *  0.4971% (0.87  1.00   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HB3   PHE   97  21.80 +/- 3.44   0.506% *  0.3910% (0.69  1.00   0.02   0.02) =   0.006%
          HB2   MET   92 - HB3   PHE   97  17.59 +/- 1.41   0.462% *  0.2021% (0.36  1.00   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.305, support = 4.46, residual support = 29.0:
          HG12  ILE  103 - HA    LEU   98   3.22 +/- 0.38  68.152% * 56.6037% (0.25   4.97  31.57) =  87.732%  kept
          QB    LYS+ 102 - HA    LEU   98   5.61 +/- 0.30  14.454% * 20.3622% (0.98   0.46   1.75) =   6.693%  kept
          HB    VAL   41 - HA    LEU   98   8.04 +/- 3.00  12.460% * 19.3784% (0.38   1.13  22.23) =   5.491%  kept
          HB2   LEU   71 - HA    LEU   98  13.19 +/- 3.53   1.792% *  0.9106% (1.00   0.02   0.02) =   0.037%
          HB3   GLN   17 - HA    LEU   98  18.79 +/- 4.67   1.405% *  0.5535% (0.61   0.02   0.02) =   0.018%
          QB    LYS+  65 - HA    LEU   98  16.04 +/- 2.05   0.722% *  0.9126% (1.00   0.02   0.02) =   0.015%
          QB    LYS+  66 - HA    LEU   98  17.05 +/- 2.09   0.632% *  0.5167% (0.57   0.02   0.02) =   0.007%
          HG2   PRO   93 - HA    LEU   98  18.72 +/- 0.78   0.384% *  0.7623% (0.84   0.02   0.02) =   0.007%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.72, support = 2.94, residual support = 31.3:
          HA    ILE  103 - HA    LEU   98   1.93 +/- 0.12  92.815% * 76.1503% (0.73   2.96  31.57) =  98.590%  kept
          HA    LEU  104 - HA    LEU   98   5.18 +/- 0.33   5.196% * 19.2786% (0.28   1.96   9.79) =   1.397%  kept
          HA    ASP-  44 - HA    LEU   98  11.51 +/- 0.89   0.470% *  0.6361% (0.90   0.02   0.02) =   0.004%
          HA    ASP-  86 - HA    LEU   98  17.24 +/- 4.75   0.239% *  0.5150% (0.73   0.02   0.02) =   0.002%
          HA    THR   39 - HA    LEU   98  12.47 +/- 3.51   0.516% *  0.1972% (0.28   0.02   0.02) =   0.001%
          HA    SER   85 - HA    LEU   98  18.80 +/- 3.60   0.133% *  0.5924% (0.84   0.02   0.02) =   0.001%
          HB    THR   77 - HA    LEU   98  18.79 +/- 2.35   0.124% *  0.5924% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  14 - HA    LEU   98  21.94 +/- 4.40   0.129% *  0.4588% (0.65   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  28.56 +/- 6.17   0.070% *  0.6547% (0.92   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  26.55 +/- 5.30   0.083% *  0.5420% (0.76   0.02   0.02) =   0.001%
          HA    GLU-  79 - HA    LEU   98  20.10 +/- 3.13   0.135% *  0.2419% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  25.76 +/- 3.70   0.088% *  0.1404% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.0, residual support = 5.62:
          HN    ASP- 105 - HA    LEU   98   4.92 +/- 0.48  96.107% * 99.8020% (0.95   4.00   5.62) =  99.992%  kept
          HN    ALA   88 - HA    LEU   98  16.55 +/- 3.94   3.893% *  0.1980% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.01 A violated in 2 structures by 0.91 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.27, residual support = 17.7:
      O   HN    LYS+  99 - HA    LEU   98   2.27 +/- 0.06  96.166% * 99.7964% (0.80  10.0   4.27  17.74) =  99.997%  kept
          HE1   HIS  122 - HA    LEU   98  16.02 +/- 8.69   3.020% *  0.0905% (0.73   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HA    LEU   98  14.28 +/- 3.38   0.591% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.28 +/- 4.98   0.223% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 3.59, residual support = 9.78:
          HN    LEU  104 - HA    LEU   98   2.95 +/- 0.39  98.471% * 99.6355% (0.92   3.59   9.79) =  99.994%  kept
          HN    PHE   72 - HA    LEU   98  12.94 +/- 1.95   1.529% *  0.3645% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.98, residual support = 75.5:
      O   HN    LEU   98 - HA    LEU   98   2.92 +/- 0.03 100.000% *100.0000% (0.98  10.0   4.98  75.52) = 100.000%  kept
    Distance limit 3.67 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 = 0.486, support = 3.28, residual support = 26.3:
        T HB    VAL   41 - QB    LEU   98   5.69 +/- 2.77  20.707% * 66.5930% (0.42 10.00   2.82  22.23) =  53.532%  kept
          HG12  ILE  103 - QB    LEU   98   2.46 +/- 0.64  62.639% * 17.7580% (0.56  1.00   4.01  31.57) =  43.182%  kept
          HB    ILE  103 - QB    LEU   98   4.68 +/- 0.70   9.143% *  7.0842% (0.60  1.00   1.51  31.57) =   2.515%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.08 +/- 0.83   2.927% *  5.2080% (0.27 10.00   0.25   0.02) =   0.592%  kept
          HB3   ASP- 105 - QB    LEU   98   8.12 +/- 0.66   1.896% *  2.1124% (0.53  1.00   0.51   5.62) =   0.155%  kept
        T QB    LYS+  33 - QB    LEU   98  12.29 +/- 2.11   0.710% *  0.6659% (0.42 10.00   0.02   0.02) =   0.018%
          HG3   PRO   68 - QB    LEU   98  15.72 +/- 2.35   0.354% *  0.0993% (0.63  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QB    LEU   98  20.90 +/- 3.03   0.227% *  0.1227% (0.78  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  18.95 +/- 4.37   0.198% *  0.1227% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QB    LEU   98  16.66 +/- 2.04   0.372% *  0.0562% (0.36  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QB    LEU   98  16.61 +/- 2.52   0.352% *  0.0467% (0.30  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QB    LEU   98  22.16 +/- 2.58   0.155% *  0.0885% (0.56  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  14.86 +/- 1.58   0.321% *  0.0422% (0.27  1.00   0.02   0.02) =   0.001%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 3.88, residual support = 17.7:
          HN    LYS+  99 - QB    LEU   98   3.29 +/- 0.37  88.650% * 97.3745% (0.27   3.88  17.74) =  99.906%  kept
          HN    ASN   35 - QB    LEU   98  11.77 +/- 3.15   3.768% *  1.3585% (0.72   0.02   0.02) =   0.059%
          HE1   HIS  122 - QB    LEU   98  14.87 +/- 6.96   5.449% *  0.4056% (0.22   0.02   0.02) =   0.026%
          HN    ALA   12 - QB    LEU   98  23.02 +/- 5.28   0.779% *  0.6104% (0.33   0.02   0.02) =   0.006%
          HN    GLU-  14 - QB    LEU   98  18.94 +/- 4.59   1.354% *  0.2510% (0.13   0.02   0.02) =   0.004%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.91, residual support = 22.2:
          HN    VAL   41 - QB    LEU   98   5.70 +/- 2.82 100.000% *100.0000% (0.85   2.91  22.23) = 100.000%  kept
    Distance limit 4.07 A violated in 5 structures by 1.76 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.79, residual support = 75.5:
      O   HN    LEU   98 - QB    LEU   98   2.78 +/- 0.36 100.000% *100.0000% (0.85  10.0   4.79  75.52) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 75.5:
      O   HA    LEU   98 - HG    LEU   98   3.30 +/- 0.52 100.000% *100.0000% (0.69  10.0   4.04  75.52) = 100.000%  kept
    Distance limit 4.09 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 = 75.5:
          HN    LEU   98 - HG    LEU   98   3.55 +/- 0.96 100.000% *100.0000% (0.98   3.69  75.52) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.362, support = 3.62, residual support = 26.8:
        T HA    ILE  103 - QD1   LEU   98   3.01 +/- 0.47  78.706% * 26.9186% (0.25 10.00   4.14  31.57) =  78.124%  kept
        T HA    LEU  104 - QD1   LEU   98   6.51 +/- 0.51   8.161% * 72.5926% (0.76 10.00   1.76   9.79) =  21.847%  kept
          HA    ASP-  44 - QD1   LEU   98   9.31 +/- 2.02   7.050% *  0.0444% (0.41  1.00   0.02   0.02) =   0.012%
          HA    ASP-  86 - QD1   LEU   98  12.63 +/- 4.01   1.907% *  0.1077% (1.00  1.00   0.02   0.02) =   0.008%
          HA    GLU-  14 - QD1   LEU   98  18.27 +/- 4.14   1.078% *  0.1077% (1.00  1.00   0.02   0.02) =   0.004%
          HA    ALA   12 - QD1   LEU   98  22.07 +/- 4.84   0.479% *  0.1070% (0.99  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QD1   LEU   98  14.11 +/- 3.23   1.217% *  0.0368% (0.34  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QD1   LEU   98  14.76 +/- 2.49   1.053% *  0.0368% (0.34  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   LEU   98  23.76 +/- 5.40   0.349% *  0.0484% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.88 +/- 4.17  31.683% * 33.8723% (0.84   0.02   0.02) =  39.960%  kept
          QD    PHE   59 - QD1   LEU   98  13.49 +/- 3.07  25.137% * 33.8723% (0.84   0.02   0.02) =  31.704%  kept
          HE21  GLN   30 - QD1   LEU   98  11.98 +/- 2.74  30.538% * 19.7390% (0.49   0.02   0.02) =  22.445%  kept
          HH2   TRP   49 - QD1   LEU   98  19.08 +/- 3.44  12.642% * 12.5164% (0.31   0.02   0.02) =   5.892%  kept
    Distance limit 3.63 A violated in 20 structures by 5.62 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.28, residual support = 18.8:
        T QD1   LEU  104 - HB2   LYS+  99   2.55 +/- 0.47  94.163% * 98.4796% (0.69 10.00   3.28  18.80) =  99.985%  kept
        T QD1   LEU   73 - HB2   LYS+  99  11.54 +/- 2.71   2.271% *  0.2212% (0.15 10.00   0.02   0.02) =   0.005%
        T QG2   ILE   89 - HB2   LYS+  99  16.00 +/- 2.22   0.569% *  0.8117% (0.57 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   63 - HB2   LYS+  99  13.83 +/- 2.74   0.762% *  0.2212% (0.15 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   LYS+  99  16.22 +/- 3.48   1.098% *  0.1430% (1.00  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   LYS+  99  16.10 +/- 2.67   0.623% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  18.11 +/- 3.25   0.513% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.3, residual support = 9.19:
        T QD2   LEU   40 - HB2   LYS+  99   5.57 +/- 4.94  51.946% * 91.6184% (0.95 10.00   2.33   9.48) =  96.696%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.71 +/- 0.71  20.675% *  6.4620% (1.00  1.00   1.34   0.48) =   2.715%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.62 +/- 1.13  17.712% *  1.6051% (0.49  1.00   0.68   0.48) =   0.578%  kept
          QD2   LEU   71 - HB2   LYS+  99  11.36 +/- 3.41   3.371% *  0.0587% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HB2   LYS+  99  12.32 +/- 3.29   2.022% *  0.0935% (0.97  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB2   LYS+  99  18.71 +/- 2.55   0.762% *  0.0960% (0.99  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  15.96 +/- 4.80   2.180% *  0.0299% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  99  15.71 +/- 2.01   1.333% *  0.0363% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 1 structures by 0.28 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.79, residual support = 173.7:
      O   HN    LYS+  99 - HB2   LYS+  99   3.10 +/- 0.31  91.959% * 99.4797% (0.31  10.0   4.80 173.76) =  99.987%  kept
          HN    ASN   35 - HB2   LYS+  99  13.49 +/- 3.56   2.632% *  0.2692% (0.84   1.0   0.02   0.02) =   0.008%
          HE1   HIS  122 - HB2   LYS+  99  15.73 +/- 9.31   4.058% *  0.0804% (0.25   1.0   0.02   0.02) =   0.004%
          HN    ALA   12 - HB2   LYS+  99  25.96 +/- 6.36   0.709% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   LYS+  99  21.44 +/- 5.24   0.642% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.23, residual support = 173.7:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.02  92.495% * 99.7964% (0.80  10.0   5.23 173.76) =  99.994%  kept
          HE1   HIS  122 - HA    LYS+  99  16.56 +/- 8.84   3.798% *  0.0905% (0.73   1.0   0.02   0.02) =   0.004%
          HN    ASN   35 - HA    LYS+  99  11.64 +/- 3.45   2.868% *  0.0425% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    LYS+  99  20.02 +/- 5.28   0.839% *  0.0706% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.0:
      O   HN    GLU- 100 - HA    LYS+  99   2.22 +/- 0.06 100.000% *100.0000% (0.84  10.0   6.83  39.00) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.823, support = 5.13, residual support = 184.4:
      O   QE    LYS+  99 - HG2   LYS+  99   2.68 +/- 0.58  40.997% * 79.1619% (0.99  10.0   5.29 173.76) =  77.066%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.49 +/- 0.49  46.876% * 20.5905% (0.26  10.0   4.58 220.08) =  22.920%  kept
          QE    LYS+  38 - HG2   LYS+  99   9.74 +/- 4.98   4.760% *  0.0756% (0.95   1.0   0.02   0.02) =   0.009%
          QE    LYS+ 102 - HG2   LYS+  99   9.37 +/- 1.23   1.721% *  0.0610% (0.76   1.0   0.02   1.40) =   0.002%
          QE    LYS+  99 - HG2   LYS+  38  10.19 +/- 5.44   2.909% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   8.94 +/- 0.77   1.086% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  38  15.87 +/- 5.68   1.011% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  17.07 +/- 3.14   0.244% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.99 +/- 2.96   0.227% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  16.95 +/- 1.53   0.170% *  0.0082% (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 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.04, residual support = 173.4:
      O T HA    LYS+  99 - HG2   LYS+  99   2.68 +/- 0.41  54.345% * 98.1967% (0.84  10.0 10.00   7.05 173.76) =  99.808%  kept
          HA    LEU   40 - HG2   LYS+  99   6.95 +/- 4.71  10.388% *  0.8357% (0.57   1.0  1.00   0.25   9.48) =   0.162%  kept
          HA    ASN   35 - HG2   LYS+  38   4.59 +/- 1.59  26.649% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.015%
        T HA    LYS+  99 - HG2   LYS+  38  11.21 +/- 4.65   1.451% *  0.2676% (0.23   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASN   35 - HG2   LYS+  99  11.15 +/- 4.37   2.148% *  0.1112% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - HG2   LYS+  38   7.86 +/- 0.40   2.145% *  0.0181% (0.15   1.0  1.00   0.02   0.76) =   0.001%
          HA    LEU  123 - HG2   LYS+  99  21.88 +/- 8.40   0.259% *  0.1173% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   LYS+  99  22.40 +/- 6.30   0.440% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.75 +/- 4.55   0.343% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.92 +/- 3.79   0.106% *  0.1135% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  21.43 +/- 3.80   0.194% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  14.11 +/- 3.06   0.652% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  25.54 +/- 8.11   0.152% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  17.48 +/- 3.53   0.366% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.81 +/- 2.64   0.077% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  23.35 +/- 4.46   0.173% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.63 +/- 3.99   0.071% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  29.86 +/- 2.84   0.042% *  0.0156% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.118, support = 4.73, residual support = 17.6:
          HA    SER   37 - HA    LYS+  38   5.21 +/- 0.05  26.013% * 42.9277% (0.05  1.00   5.54  20.73) =  84.814%  kept
          HA    LEU   40 - HA    LYS+  38   6.11 +/- 0.22  16.355% *  4.5840% (0.05  1.00   0.56   0.76) =   5.694%  kept
          HA    LEU   40 - HA    GLU- 100   8.11 +/- 4.28  16.834% *  2.6863% (0.80  1.00   0.02   0.02) =   3.435%  kept
          HA    SER   13 - HA    GLU- 100  21.78 +/- 6.79   6.732% *  3.1735% (0.95  1.00   0.02   0.02) =   1.623%  kept
          HA    SER   37 - HA    GLU- 100  12.42 +/- 5.16   7.628% *  2.5638% (0.76  1.00   0.02   0.02) =   1.485%  kept
        T HA    PRO   58 - HA    GLU- 100  23.60 +/- 3.66   0.513% * 30.9686% (0.92 10.00   0.02   0.02) =   1.207%  kept
          HA    GLN   17 - HA    GLU- 100  18.11 +/- 5.81   2.866% *  2.5638% (0.76  1.00   0.02   0.02) =   0.558%  kept
          HA    GLU-  15 - HA    GLU- 100  17.45 +/- 4.95   2.214% *  3.1735% (0.95  1.00   0.02   0.02) =   0.534%  kept
          HA    VAL   42 - HA    GLU- 100  11.12 +/- 1.83   3.057% *  0.7469% (0.22  1.00   0.02   0.02) =   0.173%  kept
          HA    THR   46 - HA    GLU- 100  22.79 +/- 2.89   0.761% *  2.8022% (0.84  1.00   0.02   0.02) =   0.162%  kept
          HA    GLU-  15 - HA    LYS+  38  12.76 +/- 3.25   7.423% *  0.1918% (0.06  1.00   0.02   0.02) =   0.108%  kept
        T HA    PRO   58 - HA    LYS+  38  21.81 +/- 3.88   0.688% *  1.8713% (0.06 10.00   0.02   0.02) =   0.098%
          HA    GLN   17 - HA    LYS+  38  14.23 +/- 3.03   3.225% *  0.1549% (0.05  1.00   0.02   0.02) =   0.038%
          HA    LEU  123 - HA    GLU- 100  25.13 +/- 7.94   0.528% *  0.6639% (0.20  1.00   0.02   0.02) =   0.027%
          HA    SER   13 - HA    LYS+  38  16.69 +/- 3.81   1.484% *  0.1918% (0.06  1.00   0.02   0.02) =   0.022%
          HA    ILE   56 - HA    GLU- 100  27.15 +/- 3.55   0.261% *  0.4540% (0.14  1.00   0.02   0.02) =   0.009%
          HA    VAL   42 - HA    LYS+  38  12.26 +/- 0.54   2.028% *  0.0451% (0.01  1.00   0.02   0.02) =   0.007%
          HA    THR   46 - HA    LYS+  38  23.77 +/- 1.46   0.296% *  0.1693% (0.05  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HA    LYS+  38  24.18 +/- 7.78   0.793% *  0.0401% (0.01  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HA    LYS+  38  26.04 +/- 3.49   0.301% *  0.0274% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.86 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.11 +/- 0.58  90.709% * 99.9940% (1.00  10.0   3.86  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38  10.90 +/- 5.42   9.291% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.37, residual support = 75.5:
      O   HN    GLU- 100 - HA    GLU- 100   2.33 +/- 0.16  91.929% * 99.9940% (0.84  10.0   6.38  75.51) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   8.67 +/- 4.92   8.071% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 2.99 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 = 0.841, support = 0.02, residual support = 0.02:
        T HA    GLU-  29 - HB2   GLU- 100  16.60 +/- 4.10  11.335% * 27.8286% (0.98 10.00   0.02   0.02) =  35.316%  kept
        T HA    LYS+  33 - HB2   GLU- 100  14.51 +/- 3.55  10.176% * 28.3278% (1.00 10.00   0.02   0.02) =  32.275%  kept
        T HA    GLN   32 - HB2   GLU- 100  13.38 +/- 4.18  16.741% *  8.7627% (0.31 10.00   0.02   0.02) =  16.425%  kept
        T HA    GLN  116 - HB2   GLU- 100  24.88 +/- 3.67   2.228% * 23.7140% (0.84 10.00   0.02   0.02) =   5.914%  kept
          HA    VAL   70 - HB2   GLU- 100  14.84 +/- 4.58  14.890% *  2.3714% (0.84  1.00   0.02   0.02) =   3.953%  kept
          HA    VAL   18 - HB2   GLU- 100  18.40 +/- 4.02   6.544% *  2.7399% (0.97  1.00   0.02   0.02) =   2.007%  kept
          HB2   SER   37 - HB2   GLU- 100  12.61 +/- 4.89  21.204% *  0.5618% (0.20  1.00   0.02   0.02) =   1.334%  kept
          HA    SER   48 - HB2   GLU- 100  27.62 +/- 4.65   7.369% *  1.6074% (0.57  1.00   0.02   0.02) =   1.326%  kept
          HB2   SER   82 - HB2   GLU- 100  25.77 +/- 4.89   3.108% *  2.6208% (0.92  1.00   0.02   0.02) =   0.912%  kept
          HA    ALA   88 - HB2   GLU- 100  24.51 +/- 4.02   3.432% *  0.9684% (0.34  1.00   0.02   0.02) =   0.372%  kept
          HD2   PRO   52 - HB2   GLU- 100  29.93 +/- 4.53   2.973% *  0.4972% (0.18  1.00   0.02   0.02) =   0.166%  kept
    Distance limit 3.46 A violated in 20 structures by 5.51 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.452, support = 5.1, residual support = 37.9:
          HG2   LYS+  99 - HG2   GLU- 100   3.36 +/- 1.36  62.957% * 92.7433% (0.45   5.24  39.00) =  97.105%  kept
          HG2   LYS+  38 - HG2   GLU- 100   9.25 +/- 6.17  32.631% *  5.3047% (0.57   0.24   0.02) =   2.879%  kept
          HB2   LEU   31 - HG2   GLU- 100  13.09 +/- 3.77   2.892% *  0.1383% (0.18   0.02   0.02) =   0.007%
          QG2   THR   77 - HG2   GLU- 100  20.21 +/- 1.83   0.304% *  0.7738% (0.98   0.02   0.02) =   0.004%
          QB    ALA   88 - HG2   GLU- 100  20.38 +/- 3.80   0.319% *  0.7080% (0.90   0.02   0.02) =   0.004%
          QG2   THR   23 - HG2   GLU- 100  19.38 +/- 3.47   0.782% *  0.1562% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG2   GLU- 100  27.74 +/- 3.58   0.115% *  0.1758% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 4.07, residual support = 38.9:
          HG2   LYS+  99 - HG3   GLU- 100   3.52 +/- 1.06  65.963% * 96.7834% (0.45   4.08  39.00) =  99.707%  kept
          HG2   LYS+  38 - HG3   GLU- 100   9.91 +/- 6.29  28.684% *  0.5993% (0.57   0.02   0.02) =   0.268%  kept
          HB2   LEU   31 - HG3   GLU- 100  13.56 +/- 4.12   3.983% *  0.1854% (0.18   0.02   0.02) =   0.012%
          QG2   THR   77 - HG3   GLU- 100  20.63 +/- 1.76   0.340% *  1.0375% (0.98   0.02   0.02) =   0.006%
          QB    ALA   88 - HG3   GLU- 100  20.50 +/- 3.85   0.350% *  0.9493% (0.90   0.02   0.02) =   0.005%
          QG2   THR   23 - HG3   GLU- 100  19.86 +/- 3.39   0.503% *  0.2095% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG3   GLU- 100  27.83 +/- 3.81   0.177% *  0.2357% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.44, residual support = 75.4:
      O   HA    GLU- 100 - HG3   GLU- 100   3.43 +/- 0.57  77.253% * 99.4306% (1.00  10.0   4.45  75.51) =  99.908%  kept
          HA    LYS+  38 - HG3   GLU- 100   9.24 +/- 5.38  21.280% *  0.3263% (0.20   1.0   0.33   0.02) =   0.090%
          HA    VAL   83 - HG3   GLU- 100  23.14 +/- 4.60   0.413% *  0.0997% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  26.01 +/- 3.78   0.382% *  0.0988% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.42 +/- 4.26   0.672% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.25, residual support = 75.5:
          HN    GLU- 100 - HG3   GLU- 100   3.52 +/- 0.46 100.000% *100.0000% (0.97   4.25  75.51) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.45, residual support = 75.5:
          HN    GLU- 100 - HG2   GLU- 100   2.98 +/- 0.86 100.000% *100.0000% (0.84   6.45  75.51) = 100.000%  kept
    Distance limit 4.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.82, residual support = 159.8:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.55 +/- 0.19  89.627% * 99.6342% (1.00  10.0   4.82 159.77) =  99.995%  kept
          HN    THR   39 - HB    VAL   41   7.88 +/- 0.91   4.042% *  0.0272% (0.27   1.0   0.02   0.27) =   0.001%
          HN    LYS+ 102 - HB    VAL   41  11.04 +/- 3.41   1.975% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB    VAL   41  10.81 +/- 1.85   1.607% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  16.05 +/- 4.00   0.666% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - QB    LYS+ 102  14.43 +/- 3.88   0.817% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  15.81 +/- 3.85   0.557% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  15.25 +/- 4.29   0.709% *  0.0290% (0.29   1.0   0.02   0.39) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 23.5:
          HN    ILE  103 - QB    LYS+ 102   2.95 +/- 0.42  92.574% * 98.9461% (1.00   5.46  23.47) =  99.987%  kept
          HN    ILE  103 - HB    VAL   41  11.18 +/- 3.37   4.486% *  0.1630% (0.45   0.02   0.02) =   0.008%
          HN    GLN   90 - QB    LYS+ 102  18.67 +/- 2.38   0.490% *  0.3431% (0.95   0.02   0.02) =   0.002%
          HN    GLY  109 - QB    LYS+ 102  17.86 +/- 0.98   0.457% *  0.1908% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  18.59 +/- 2.26   0.495% *  0.1542% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  18.56 +/- 2.06   0.492% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.17 +/- 3.76   0.444% *  0.0808% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  19.69 +/- 3.49   0.562% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.57, residual support = 159.3:
          HN    LYS+ 102 - HG2   LYS+ 102   3.72 +/- 0.23  88.040% * 95.9280% (0.73   4.59 159.77) =  99.677%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.70 +/- 1.38   7.497% *  3.5539% (0.38   0.33   0.02) =   0.314%  kept
          HN    GLU-  36 - HG2   LYS+ 102  17.82 +/- 4.88   1.426% *  0.3031% (0.53   0.02   0.02) =   0.005%
          HN    THR   39 - HG2   LYS+ 102  16.30 +/- 4.57   1.649% *  0.1009% (0.18   0.02   0.02) =   0.002%
          HD1   TRP   87 - HG2   LYS+ 102  18.18 +/- 4.52   1.388% *  0.1140% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.99 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 = 0.645, support = 0.02, residual support = 0.026:
        T QB    SER   85 - HA    ILE  103  17.67 +/- 3.43   5.152% * 19.9520% (0.90 10.00   0.02   0.02) =  27.303%  kept
        T QB    SER  117 - HA    ILE  103  15.62 +/- 4.33   8.266% *  7.5887% (0.34 10.00   0.02   0.02) =  16.662%  kept
        T QB    SER   48 - HA    ILE  103  20.73 +/- 2.93   2.884% * 19.2979% (0.87 10.00   0.02   0.02) =  14.786%  kept
        T QB    SER   48 - HA    THR   39  22.06 +/- 4.11   3.150% *  6.3756% (0.29 10.00   0.02   0.02) =   5.335%  kept
        T HA2   GLY   51 - HA    ILE  103  26.09 +/- 3.57   1.356% * 13.4936% (0.61 10.00   0.02   0.02) =   4.862%  kept
          HA2   GLY   16 - HA    ILE  103  19.95 +/- 6.26   9.124% *  1.9952% (0.90  1.00   0.02   0.02) =   4.836%  kept
          HB    THR   94 - HA    ILE  103  13.44 +/- 0.59   8.283% *  1.7002% (0.76  1.00   0.02   0.02) =   3.741%  kept
          HA2   GLY   16 - HA    THR   39  11.09 +/- 4.54  20.727% *  0.6592% (0.30  1.00   0.02   0.18) =   3.629%  kept
          HA    LYS+ 121 - HA    ILE  103  17.78 +/- 8.34   8.609% *  1.5282% (0.69  1.00   0.02   0.02) =   3.495%  kept
        T QB    SER   85 - HA    THR   39  24.67 +/- 2.94   1.539% *  6.5917% (0.30 10.00   0.02   0.02) =   2.695%  kept
        T HD2   PRO   52 - HA    ILE  103  23.73 +/- 3.42   1.680% *  5.5474% (0.25 10.00   0.02   0.02) =   2.476%  kept
          HA    ALA  120 - HA    ILE  103  19.70 +/- 6.12   3.874% *  2.2050% (0.99  1.00   0.02   0.02) =   2.269%  kept
          HA    LYS+  65 - HA    ILE  103  18.36 +/- 2.02   3.463% *  1.8582% (0.84  1.00   0.02   0.02) =   1.709%  kept
        T QB    SER  117 - HA    THR   39  21.38 +/- 3.24   2.290% *  2.5072% (0.11 10.00   0.02   0.02) =   1.525%  kept
          HA    LYS+  65 - HA    THR   39  14.42 +/- 1.72   8.370% *  0.6139% (0.28  1.00   0.02   0.02) =   1.365%  kept
        T HA2   GLY   51 - HA    THR   39  28.01 +/- 4.21   1.098% *  4.4580% (0.20 10.00   0.02   0.02) =   1.300%  kept
        T HD2   PRO   52 - HA    THR   39  26.37 +/- 4.42   1.341% *  1.8327% (0.08 10.00   0.02   0.02) =   0.653%  kept
          HA    LYS+ 121 - HA    THR   39  21.57 +/- 7.39   3.927% *  0.5049% (0.23  1.00   0.02   0.02) =   0.527%  kept
          HA    ALA  120 - HA    THR   39  22.65 +/- 5.82   2.389% *  0.7285% (0.33  1.00   0.02   0.02) =   0.462%  kept
          HB    THR   94 - HA    THR   39  20.34 +/- 0.80   2.477% *  0.5617% (0.25  1.00   0.02   0.02) =   0.370%  kept
    Distance limit 3.19 A violated in 20 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.56, residual support = 39.2:
      O   HN    LEU  104 - HA    ILE  103   2.37 +/- 0.11  95.885% * 99.8797% (0.92  10.0   6.56  39.20) =  99.999%  kept
          HN    PHE   72 - HA    THR   39   8.49 +/- 1.20   3.062% *  0.0217% (0.20   1.0   0.02   0.02) =   0.001%
          HN    PHE   72 - HA    ILE  103  14.35 +/- 1.94   0.490% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  14.39 +/- 3.23   0.563% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.35, support = 3.82, residual support = 36.8:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.05  76.073% * 70.7611% (0.33  10.0   3.80  37.86) =  92.832%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.20  14.705% * 28.2103% (0.65   1.0   4.04  23.47) =   7.154%  kept
          HD1   TRP   87 - HA    ILE  103  14.20 +/- 4.01   1.018% *  0.2156% (1.00   1.0   0.02   0.39) =   0.004%
          HN    THR   39 - HA    ILE  103  14.47 +/- 3.42   0.853% *  0.2142% (0.99   1.0   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    THR   39   8.41 +/- 0.32   3.038% *  0.0596% (0.28   1.0   0.02   0.99) =   0.003%
          HN    GLU-  36 - HA    ILE  103  17.01 +/- 3.40   0.519% *  0.1805% (0.84   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ILE  103  17.83 +/- 3.57   0.510% *  0.1052% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    THR   39  13.81 +/- 4.62   1.142% *  0.0462% (0.21   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    THR   39  21.86 +/- 4.06   0.222% *  0.0712% (0.33   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.57 +/- 1.46   0.440% *  0.0348% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.95 +/- 1.86   0.335% *  0.0428% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  17.98 +/- 2.97   0.422% *  0.0333% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  16.81 +/- 3.01   0.614% *  0.0110% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.66 +/- 1.32   0.109% *  0.0141% (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 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.14, residual support = 31.6:
        T QD1   LEU   98 - HA    ILE  103   3.01 +/- 0.47  92.501% * 99.6453% (0.41 10.00   4.14  31.57) =  99.993%  kept
          QG2   ILE   19 - HA    THR   39  10.49 +/- 1.92   4.027% *  0.0799% (0.33  1.00   0.02   0.02) =   0.003%
          QG2   ILE   19 - HA    ILE  103  14.91 +/- 2.42   1.106% *  0.2418% (1.00  1.00   0.02   0.02) =   0.003%
          QD1   LEU   98 - HA    THR   39  11.14 +/- 3.05   2.366% *  0.0329% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.466, support = 2.75, residual support = 8.33:
          HN    ASP- 105 - QG2   ILE  103   2.76 +/- 0.85  74.880% * 28.1693% (0.38   2.56   3.05) =  73.763%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.40 +/- 0.13  10.490% * 70.6046% (0.73   3.32  23.47) =  25.901%  kept
          HD1   TRP   87 - QG2   ILE  103  10.93 +/- 3.55  10.943% *  0.8151% (0.20   0.14   0.39) =   0.312%  kept
          HN    GLU-  36 - QG2   ILE  103  16.17 +/- 2.63   1.562% *  0.3084% (0.53   0.02   0.02) =   0.017%
          HN    THR   39 - QG2   ILE  103  14.05 +/- 2.40   2.126% *  0.1026% (0.18   0.02   0.02) =   0.008%
    Distance limit 3.58 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.52, residual support = 39.2:
          HN    LEU  104 - QG2   ILE  103   2.09 +/- 0.25  99.509% * 99.9401% (0.90   6.52  39.20) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  12.94 +/- 1.45   0.491% *  0.0599% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 139.1:
      O   HN    ILE  103 - HB    ILE  103   2.21 +/- 0.16  99.074% * 99.8308% (1.00  10.0   6.74 139.10) =  99.999%  kept
          HN    GLN   90 - HB    ILE  103  16.33 +/- 2.58   0.314% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.42 +/- 1.44   0.345% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  19.97 +/- 4.20   0.266% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.215, support = 5.94, residual support = 135.5:
      O T HA    ILE  103 - HG12  ILE  103   2.25 +/- 0.20  92.639% * 56.1520% (0.20  10.0 10.00   5.98 139.10) =  96.380%  kept
          HA    LEU  104 - HG12  ILE  103   6.25 +/- 0.18   4.552% * 42.8282% (0.61   1.0  1.00   4.98  39.20) =   3.612%  kept
          HA    ASP-  86 - HG12  ILE  103  15.14 +/- 4.87   0.743% *  0.2247% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP-  44 - HG12  ILE  103  11.18 +/- 1.51   1.110% *  0.0926% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - HG12  ILE  103  23.16 +/- 4.69   0.160% *  0.2247% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  16.64 +/- 3.78   0.354% *  0.0768% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HG12  ILE  103  27.66 +/- 5.79   0.096% *  0.2232% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  17.77 +/- 2.74   0.271% *  0.0768% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  29.70 +/- 6.46   0.075% *  0.1010% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.93, residual support = 139.1:
          HN    ILE  103 - HG12  ILE  103   3.24 +/- 0.56  96.235% * 99.5134% (0.80   6.93 139.10) =  99.993%  kept
          HN    GLN   90 - HG12  ILE  103  15.66 +/- 2.65   1.310% *  0.2716% (0.76   0.02   0.02) =   0.004%
          HN    GLY  109 - HG12  ILE  103  15.00 +/- 1.30   1.274% *  0.1511% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  18.89 +/- 3.60   1.181% *  0.0639% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 139.1:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  98.336% * 99.2748% (0.58  10.0 10.00   4.30 139.10) =  99.998%  kept
          QG2   THR   94 - HG12  ILE  103   8.86 +/- 0.95   0.847% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   71 - HG12  ILE  103  15.22 +/- 2.93   0.203% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.70 +/- 0.95   0.471% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  20.72 +/- 2.49   0.081% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  21.50 +/- 2.15   0.062% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.594, support = 5.05, residual support = 139.1:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  65.030% * 32.5765% (0.39  10.0 10.00   4.62 139.10) =  50.145%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.80 +/- 0.28  31.536% * 66.7776% (0.80  10.0 10.00   5.47 139.10) =  49.847%  kept
        T QD2   LEU   71 - HG12  ILE  103  13.06 +/- 2.28   0.372% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HG12  ILE  103   8.37 +/- 3.19   1.862% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HG12  ILE  103  13.18 +/- 2.20   0.379% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  17.06 +/- 2.07   0.168% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.31 +/- 2.27   0.432% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  16.41 +/- 4.04   0.221% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.65, residual support = 31.6:
          QD1   LEU   98 - HG12  ILE  103   2.33 +/- 0.57  98.703% * 99.7452% (0.72   5.65  31.57) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  14.44 +/- 2.73   1.297% *  0.2548% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.743, support = 4.09, residual support = 139.1:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  55.970% * 82.5087% (0.84  10.0   3.97 139.10) =  86.011%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.43 +/- 0.43  43.412% * 17.2996% (0.18  10.0   4.84 139.10) =  13.988%  kept
          QD2   LEU   71 - HG13  ILE  103  13.76 +/- 2.51   0.287% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  16.40 +/- 3.91   0.188% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.13 +/- 2.30   0.142% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 2.31, residual support = 31.6:
          QD1   LEU   98 - HG13  ILE  103   3.17 +/- 0.35  98.405% * 99.3793% (0.90   2.31  31.57) =  99.990%  kept
          QG2   ILE   19 - HG13  ILE  103  14.89 +/- 2.92   1.595% *  0.6207% (0.65   0.02   0.02) =   0.010%
    Distance limit 3.67 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 = 0.64, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  13.70 +/- 2.75  25.296% * 30.1124% (0.77   0.02   0.02) =  33.296%  kept
          HD1   TRP   27 - QD1   ILE  103  12.85 +/- 4.57  34.031% * 17.5479% (0.45   0.02   0.02) =  26.103%  kept
          QD    PHE   59 - QD1   ILE  103  13.91 +/- 3.17  28.198% * 17.5479% (0.45   0.02   0.02) =  21.629%  kept
          HH2   TRP   49 - QD1   ILE  103  19.25 +/- 3.04  12.475% * 34.7918% (0.89   0.02   0.02) =  18.972%  kept
    Distance limit 4.10 A violated in 20 structures by 6.10 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.551, support = 0.364, residual support = 0.374:
          HE3   TRP   87 - QD1   ILE  103   7.70 +/- 4.79  42.733% * 58.4737% (0.52   0.42   0.39) =  79.862%  kept
          HN    TRP   87 - QD1   ILE  103  10.59 +/- 3.58  16.663% * 31.3849% (0.67   0.18   0.39) =  16.714%  kept
          HN    GLN   17 - QD1   ILE  103  16.83 +/- 4.70  11.297% *  4.2807% (0.80   0.02   0.02) =   1.546%  kept
          HD21  ASN   69 - QD1   ILE  103  15.78 +/- 3.35  10.441% *  3.3899% (0.63   0.02   0.02) =   1.131%  kept
          HN    ALA   61 - QD1   ILE  103  15.75 +/- 2.44   9.619% *  1.3721% (0.26   0.02   0.02) =   0.422%  kept
          HN    ALA   91 - QD1   ILE  103  13.59 +/- 2.05   9.247% *  1.0987% (0.21   0.02   0.02) =   0.325%  kept
    Distance limit 3.74 A violated in 13 structures by 2.82 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 139.1:
          HN    ILE  103 - QD1   ILE  103   2.75 +/- 0.80  93.701% * 99.4068% (0.92   5.68 139.10) =  99.985%  kept
          HN    GLN   90 - QD1   ILE  103  12.73 +/- 2.29   2.400% *  0.3311% (0.87   0.02   0.02) =   0.009%
          HN    GLY  109 - QD1   ILE  103  12.55 +/- 1.93   2.729% *  0.1841% (0.49   0.02   0.02) =   0.005%
          HN    SER   82 - QD1   ILE  103  15.25 +/- 3.13   1.170% *  0.0779% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 5.39, residual support = 138.2:
      O   HA    ILE  103 - HG13  ILE  103   3.19 +/- 0.27  80.156% * 92.0146% (0.73  10.0   5.40 139.10) =  99.117%  kept
          HA    LEU  104 - HG13  ILE  103   6.68 +/- 0.23   9.027% *  7.1687% (0.28   1.0   4.07  39.20) =   0.870%  kept
          HA    ASP-  44 - HG13  ILE  103  11.01 +/- 1.65   3.577% *  0.1136% (0.90   1.0   0.02   0.02) =   0.005%
          HA    ASP-  86 - HG13  ILE  103  14.25 +/- 4.80   2.561% *  0.0920% (0.73   1.0   0.02   0.02) =   0.003%
          HA    SER   85 - HG13  ILE  103  15.66 +/- 3.71   1.101% *  0.1058% (0.84   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HG13  ILE  103  17.22 +/- 2.79   0.738% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HG13  ILE  103  18.53 +/- 3.31   0.845% *  0.0432% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  15.59 +/- 3.32   0.923% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  23.94 +/- 4.71   0.370% *  0.0820% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  28.47 +/- 5.95   0.248% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.52 +/- 6.54   0.193% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  25.00 +/- 2.71   0.263% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 139.1:
          HN    ILE  103 - HG13  ILE  103   3.69 +/- 0.50  94.308% * 99.4596% (1.00   6.24 139.10) =  99.989%  kept
          HN    GLN   90 - HG13  ILE  103  14.77 +/- 2.49   1.944% *  0.3017% (0.95   0.02   0.02) =   0.006%
          HN    GLY  109 - HG13  ILE  103  14.29 +/- 1.62   2.183% *  0.1678% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  18.16 +/- 3.72   1.565% *  0.0710% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.5, residual support = 139.1:
          HN    ILE  103 - QG2   ILE  103   3.60 +/- 0.07  92.511% * 99.2553% (0.69   6.50 139.10) =  99.977%  kept
          HN    GLY  109 - QG2   ILE  103  11.30 +/- 1.08   3.367% *  0.4292% (0.97   0.02   0.02) =   0.016%
          HN    GLN   90 - QG2   ILE  103  12.71 +/- 1.98   2.576% *  0.2165% (0.49   0.02   0.02) =   0.006%
          HE1   HIS   22 - QG2   ILE  103  19.61 +/- 3.43   1.546% *  0.0990% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.77, residual support = 23.5:
          HA    LYS+ 102 - HB    ILE  103   4.52 +/- 0.17  95.719% * 98.7643% (0.38   4.77  23.47) =  99.970%  kept
          HA    ALA   20 - HB    ILE  103  20.05 +/- 3.28   2.382% *  1.0175% (0.92   0.02   0.02) =   0.026%
          HA    LEU   71 - HB    ILE  103  17.42 +/- 2.29   1.899% *  0.2181% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.18 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.62, residual support = 15.7:
        T HB2   PHE   97 - HB2   LEU  104   2.94 +/- 0.72  66.960% * 94.3081% (0.82 10.00   4.67  16.00) =  98.398%  kept
          QE    LYS+ 106 - HB2   LEU  104   6.97 +/- 1.58  18.598% *  5.5026% (0.78  1.00   1.23   0.33) =   1.595%  kept
          QE    LYS+  99 - HB2   LEU  104   6.69 +/- 0.96  12.590% *  0.0249% (0.22  1.00   0.02  18.80) =   0.005%
          HB3   TRP   27 - HB2   LEU  104  17.32 +/- 2.97   1.338% *  0.0920% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  16.96 +/- 3.50   0.513% *  0.0724% (0.63  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.45, residual support = 37.1:
          HN    ASP- 105 - HB2   LEU  104   2.55 +/- 0.52  99.545% * 99.8771% (0.82   6.45  37.14) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  18.31 +/- 3.94   0.455% *  0.1229% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.46, residual support = 216.5:
      O   HN    LEU  104 - HB2   LEU  104   2.77 +/- 0.21  99.104% * 99.7579% (0.36  10.0   7.46 216.46) =  99.998%  kept
          HN    PHE   72 - HB2   LEU  104  14.40 +/- 2.41   0.896% *  0.2421% (0.87   1.0   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.89, residual support = 216.5:
      O   HN    LEU  104 - HB3   LEU  104   3.74 +/- 0.09  98.329% * 99.9343% (0.71  10.0   6.89 216.46) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  15.68 +/- 2.50   1.671% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 7.46, residual support = 216.5:
          HN    LEU  104 - HG    LEU  104   3.21 +/- 0.59  98.519% * 99.8241% (0.92   7.46 216.46) =  99.997%  kept
          HN    PHE   72 - HG    LEU  104  14.67 +/- 2.59   1.481% *  0.1759% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.51 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.7, residual support = 18.7:
          HN    LYS+  99 - HG    LEU  104   3.82 +/- 0.67  77.348% * 96.7537% (0.98   1.70  18.80) =  99.689%  kept
          HE1   HIS  122 - HG    LEU  104  15.54 +/- 9.66  17.728% *  1.1562% (1.00   0.02   0.02) =   0.273%  kept
          HN    GLN   30 - HG    LEU  104  17.58 +/- 2.81   3.132% *  0.5195% (0.45   0.02   0.02) =   0.022%
          HN    GLU-  14 - HG    LEU  104  23.46 +/- 4.98   0.617% *  1.1358% (0.98   0.02   0.02) =   0.009%
          HN    ASP-  86 - HG    LEU  104  20.19 +/- 3.94   1.175% *  0.4349% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.16 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 6.71, residual support = 205.0:
          HN    LEU  104 - QD1   LEU  104   3.66 +/- 0.75  66.564% * 73.8933% (0.40   6.89 216.46) =  93.496%  kept
          HN    PHE   72 - QD1   LEU   73   6.81 +/- 0.56  13.991% * 21.4394% (0.18   4.47  43.62) =   5.702%  kept
          HN    PHE   72 - QD1   LEU   63   7.82 +/- 1.66   9.915% *  4.0678% (0.18   0.85  16.43) =   0.767%  kept
          HN    PHE   72 - QD1   LEU  104  11.58 +/- 2.36   3.039% *  0.5204% (0.96   0.02   0.02) =   0.030%
          HN    LEU  104 - QD1   LEU   73  11.38 +/- 2.68   3.935% *  0.0395% (0.07   0.02   0.02) =   0.003%
          HN    LEU  104 - QD1   LEU   63  13.53 +/- 2.76   2.556% *  0.0395% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.396, support = 3.28, residual support = 18.8:
        T HB2   LYS+  99 - QD1   LEU  104   2.55 +/- 0.47  71.254% * 96.6024% (0.40 10.00   3.28  18.80) =  99.798%  kept
          HB    VAL   43 - QD1   LEU   73   6.02 +/- 1.81  18.651% *  0.5463% (0.09  1.00   0.48   7.51) =   0.148%  kept
        T HB    VAL   43 - QD1   LEU  104   9.74 +/- 1.74   2.184% *  1.2363% (0.51 10.00   0.02   0.02) =   0.039%
        T HB    ILE   89 - QD1   LEU  104  15.11 +/- 2.44   0.479% *  1.0535% (0.43 10.00   0.02   0.02) =   0.007%
        T HB2   LYS+  99 - QD1   LEU   73  11.54 +/- 2.71   1.730% *  0.1779% (0.07 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  99 - QD1   LEU   63  13.83 +/- 2.74   0.581% *  0.1779% (0.07 10.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QD1   LEU   63  10.29 +/- 2.61   2.230% *  0.0228% (0.09  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU  104  20.14 +/- 2.61   0.216% *  0.1053% (0.43  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  12.08 +/- 2.14   0.949% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  14.51 +/- 2.57   0.817% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  14.51 +/- 2.53   0.543% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.49 +/- 2.81   0.368% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.87, support = 2.41, residual support = 19.5:
          HB2   LYS+  99 - QD2   LEU  104   2.68 +/- 0.61  51.120% * 82.4005% (0.90  1.00   2.37  18.80) =  96.587%  kept
          HB3   GLN   17 - QG2   VAL   18   4.92 +/- 1.15  19.197% *  6.1184% (0.04  1.00   4.13  49.74) =   2.693%  kept
        T HB    VAL   43 - QD2   LEU  104   9.35 +/- 1.47   1.583% *  7.4682% (0.97 10.00   0.02   0.02) =   0.271%  kept
          HB2   LYS+  99 - QG1   VAL   41   7.01 +/- 2.86   8.362% *  1.2917% (0.05  1.00   0.69   0.02) =   0.248%  kept
        T HB    VAL   43 - QG2   VAL   18  10.43 +/- 4.01   5.598% *  1.1476% (0.15 10.00   0.02   0.02) =   0.147%  kept
        T HB    VAL   43 - QG1   VAL   41   7.43 +/- 1.26   4.852% *  0.4011% (0.05 10.00   0.02   1.33) =   0.045%
          QD    LYS+  81 - QD2   LEU  104  19.58 +/- 2.85   0.173% *  0.7144% (0.92  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QD2   LEU  104  16.34 +/- 4.00   0.451% *  0.1930% (0.25  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG1   VAL   41  11.10 +/- 3.83   7.629% *  0.0104% (0.01  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QG2   VAL   18  14.69 +/- 3.17   0.543% *  0.1066% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  17.55 +/- 4.14   0.283% *  0.1098% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   41  18.32 +/- 2.14   0.209% *  0.0384% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.43, residual support = 41.8:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  93.784% * 76.0982% (0.72  10.0 10.00   3.41  42.01) =  98.793%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.12 +/- 0.20   3.813% * 22.8153% (0.93   1.0  1.00   4.68  24.44) =   1.204%  kept
          HB    ILE  103 - HB2   ASP- 105   8.36 +/- 0.34   0.878% *  0.0684% (0.65   1.0  1.00   0.02   3.05) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  16.68 +/- 1.94   0.136% *  0.3737% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   ASP- 105  17.90 +/- 3.15   0.228% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  20.12 +/- 3.90   0.166% *  0.0961% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  16.28 +/- 4.68   0.184% *  0.0864% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  18.54 +/- 4.79   0.164% *  0.0644% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.60 +/- 2.82   0.094% *  0.0864% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.61 +/- 5.03   0.310% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  19.49 +/- 2.79   0.078% *  0.0723% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.24 +/- 3.06   0.071% *  0.0723% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.76 +/- 2.48   0.095% *  0.0524% (0.50   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.66, residual support = 4.19:
        T QG2   THR  118 - HB2   ASP- 105   7.77 +/- 6.35 100.000% *100.0000% (0.54 10.00   1.66   4.19) = 100.000%  kept
    Distance limit 3.36 A violated in 12 structures by 4.68 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.66, residual support = 4.19:
        T QG2   THR  118 - HB3   ASP- 105   8.33 +/- 6.32 100.000% *100.0000% (0.57 10.00   1.66   4.19) = 100.000%  kept
    Distance limit 3.58 A violated in 12 structures by 4.88 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.88, support = 4.71, residual support = 48.2:
          HB2   PHE   97 - HB2   ASP- 105   4.37 +/- 0.66  59.283% * 55.5058% (0.89   4.96  58.73) =  69.291%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.85 +/- 0.94  33.090% * 44.0450% (0.85   4.15  24.44) =  30.690%  kept
          HB3   PHE   60 - HB2   ASP- 105  15.19 +/- 3.30   1.973% *  0.1718% (0.69   0.02   0.02) =   0.007%
          HB3   TRP   27 - HB2   ASP- 105  18.40 +/- 2.80   1.211% *  0.2184% (0.87   0.02   0.02) =   0.006%
          QE    LYS+  99 - HB2   ASP- 105  10.83 +/- 0.90   4.443% *  0.0590% (0.24   0.02   0.41) =   0.006%
    Distance limit 4.03 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.793, support = 3.83, residual support = 53.1:
        T HB2   PHE   97 - HB3   ASP- 105   3.60 +/- 0.93  63.532% * 67.7091% (0.87 10.00   3.84  58.73) =  83.725%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.28 +/- 1.18  26.045% * 32.0903% (0.41 10.00   3.80  24.44) =  16.267%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.63 +/- 1.07   4.185% *  0.0567% (0.73  1.00   0.02   0.41) =   0.005%
          QE    LYS+ 102 - HB3   ASP- 105  10.93 +/- 1.33   3.208% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   ASP- 105  18.20 +/- 2.97   0.863% *  0.0700% (0.90  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  17.37 +/- 2.93   0.883% *  0.0350% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  15.60 +/- 3.39   1.284% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 42.0:
      O T HA    ASP- 105 - HB3   ASP- 105   2.94 +/- 0.11  98.891% * 99.8608% (0.87  10.0 10.00   3.23  42.01) =  99.999%  kept
          HA    LEU   80 - HB3   ASP- 105  21.20 +/- 3.76   0.545% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  23.64 +/- 3.71   0.268% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.62 +/- 3.37   0.297% *  0.0178% (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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.64, residual support = 42.0:
      O   HN    ASP- 105 - HB3   ASP- 105   2.92 +/- 0.25  98.277% * 99.9603% (0.95  10.0   4.64  42.01) =  99.999%  kept
          HN    ALA   88 - HB3   ASP- 105  17.23 +/- 4.17   1.723% *  0.0397% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.86, residual support = 24.4:
          HN    LYS+ 106 - HB3   ASP- 105   4.02 +/- 0.31  94.337% * 99.5453% (0.18   3.86  24.44) =  99.973%  kept
          HN    VAL   41 - HB3   ASP- 105  11.62 +/- 2.85   5.663% *  0.4547% (0.15   0.02   0.02) =   0.027%
    Distance limit 3.97 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.59, residual support = 58.6:
          QD    PHE   97 - HB2   ASP- 105   3.91 +/- 0.97  74.869% * 99.3480% (0.87   3.60  58.73) =  99.827%  kept
          HZ3   TRP   87 - HB2   ASP- 105  12.57 +/- 5.62  24.650% *  0.5188% (0.82   0.02   0.02) =   0.172%  kept
          HE3   TRP   49 - HB2   ASP- 105  22.65 +/- 3.36   0.481% *  0.1332% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.71, residual support = 42.0:
      O   HN    ASP- 105 - HB2   ASP- 105   3.69 +/- 0.17  96.534% * 99.9603% (0.89  10.0   4.71  42.01) =  99.999%  kept
          HN    ALA   88 - HB2   ASP- 105  16.58 +/- 4.00   3.466% *  0.0397% (0.36   1.0   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.81, residual support = 24.4:
          HN    LYS+ 106 - HB2   ASP- 105   2.91 +/- 0.43  97.958% * 99.5402% (0.17   3.81  24.44) =  99.990%  kept
          HN    VAL   41 - HB2   ASP- 105  12.49 +/- 2.68   2.042% *  0.4598% (0.15   0.02   0.02) =   0.010%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   3.13 +/- 1.08  97.233% * 99.9189% (0.87 10.00   1.07   2.13) =  99.998%  kept
          HA    PHE   72 - HA    LYS+ 106  13.97 +/- 1.80   2.767% *  0.0811% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 3 structures by 0.29 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.16, residual support = 11.8:
          QD    PHE   97 - HA    LYS+ 106   3.33 +/- 0.57  89.599% * 99.5994% (0.45   4.16  11.78) =  99.953%  kept
          HZ3   TRP   87 - HA    LYS+ 106  10.87 +/- 4.63  10.401% *  0.4006% (0.38   0.02   0.02) =   0.047%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.14, residual support = 11.7:
          HN    PHE   97 - HA    LYS+ 106   3.56 +/- 0.66  87.745% * 91.2264% (0.90   3.16  11.78) =  99.443%  kept
          HN    LEU  115 - HA    LYS+ 106  11.19 +/- 2.77   5.066% *  8.5945% (0.90   0.30   0.02) =   0.541%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.66 +/- 2.38   7.189% *  0.1792% (0.28   0.02   0.02) =   0.016%
    Distance limit 3.80 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.0:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.05 100.000% *100.0000% (0.61  10.0   5.17 135.04) = 100.000%  kept
    Distance limit 3.63 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 = 26.2:
      O   HN    VAL  107 - HA    LYS+ 106   2.26 +/- 0.13  99.814% * 99.8992% (0.99  10.0   4.58  26.23) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.44 +/- 2.31   0.186% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.36, residual support = 135.0:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.04 +/- 0.29  97.498% * 99.9120% (0.18  10.0   5.36 135.04) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  11.58 +/- 2.37   2.502% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.62 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 = 5.09, residual support = 26.2:
          HN    VAL  107 - QB    LYS+ 106   3.14 +/- 0.27  99.383% * 99.6053% (0.99   5.09  26.23) =  99.998%  kept
          HN    GLY   51 - QB    LYS+ 106  18.10 +/- 2.25   0.617% *  0.3947% (1.00   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.606, support = 5.93, residual support = 134.9:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.39 +/- 0.10  85.889% * 94.0497% (0.61  10.0 10.00   5.93 135.04) =  99.908%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.08 +/- 0.83   3.830% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.053%
        T HG3   LYS+ 102 - QB    LYS+ 106  10.86 +/- 1.17   1.109% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+  65 - QB    LYS+ 106  16.87 +/- 3.30   0.513% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  33 - QB    LYS+ 106  18.75 +/- 2.46   0.205% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QB    LYS+ 106   9.76 +/- 1.87   1.696% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QB    LYS+ 106  13.66 +/- 2.26   1.280% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QB    LYS+ 106  13.28 +/- 7.05   2.041% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+ 106  13.21 +/- 2.68   0.884% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QB    LYS+ 106  14.45 +/- 3.26   0.852% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.13 +/- 1.55   0.385% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.46 +/- 1.08   1.167% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.33 +/- 3.73   0.149% *  0.1467% (0.95   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 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.67, residual support = 5.72:
          QG2   VAL  108 - QB    LYS+ 106   3.24 +/- 0.24  81.436% * 86.4211% (1.00   2.72   5.83) =  97.953%  kept
          HB2   LEU  104 - QB    LYS+ 106   6.93 +/- 1.15  14.121% *  9.5412% (0.98   0.31   0.33) =   1.875%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.24 +/- 3.15   3.164% *  3.8205% (0.76   0.16   0.02) =   0.168%  kept
          HG3   LYS+ 112 - QB    LYS+ 106  14.21 +/- 1.88   1.278% *  0.2172% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.50 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 = 0.73, support = 4.3, residual support = 24.2:
          QG2   VAL  107 - QB    LYS+ 106   5.13 +/- 0.44  28.352% * 93.3870% (0.76   4.60  26.23) =  92.208%  kept
          QG2   THR   94 - QB    LYS+ 106   4.64 +/- 0.75  37.623% *  5.5351% (0.28   0.75   0.02) =   7.253%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.76 +/- 1.56  26.245% *  0.5297% (1.00   0.02   0.02) =   0.484%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  14.19 +/- 6.40   3.097% *  0.2793% (0.53   0.02   0.02) =   0.030%
          HB3   LYS+ 112 - QB    LYS+ 106  13.75 +/- 2.28   3.691% *  0.1639% (0.31   0.02   0.02) =   0.021%
          QB    ALA   20 - QB    LYS+ 106  15.49 +/- 2.11   0.991% *  0.1051% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.67 A violated in 0 structures by 0.32 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.136, support = 5.16, residual support = 103.8:
          HN    LYS+  81 - QG    LYS+  81   2.61 +/- 0.55  83.917% * 61.4779% (0.13   5.22 105.16) =  98.678%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.72 +/- 1.28   3.160% * 12.5484% (0.34   0.41   0.02) =   0.758%  kept
          HE3   TRP   27 - QG    LYS+  81  16.68 +/- 4.80   1.002% *  9.5660% (0.47   0.23   0.02) =   0.183%  kept
          HN    THR   23 - QG    LYS+  81  15.09 +/- 5.78   1.564% *  5.6411% (0.25   0.25   0.02) =   0.169%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.43 +/- 1.08   3.822% *  1.7332% (0.98   0.02   0.02) =   0.127%  kept
          HN    THR   23 - HG2   LYS+  33  12.32 +/- 1.48   1.330% *  0.9303% (0.53   0.02   0.02) =   0.024%
          HE3   TRP   27 - HG2   LYS+ 106  16.91 +/- 3.23   0.611% *  1.0511% (0.59   0.02   0.02) =   0.012%
          QE    PHE   95 - QG    LYS+  81  14.70 +/- 2.25   1.001% *  0.4793% (0.27   0.02   0.02) =   0.009%
          QD    PHE   55 - HG2   LYS+ 106  18.59 +/- 3.78   0.434% *  1.0144% (0.57   0.02   0.02) =   0.008%
          QD    PHE   55 - QG    LYS+  81  19.10 +/- 3.48   0.473% *  0.8008% (0.45   0.02   0.02) =   0.007%
          QE    PHE   95 - HG2   LYS+  33  18.82 +/- 2.40   0.312% *  1.0011% (0.57   0.02   0.02) =   0.006%
          QD    PHE   55 - HG2   LYS+  33  25.83 +/- 2.69   0.115% *  1.6727% (0.95   0.02   0.02) =   0.004%
          HN    LEU   67 - HG2   LYS+  33  16.55 +/- 1.97   0.478% *  0.3499% (0.20   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  23.78 +/- 5.89   0.299% *  0.4916% (0.28   0.02   0.02) =   0.003%
          HN    LEU   67 - HG2   LYS+ 106  18.24 +/- 3.36   0.611% *  0.2122% (0.12   0.02   0.02) =   0.002%
          HN    THR   23 - HG2   LYS+ 106  21.10 +/- 2.47   0.220% *  0.5642% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+ 106  19.75 +/- 3.39   0.298% *  0.2982% (0.17   0.02   0.02) =   0.002%
          HN    LEU   67 - QG    LYS+  81  19.66 +/- 2.59   0.352% *  0.1675% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.273, support = 0.612, residual support = 1.2:
          HN    GLU-  79 - QG    LYS+  81   6.46 +/- 1.42  50.387% * 78.4998% (0.27   0.63   1.24) =  97.075%  kept
          HN    VAL   70 - HG2   LYS+  33  14.44 +/- 2.42   9.923% *  4.4777% (0.49   0.02   0.02) =   1.091%  kept
          HN    GLU-  79 - HG2   LYS+ 106  18.58 +/- 3.69   9.055% *  3.1586% (0.34   0.02   0.02) =   0.702%  kept
          HN    THR   94 - HG2   LYS+ 106  10.94 +/- 1.09  13.343% *  1.1041% (0.12   0.02   0.02) =   0.362%  kept
          HN    VAL   70 - HG2   LYS+ 106  18.09 +/- 3.56   3.193% *  2.7156% (0.30   0.02   0.02) =   0.213%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.09 +/- 3.32   1.636% *  5.2082% (0.57   0.02   0.02) =   0.209%  kept
          HN    THR   94 - QG    LYS+  81  13.04 +/- 2.29   9.412% *  0.8716% (0.09   0.02   0.02) =   0.201%  kept
          HN    VAL   70 - QG    LYS+  81  21.85 +/- 2.21   1.475% *  2.1438% (0.23   0.02   0.02) =   0.078%
          HN    THR   94 - HG2   LYS+  33  21.73 +/- 2.03   1.575% *  1.8205% (0.20   0.02   0.02) =   0.070%
    Distance limit 4.03 A violated in 12 structures by 2.17 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.0:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.97 +/- 0.53  97.037% * 99.8764% (0.18  10.0   5.66 135.04) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+  65  17.76 +/- 3.09   0.996% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+ 102  12.88 +/- 1.35   1.574% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.37 +/- 2.32   0.393% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 4.26, residual support = 46.6:
        T HB2   PHE   95 - HB    VAL  107   2.35 +/- 0.60 100.000% *100.0000% (0.69 10.00   4.26  46.61) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.19, residual support = 60.1:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.02  94.834% * 99.7352% (0.72  10.0 10.00   3.19  60.13) =  99.998%  kept
          HG2   LYS+ 121 - HB    VAL  107  13.52 +/- 5.39   0.762% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.48 +/- 4.11   2.998% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  11.06 +/- 1.31   0.760% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB    VAL  107  16.39 +/- 2.76   0.487% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.64 +/- 2.31   0.159% *  0.0176% (0.13   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 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  95.126% * 99.5954% (0.71  10.0 10.00   3.90  60.13) =  99.997%  kept
          HD3   LYS+ 112 - HB    VAL  107  11.15 +/- 2.28   1.257% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.48 +/- 4.11   2.926% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HB    VAL  107  16.58 +/- 2.35   0.249% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.24 +/- 2.85   0.283% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.64 +/- 2.31   0.159% *  0.0253% (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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.639, support = 0.688, residual support = 5.79:
          QD2   LEU  115 - HB    VAL  107   6.78 +/- 3.24  33.695% * 76.1134% (0.67   0.75   6.59) =  87.900%  kept
          QD2   LEU   63 - HB    VAL  107  10.16 +/- 3.29  16.829% * 15.5457% (0.33   0.32   0.02) =   8.967%  kept
          QD1   LEU   63 - HB    VAL  107  10.17 +/- 3.18  15.163% *  2.1552% (0.71   0.02   0.02) =   1.120%  kept
          QD1   LEU   73 - HB    VAL  107  12.43 +/- 3.20  13.726% *  2.1552% (0.71   0.02   0.02) =   1.014%  kept
          QD2   LEU   80 - HB    VAL  107  15.17 +/- 2.90   7.023% *  1.9719% (0.65   0.02   0.02) =   0.475%  kept
          QD1   LEU  104 - HB    VAL  107   9.96 +/- 1.00   8.179% *  1.5103% (0.50   0.02   0.02) =   0.423%  kept
          QG1   VAL   83 - HB    VAL  107  13.58 +/- 2.40   5.384% *  0.5483% (0.18   0.02   0.02) =   0.101%  kept
    Distance limit 4.05 A violated in 5 structures by 1.11 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.7, residual support = 46.6:
          QD    PHE   95 - HB    VAL  107   2.51 +/- 0.73  98.831% * 99.8271% (0.63   3.70  46.61) =  99.998%  kept
          HN    ALA   47 - HB    VAL  107  12.64 +/- 1.57   1.169% *  0.1729% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.73, residual support = 5.42:
          QD    PHE   97 - HB    VAL  107   5.23 +/- 0.91  86.243% * 99.0442% (0.33   1.74   5.43) =  99.846%  kept
          HZ3   TRP   87 - HB    VAL  107  13.26 +/- 3.18  13.757% *  0.9558% (0.27   0.02   0.02) =   0.154%  kept
    Distance limit 3.87 A violated in 8 structures by 1.37 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   2.43 +/- 0.22  99.645% * 99.8992% (0.72  10.0   3.33  60.13) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.82 +/- 2.20   0.355% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.73, residual support = 46.6:
          HN    PHE   95 - HB    VAL  107   3.88 +/- 0.47 100.000% *100.0000% (0.47   3.73  46.61) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.986, support = 4.32, residual support = 59.7:
      O   QG2   VAL  107 - QG1   VAL  107   2.05 +/- 0.06  87.039% * 90.0962% (0.99  10.0  1.00   4.34  60.13) =  99.350%  kept
        T HG13  ILE  119 - QG1   VAL  107   7.19 +/- 3.35   5.393% *  9.4610% (0.20   1.0 10.00   1.05   0.02) =   0.646%  kept
          HG2   LYS+ 121 - QG1   VAL  107  10.49 +/- 4.43   1.552% *  0.0877% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QG1   VAL  107  10.04 +/- 1.05   0.854% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG1   VAL  107  14.44 +/- 2.54   0.602% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.45 +/- 2.03   0.195% *  0.1592% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   8.84 +/- 0.90   1.246% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  20.56 +/- 5.98   0.548% *  0.0208% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.72 +/- 4.73   0.739% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.20 +/- 2.12   0.360% *  0.0214% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.58 +/- 0.57   1.223% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  18.53 +/- 3.68   0.250% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.9, residual support = 60.1:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  79.208% * 99.1597% (0.65  10.0 10.00   3.90  60.13) =  99.989%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.93 +/- 2.09   7.530% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU-  79 - QG1   VAL  107  14.69 +/- 3.25   1.411% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - QG1   VAL  107   7.10 +/- 2.57   3.717% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL   24  10.23 +/- 4.39   2.377% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.20 +/- 1.79   1.842% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL  107 - QG2   VAL   24  16.58 +/- 2.35   0.208% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL   24  10.18 +/- 0.78   0.760% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  18.18 +/- 3.76   0.218% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  18.93 +/- 1.74   0.123% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.68 +/- 4.93   1.693% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.62 +/- 1.17   0.174% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  12.72 +/- 3.09   0.601% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  20.91 +/- 3.37   0.139% *  0.0064% (0.04   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 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.19, residual support = 60.1:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.02  88.063% * 99.2330% (0.65  10.0 10.00   3.19  60.13) =  99.981%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.82 +/- 1.94   2.924% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.013%
          QG    GLU-  79 - QG2   VAL  107  13.54 +/- 3.28   2.888% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN  116 - QG2   VAL  107   7.81 +/- 2.46   3.624% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG2   VAL  107   7.91 +/- 1.17   2.190% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL  107  19.09 +/- 1.70   0.134% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.20 +/- 1.32   0.177% *  0.0382% (0.25   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 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.981, residual support = 3.8:
        T QB    GLU- 114 - QG2   VAL  107   5.19 +/- 1.85  38.513% * 97.4473% (0.65 10.00   0.99   3.82) =  99.500%  kept
        T HB    ILE  119 - QG2   VAL  107   8.43 +/- 3.23  13.444% *  0.5353% (0.18 10.00   0.02   0.02) =   0.191%  kept
          HB2   LYS+ 111 - QG2   VAL  107   6.96 +/- 2.42  21.730% *  0.3030% (0.99  1.00   0.02   0.02) =   0.175%  kept
          HB2   GLN   17 - QG2   VAL  107  18.11 +/- 3.19   4.124% *  0.3057% (1.00  1.00   0.02   0.02) =   0.033%
          HB    ILE   19 - QG2   VAL  107  16.28 +/- 2.45   4.470% *  0.1731% (0.57  1.00   0.02   0.02) =   0.021%
          HB3   PRO   68 - QG2   VAL  107  16.20 +/- 3.15   2.643% *  0.2448% (0.80  1.00   0.02   0.02) =   0.017%
          QB    GLU-  15 - QG2   VAL  107  18.91 +/- 2.71   2.052% *  0.3057% (1.00  1.00   0.02   0.02) =   0.017%
          HB3   GLU-  25 - QG2   VAL  107  20.58 +/- 2.79   2.051% *  0.2892% (0.95  1.00   0.02   0.02) =   0.016%
          HG2   PRO   68 - QG2   VAL  107  15.14 +/- 3.42   3.773% *  0.1488% (0.49  1.00   0.02   0.02) =   0.015%
          HG3   GLN   30 - QG2   VAL  107  17.44 +/- 2.46   2.823% *  0.1257% (0.41  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - QG2   VAL  107  16.81 +/- 2.08   2.483% *  0.0535% (0.18  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QG2   VAL  107  17.43 +/- 1.20   1.894% *  0.0681% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.01 A violated in 10 structures by 1.67 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.64, support = 1.43, residual support = 3.04:
          QD2   LEU  115 - QG1   VAL  107   5.00 +/- 2.70  17.461% * 18.8441% (0.92  1.00   2.58   6.59) =  36.570%  kept
        T QD1   LEU   63 - QG1   VAL  107   8.79 +/- 2.84   5.499% * 34.6466% (0.98 10.00   0.45   0.02) =  21.176%  kept
        T QD1   LEU   73 - QG2   VAL   24   6.38 +/- 2.25   8.571% * 20.4474% (0.23 10.00   1.11   1.51) =  19.480%  kept
        T QD1   LEU   63 - QG2   VAL   24  12.49 +/- 4.19   6.707% * 14.5088% (0.23 10.00   0.79   0.80) =  10.816%  kept
          QD2   LEU   80 - QG2   VAL   24   8.26 +/- 6.14  18.053% *  2.4240% (0.21  1.00   1.43   4.37) =   4.864%  kept
        T QD2   LEU   63 - QG2   VAL   24  12.28 +/- 4.01   9.853% *  3.3831% (0.11 10.00   0.40   0.80) =   3.705%  kept
        T QG1   VAL   83 - QG2   VAL   24   8.23 +/- 5.24  11.463% *  1.5616% (0.06 10.00   0.33   0.13) =   1.990%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.79 +/- 2.96   7.233% *  0.7107% (0.45 10.00   0.02   0.02) =   0.571%  kept
        T QD1   LEU   73 - QG1   VAL  107  11.36 +/- 2.84   1.984% *  1.5538% (0.98 10.00   0.02   0.02) =   0.343%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.73 +/- 1.05   1.791% *  1.0889% (0.69 10.00   0.02   0.02) =   0.217%  kept
          QD2   LEU   80 - QG1   VAL  107  13.60 +/- 3.05   6.532% *  0.1422% (0.90  1.00   0.02   0.02) =   0.103%  kept
        T QG1   VAL   83 - QG1   VAL  107  12.27 +/- 2.64   2.271% *  0.3953% (0.25 10.00   0.02   0.02) =   0.100%
        T QD1   LEU  104 - QG2   VAL   24  13.59 +/- 3.78   2.238% *  0.2588% (0.16 10.00   0.02   0.02) =   0.064%
          QD2   LEU  115 - QG2   VAL   24  15.48 +/- 2.34   0.343% *  0.0348% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 2.92 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.378, support = 1.05, residual support = 6.51:
          QD1   LEU  115 - QG2   VAL  107   5.04 +/- 2.76  68.721% * 97.2533% (0.38   1.07   6.59) =  98.731%  kept
          QG1   VAL   75 - QG2   VAL  107   8.13 +/- 1.87  31.279% *  2.7467% (0.57   0.02   0.02) =   1.269%  kept
    Distance limit 3.71 A violated in 4 structures by 1.03 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.841, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.68 +/- 1.36  71.274% * 58.0948% (0.90   0.02   0.02) =  77.476%  kept
          QG2   ILE   19 - QG2   VAL  107  14.50 +/- 2.15  28.726% * 41.9052% (0.65   0.02   0.02) =  22.524%  kept
    Distance limit 3.38 A violated in 20 structures by 5.98 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.62, residual support = 60.1:
      O T HA    VAL  107 - QG2   VAL  107   2.69 +/- 0.28  83.259% * 99.4123% (0.45  10.0 10.00   3.62  60.13) =  99.980%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.55 +/- 2.02  12.456% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.011%
          HA    PRO   52 - QG2   VAL  107  12.43 +/- 3.36   1.577% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   91 - QG2   VAL  107  10.35 +/- 1.46   2.182% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - QG2   VAL  107  16.44 +/- 2.15   0.525% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.376, support = 2.78, residual support = 11.8:
          HB    VAL  108 - QG1   VAL  107   5.61 +/- 0.51  23.728% * 55.0210% (0.45  1.00   4.31  19.71) =  59.687%  kept
        T HB    ILE  119 - QG1   VAL  107   7.42 +/- 3.64  21.708% * 38.5951% (0.25 10.00   0.54   0.02) =  38.304%  kept
          HG2   PRO   58 - QG1   VAL  107  10.37 +/- 3.88  10.149% *  3.4217% (0.65  1.00   0.19   0.02) =   1.588%  kept
          HB2   PRO   93 - QG1   VAL  107   7.70 +/- 1.57  12.268% *  0.4755% (0.84  1.00   0.02   0.02) =   0.267%  kept
          HG3   PRO   52 - QG1   VAL  107  13.17 +/- 2.89   2.319% *  0.3683% (0.65  1.00   0.02   0.02) =   0.039%
          HB2   ARG+  54 - QG1   VAL  107  14.52 +/- 1.97   1.432% *  0.2995% (0.53  1.00   0.02   0.02) =   0.020%
          HG2   MET   11 - QG2   VAL   24  20.84 +/- 5.20   3.341% *  0.1034% (0.18  1.00   0.02   0.02) =   0.016%
          HB2   GLN   30 - QG2   VAL   24   7.94 +/- 0.67   8.007% *  0.0337% (0.06  1.00   0.02   0.02) =   0.012%
          HB2   GLU-  14 - QG1   VAL  107  22.34 +/- 3.26   0.605% *  0.4134% (0.73  1.00   0.02   0.02) =   0.011%
          HB2   PRO   93 - QG2   VAL   24  16.09 +/- 2.81   1.884% *  0.1130% (0.20  1.00   0.02   0.02) =   0.010%
          HB2   GLN   30 - QG1   VAL  107  16.98 +/- 2.15   1.143% *  0.1420% (0.25  1.00   0.02   0.02) =   0.007%
          HB3   GLU- 100 - QG2   VAL   24  16.51 +/- 4.75   5.173% *  0.0268% (0.05  1.00   0.02   0.02) =   0.006%
          HB2   GLU-  14 - QG2   VAL   24  16.97 +/- 2.64   1.292% *  0.0982% (0.17  1.00   0.02   0.02) =   0.006%
          HG2   MET   11 - QG1   VAL  107  28.61 +/- 4.42   0.282% *  0.4351% (0.76  1.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - QG1   VAL  107  16.90 +/- 1.25   0.893% *  0.1127% (0.20  1.00   0.02   0.02) =   0.005%
          HB    VAL  108 - QG2   VAL   24  17.10 +/- 3.94   1.572% *  0.0607% (0.11  1.00   0.02   0.02) =   0.004%
          HG2   PRO   58 - QG2   VAL   24  19.35 +/- 3.42   0.993% *  0.0875% (0.15  1.00   0.02   0.02) =   0.004%
          HG3   PRO   52 - QG2   VAL   24  19.82 +/- 3.88   0.935% *  0.0875% (0.15  1.00   0.02   0.02) =   0.004%
          HB2   ARG+  54 - QG2   VAL   24  20.77 +/- 3.97   0.834% *  0.0712% (0.13  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - QG2   VAL   24  19.65 +/- 3.58   1.441% *  0.0337% (0.06  1.00   0.02   0.02) =   0.002%
    Distance limit 3.38 A violated in 8 structures by 1.34 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.797, support = 1.47, residual support = 7.16:
          HA    LEU  115 - QG1   VAL  107   3.92 +/- 3.47  42.510% * 33.8140% (0.90   1.30   6.59) =  67.943%  kept
          HA    GLU- 114 - QG1   VAL  107   5.68 +/- 2.32   7.633% * 47.3852% (0.92   1.78   3.82) =  17.097%  kept
          HA    ASN   28 - QG2   VAL   24   4.67 +/- 0.40  24.023% * 11.7598% (0.21   1.97  14.89) =  13.353%  kept
          HA    THR   26 - QG2   VAL   24   6.39 +/- 0.20   7.499% *  4.1066% (0.14   0.99   2.75) =   1.456%  kept
          HA1   GLY  101 - QG2   VAL   24  15.64 +/- 5.88  11.466% *  0.1361% (0.24   0.02   0.02) =   0.074%
          HA    ALA   34 - QG1   VAL  107  17.68 +/- 1.99   0.514% *  0.5665% (0.98   0.02   0.02) =   0.014%
          HA    THR   26 - QG1   VAL  107  20.02 +/- 2.81   0.698% *  0.3506% (0.61   0.02   0.02) =   0.012%
          HA1   GLY  101 - QG1   VAL  107  16.21 +/- 0.90   0.422% *  0.5729% (0.99   0.02   0.02) =   0.011%
          HA    ASN   28 - QG1   VAL  107  17.38 +/- 1.84   0.476% *  0.5014% (0.87   0.02   0.02) =   0.011%
          HA    ARG+  54 - QG1   VAL  107  13.24 +/- 2.13   0.759% *  0.1972% (0.34   0.02   0.02) =   0.007%
          HA    ALA   34 - QG2   VAL   24  12.73 +/- 0.64   0.992% *  0.1346% (0.23   0.02   0.02) =   0.006%
          HA    LEU  115 - QG2   VAL   24  18.78 +/- 3.27   1.006% *  0.1232% (0.21   0.02   0.02) =   0.006%
          HA    ALA  124 - QG1   VAL  107  14.88 +/- 3.46   0.599% *  0.1441% (0.25   0.02   0.02) =   0.004%
          HA    GLU- 114 - QG2   VAL   24  21.24 +/- 3.33   0.659% *  0.1268% (0.22   0.02   0.02) =   0.004%
          HA    ARG+  54 - QG2   VAL   24  19.80 +/- 3.57   0.405% *  0.0469% (0.08   0.02   0.02) =   0.001%
          HA    ALA  124 - QG2   VAL   24  23.87 +/- 5.26   0.338% *  0.0343% (0.06   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.59, residual support = 60.0:
      O T HA    VAL  107 - QG1   VAL  107   2.24 +/- 0.28  75.523% * 95.8269% (0.45  10.0 10.00   4.60  60.13) =  99.762%  kept
          HA    TRP   27 - QG2   VAL   24   5.85 +/- 0.21   4.773% *  3.2867% (0.20   1.0  1.00   1.55  27.00) =   0.216%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.05 +/- 1.80  16.811% *  0.0729% (0.34   1.0  1.00   0.02   0.02) =   0.017%
          HA    PRO   52 - QG1   VAL  107  13.19 +/- 2.75   0.710% *  0.1854% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - QG1   VAL  107  11.76 +/- 1.61   0.961% *  0.1296% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL  107 - QG2   VAL   24  17.42 +/- 2.71   0.237% *  0.2277% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  16.78 +/- 2.03   0.235% *  0.1785% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL   24  16.84 +/- 4.59   0.461% *  0.0308% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.72 +/- 3.54   0.143% *  0.0441% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  20.24 +/- 3.21   0.145% *  0.0173% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.127, support = 3.43, residual support = 26.1:
          HD1   TRP   27 - QG2   VAL   24   2.14 +/- 0.47  87.920% * 66.8350% (0.12   3.54  27.00) =  96.731%  kept
          QD    PHE   59 - QG1   VAL  107   6.28 +/- 2.92   8.050% * 23.9164% (0.49   0.30   0.16) =   3.169%  kept
          HH2   TRP   49 - QG1   VAL  107  14.34 +/- 2.82   0.705% *  3.1532% (0.97   0.02   0.02) =   0.037%
          HE21  GLN   30 - QG1   VAL  107  16.26 +/- 2.45   0.639% *  2.7291% (0.84   0.02   0.02) =   0.029%
          HE21  GLN   30 - QG2   VAL   24   9.54 +/- 1.56   1.572% *  0.6486% (0.20   0.02   0.02) =   0.017%
          HD1   TRP   27 - QG1   VAL  107  16.55 +/- 2.07   0.462% *  1.5904% (0.49   0.02   0.02) =   0.012%
          HH2   TRP   49 - QG2   VAL   24  18.73 +/- 3.61   0.289% *  0.7494% (0.23   0.02   0.02) =   0.004%
          QD    PHE   59 - QG2   VAL   24  15.74 +/- 2.92   0.363% *  0.3780% (0.12   0.02   0.02) =   0.002%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 4.24, residual support = 46.6:
          QD    PHE   95 - QG2   VAL  107   2.30 +/- 0.50  95.509% * 99.5333% (0.95   4.24  46.61) =  99.990%  kept
          HN    ALA   47 - QG2   VAL  107  10.20 +/- 1.34   1.834% *  0.3797% (0.76   0.02   0.02) =   0.007%
          QE    PHE   72 - QG2   VAL  107   9.72 +/- 1.56   2.657% *  0.0870% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.871, support = 1.33, residual support = 6.19:
          HN    LEU  115 - QG2   VAL  107   5.23 +/- 2.64  50.455% * 74.5601% (0.90   1.49   6.59) =  85.117%  kept
          HN    PHE   97 - QG2   VAL  107   7.05 +/- 0.73  28.238% * 16.7026% (0.90   0.33   5.43) =  10.672%  kept
          HN    ASP- 113 - QG2   VAL  107   7.36 +/- 2.26  21.306% *  8.7373% (0.28   0.57   0.02) =   4.212%  kept
    Distance limit 3.93 A violated in 4 structures by 0.57 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.7:
          HN    VAL  108 - QG2   VAL  107   3.48 +/- 0.41  90.435% * 99.3371% (0.57   3.64  19.71) =  99.929%  kept
          HN    VAL   43 - QG2   VAL  107   8.65 +/- 1.43   9.565% *  0.6629% (0.69   0.02   0.02) =   0.071%
    Distance limit 3.49 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.1:
          HN    VAL  107 - QG1   VAL  107   3.35 +/- 0.44  95.840% * 99.2861% (0.99   4.13  60.13) =  99.989%  kept
          HN    GLY   51 - QG1   VAL  107  14.44 +/- 1.75   1.431% *  0.4846% (1.00   0.02   0.02) =   0.007%
          HN    VAL  107 - QG2   VAL   24  15.96 +/- 2.88   1.588% *  0.1141% (0.24   0.02   0.02) =   0.002%
          HN    GLY   51 - QG2   VAL   24  19.30 +/- 4.32   1.141% *  0.1152% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.618, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.96 +/- 1.41  60.902% * 80.7980% (0.69   0.02   0.02) =  86.763%  kept
          HN    VAL   43 - QG2   VAL   24  11.50 +/- 3.00  39.098% * 19.2020% (0.16   0.02   0.02) =  13.237%  kept
    Distance limit 3.55 A violated in 19 structures by 4.60 A, eliminated.
    Peak unassigned.
 
    Peak 3194 (8.75, 3.67, 43.34 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.2, residual support = 6.4:
      O   HN    ALA  110 - HA2   GLY  109   2.81 +/- 0.43  98.266% * 99.9027% (0.99  10.0   2.20   6.40) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  11.79 +/- 1.22   1.734% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.56 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 = 9.3:
      O   HN    GLY  109 - HA2   GLY  109   2.65 +/- 0.26  96.919% * 99.5895% (0.53  10.0   2.20   9.30) =  99.995%  kept
          HN    GLN   90 - HA2   GLY  109  11.31 +/- 3.31   2.290% *  0.1791% (0.95   1.0   0.02   0.02) =   0.004%
          HN    ILE  103 - HA2   GLY  109  18.92 +/- 1.08   0.291% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  19.72 +/- 3.67   0.499% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 4.71, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   2.84 +/- 0.47  97.818% * 99.8788% (0.57  10.0   4.71  65.03) =  99.997%  kept
          HN    VAL   43 - HB    VAL  108  11.55 +/- 1.77   2.182% *  0.1212% (0.69   1.0   0.02   0.02) =   0.003%
    Distance limit 3.26 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.142, support = 3.06, residual support = 7.37:
          HN    GLY  109 - QG1   VAL  108   2.61 +/- 0.32  79.731% * 89.7977% (0.14   3.09   7.45) =  98.983%  kept
          HN    GLN   90 - QG1   VAL  108   7.94 +/- 3.34  18.508% *  3.7237% (0.87   0.02   0.02) =   0.953%  kept
          HN    SER   82 - QG1   VAL  108  14.95 +/- 3.14   0.803% *  2.9488% (0.69   0.02   0.02) =   0.033%
          HN    ILE  103 - QG1   VAL  108  13.04 +/- 1.23   0.728% *  2.9488% (0.69   0.02   0.02) =   0.030%
          HN    GLY   16 - QG1   VAL  108  21.82 +/- 4.38   0.230% *  0.5810% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.0:
          HN    VAL  108 - QG1   VAL  108   3.58 +/- 0.09  95.975% * 99.4661% (0.57   4.52  65.03) =  99.977%  kept
          HN    VAL   43 - QG1   VAL  108  11.14 +/- 1.54   4.025% *  0.5339% (0.69   0.02   0.02) =   0.023%
    Distance limit 4.20 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   2.82 +/- 0.64  94.342% * 99.4085% (0.57   4.08  65.03) =  99.964%  kept
          HN    VAL   43 - QG2   VAL  108   9.48 +/- 1.82   5.658% *  0.5915% (0.69   0.02   0.02) =   0.036%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.808, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.60 +/- 2.43  56.053% * 32.6470% (0.80   0.02   0.02) =  56.225%  kept
          HN    SER   82 - QG2   VAL  108  14.85 +/- 2.64  26.844% * 28.0060% (0.69   0.02   0.02) =  23.099%  kept
          HN    GLY   16 - QG2   VAL  108  20.45 +/- 3.96  17.103% * 39.3470% (0.97   0.02   0.02) =  20.676%  kept
    Distance limit 4.39 A violated in 20 structures by 5.54 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  15.78 +/- 1.98 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.94 A violated in 20 structures by 11.84 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 = 5.83:
          HA    LYS+ 106 - QG2   VAL  108   4.95 +/- 0.10 100.000% *100.0000% (0.28   1.42   5.83) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.85 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.56, residual support = 313.3:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.51 +/- 0.20  82.182% * 93.0951% (0.69  10.0  1.00   6.57 315.09) =  99.369%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   5.68 +/- 0.80   8.916% *  5.3152% (0.18   1.0  1.00   4.48  29.02) =   0.616%  kept
          HB3   PRO   93 - HB3   LYS+ 111   9.27 +/- 2.83   4.278% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 106 - HB3   LYS+ 111  14.56 +/- 3.28   0.652% *  0.3379% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HB3   LYS+ 111  13.95 +/- 3.15   1.528% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HB3   LYS+ 111  15.95 +/- 3.17   0.657% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  15.32 +/- 2.41   0.620% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   LYS+ 111  20.42 +/- 4.70   0.353% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+ 111  18.54 +/- 1.58   0.253% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  20.65 +/- 3.17   0.186% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  24.42 +/- 3.66   0.117% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.06 +/- 3.51   0.091% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  24.48 +/- 3.45   0.108% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.79 +/- 3.26   0.058% *  0.0418% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.314, support = 3.6, residual support = 28.6:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.23 +/- 1.50  48.802% * 88.2493% (0.31  1.00   3.65  29.02) =  98.571%  kept
          QG2   VAL  107 - HB3   LYS+ 111   6.61 +/- 3.00  43.158% *  1.1975% (0.76  1.00   0.02   0.02) =   1.183%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  17.66 +/- 2.22   0.821% *  8.2440% (0.53 10.00   0.02   0.02) =   0.155%  kept
          QG2   THR   94 - HB3   LYS+ 111  10.15 +/- 1.79   4.605% *  0.4357% (0.28  1.00   0.02   0.02) =   0.046%
          HG13  ILE  103 - HB3   LYS+ 111  18.65 +/- 3.19   0.950% *  1.5635% (1.00  1.00   0.02   0.02) =   0.034%
          QB    ALA   20 - HB3   LYS+ 111  19.99 +/- 4.07   1.664% *  0.3101% (0.20  1.00   0.02   0.02) =   0.012%
    Distance limit 3.19 A violated in 0 structures by 0.67 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 315.1:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.77 +/- 0.22  90.958% * 99.9336% (0.97  10.0   6.97 315.09) =  99.997%  kept
          HA    PRO   52 - HB3   LYS+ 111  13.20 +/- 4.72   2.641% *  0.0504% (0.49   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HB3   LYS+ 111   8.54 +/- 2.19   6.401% *  0.0160% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.1:
      O   HN    LYS+ 111 - HB3   LYS+ 111   3.02 +/- 0.60  95.477% * 99.6823% (0.73  10.0   5.50 315.09) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  12.61 +/- 2.83   2.417% *  0.0468% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LYS+ 111  19.56 +/- 3.18   0.624% *  0.0997% (0.73   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   LYS+ 111  15.95 +/- 2.40   1.356% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.36 +/- 3.49   0.127% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.1:
      O   HN    LYS+ 111 - HB2   LYS+ 111   2.99 +/- 0.58  88.055% * 99.5678% (1.00  10.0   7.06 315.09) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  13.07 +/- 2.78   2.296% *  0.0834% (0.84   1.0   0.02   0.02) =   0.002%
          HN    ALA   84 - HB2   LYS+ 111  19.89 +/- 3.46   0.673% *  0.0996% (1.00   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB2   LYS+ 111  16.46 +/- 2.54   0.805% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  11.28 +/- 1.16   2.248% *  0.0146% (0.15   1.0   0.02   1.75) =   0.000%
          HN    LEU   63 - HG3   GLN   30  15.45 +/- 2.48   1.006% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  19.70 +/- 5.37   0.628% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.36 +/- 0.63   3.444% *  0.0031% (0.03   1.0   0.02  19.12) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.06 +/- 3.52   0.092% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.39 +/- 3.10   0.254% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.74 +/- 2.70   0.264% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  25.47 +/- 3.72   0.234% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 314.8:
          HN    LYS+ 111 - HG2   LYS+ 111   3.46 +/- 0.95  91.362% * 94.2786% (0.18   6.52 315.09) =  99.913%  kept
          HZ2   TRP   87 - HG2   LYS+ 111  20.21 +/- 5.05   1.546% *  1.4808% (0.90   0.02   0.02) =   0.027%
          HN    ILE   56 - HG2   LYS+ 111  14.10 +/- 3.22   2.463% *  0.8037% (0.49   0.02   0.02) =   0.023%
          HN    LEU   63 - HG2   LYS+ 111  17.32 +/- 2.59   1.205% *  1.0015% (0.61   0.02   0.02) =   0.014%
          QE    PHE   60 - HG2   LYS+ 111  15.93 +/- 3.70   2.201% *  0.5096% (0.31   0.02   0.02) =   0.013%
          HD21  ASN   28 - HG2   LYS+ 111  25.42 +/- 3.76   0.428% *  1.6366% (0.99   0.02   0.02) =   0.008%
          HN    ALA   84 - HG2   LYS+ 111  19.71 +/- 3.34   0.795% *  0.2892% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.03 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.0:
          HN    LYS+ 111 - HG3   LYS+ 111   3.15 +/- 0.45  80.147% * 98.0214% (0.65   6.55 315.09) =  99.978%  kept
          HN    ILE   56 - HG3   LYS+ 111  14.03 +/- 3.31   1.556% *  0.4466% (0.97   0.02   0.02) =   0.009%
          HN    LEU   63 - HG3   LYS+ 111  17.45 +/- 2.51   0.585% *  0.4617% (1.00   0.02   0.02) =   0.003%
          HN    LEU   63 - HG2   LYS+  74   9.73 +/- 1.92   3.968% *  0.0493% (0.11   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HG2   LYS+  74  13.83 +/- 4.19   7.495% *  0.0186% (0.04   0.02   0.02) =   0.002%
          HN    ALA   84 - HG3   LYS+ 111  19.60 +/- 2.95   0.418% *  0.2993% (0.65   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HG3   LYS+ 111  20.36 +/- 4.54   0.604% *  0.1737% (0.38   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG3   LYS+ 111  25.64 +/- 3.57   0.212% *  0.2620% (0.57   0.02   0.02) =   0.001%
          HN    ILE   56 - HG2   LYS+  74  15.85 +/- 3.49   1.146% *  0.0477% (0.10   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  13.68 +/- 1.87   1.377% *  0.0320% (0.07   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  19.01 +/- 3.57   1.015% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  14.11 +/- 1.21   1.060% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.50 +/- 3.48   0.093% *  0.1154% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.36 +/- 2.19   0.325% *  0.0123% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0871, support = 5.87, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.43 +/- 0.72  88.811% * 91.8182% (0.09   5.89  32.05) =  99.648%  kept
          HN    ASP-  78 - HG3   LYS+ 111  19.52 +/- 4.23   3.933% *  3.6097% (0.99   0.02   0.02) =   0.173%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.16 +/- 1.60   5.178% *  1.6559% (0.11   0.09   0.02) =   0.105%  kept
          HN    VAL   75 - HG3   LYS+ 111  19.03 +/- 2.94   2.078% *  2.9162% (0.80   0.02   0.02) =   0.074%
    Distance limit 3.92 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.73, support = 1.17, residual support = 4.01:
        T HB2   LEU  115 - HA    LYS+ 112   3.05 +/- 0.88  58.747% * 67.9840% (0.76 10.00   0.75   2.54) =  88.003%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.41 +/- 0.60  19.184% * 15.8716% (0.73  1.00   1.84   3.63) =   6.709%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.31 +/- 0.27  15.698% * 15.2334% (0.18  1.00   7.33  29.02) =   5.269%  kept
          HG3   PRO   58 - HA    LYS+ 112  11.01 +/- 1.97   2.457% *  0.1900% (0.80  1.00   0.02   0.02) =   0.010%
          HG2   PRO   68 - HA    LYS+ 112  19.99 +/- 4.22   0.508% *  0.2058% (0.87  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    LYS+ 112  22.08 +/- 4.05   0.478% *  0.1900% (0.80  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  17.88 +/- 3.39   0.895% *  0.0890% (0.38  1.00   0.02   0.02) =   0.002%
          HB    VAL   18 - HA    LYS+ 112  19.41 +/- 4.36   1.132% *  0.0415% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    LYS+ 112  27.53 +/- 4.56   0.307% *  0.0890% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    LYS+ 112  23.47 +/- 4.49   0.390% *  0.0528% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  25.08 +/- 3.52   0.205% *  0.0528% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.835, support = 1.48, residual support = 5.59:
        T QD1   ILE   56 - HA    LYS+ 112   6.11 +/- 3.09  57.051% * 99.6493% (0.84 10.00   1.48   5.59) =  99.940%  kept
          QD2   LEU   73 - HA    LYS+ 112  15.59 +/- 2.90  15.317% *  0.0911% (0.57  1.00   0.02   0.02) =   0.025%
          HG3   LYS+ 121 - HA    LYS+ 112  15.29 +/- 1.09   7.051% *  0.1486% (0.92  1.00   0.02   0.02) =   0.018%
          QD2   LEU  123 - HA    LYS+ 112  11.47 +/- 1.12  17.170% *  0.0448% (0.28  1.00   0.02   0.02) =   0.014%
          HG    LEU   31 - HA    LYS+ 112  22.91 +/- 2.12   3.411% *  0.0662% (0.41  1.00   0.02   0.02) =   0.004%
    Distance limit 3.31 A violated in 8 structures by 2.79 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.912, support = 1.13, residual support = 1.45:
          QD    PHE   55 - HA    LYS+ 112   7.07 +/- 4.28  44.220% * 87.9067% (0.95   1.22   1.59) =  91.130%  kept
          QE    PHE   95 - HA    LYS+ 112   6.51 +/- 2.25  40.546% *  9.0828% (0.57   0.21   0.02) =   8.634%  kept
          HN    THR   23 - HA    LYS+ 112  22.74 +/- 5.32   6.556% *  0.7990% (0.53   0.02   0.02) =   0.123%  kept
          HE3   TRP   27 - HA    LYS+ 112  20.86 +/- 2.82   1.718% *  1.4886% (0.98   0.02   0.02) =   0.060%
          HN    LEU   67 - HA    LYS+ 112  16.73 +/- 3.22   5.306% *  0.3005% (0.20   0.02   0.02) =   0.037%
          HN    LYS+  81 - HA    LYS+ 112  21.67 +/- 3.70   1.654% *  0.4223% (0.28   0.02   0.02) =   0.016%
    Distance limit 3.76 A violated in 4 structures by 1.07 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 238.0:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.77 +/- 0.05  93.178% * 99.7200% (0.92  10.0   5.76 238.04) =  99.997%  kept
          HN    MET   92 - HA    LYS+ 112  12.98 +/- 3.39   4.501% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LYS+ 112  13.16 +/- 2.59   1.596% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  18.61 +/- 3.96   0.667% *  0.0937% (0.87   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LYS+ 112  36.82 +/- 5.52   0.057% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 237.9:
          HN    LYS+ 112 - HG2   LYS+ 112   4.03 +/- 0.56  83.038% * 98.9788% (0.41   6.23 238.04) =  99.936%  kept
          HN    VAL   75 - HG2   LYS+ 112  16.40 +/- 4.95  13.316% *  0.2384% (0.31   0.02   0.02) =   0.039%
          HN    ASP-  78 - HG2   LYS+ 112  18.52 +/- 5.58   3.427% *  0.5902% (0.76   0.02   0.02) =   0.025%
          HN    MET   11 - HG2   LYS+ 112  36.97 +/- 6.90   0.219% *  0.1926% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.788, support = 0.957, residual support = 1.68:
          QE    PHE   59 - HG2   LYS+ 112   6.62 +/- 1.48  45.701% * 60.2387% (0.90   1.02   1.97) =  74.480%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.22 +/- 3.79  26.092% * 27.4712% (0.45   0.93   0.52) =  19.391%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.95 +/- 1.56  20.252% * 10.8409% (0.53   0.31   1.97) =   5.940%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.27 +/- 3.39   5.209% *  1.2182% (0.92   0.02   0.02) =   0.172%  kept
          HN    LYS+  81 - HG2   LYS+ 112  22.49 +/- 5.03   2.746% *  0.2311% (0.18   0.02   0.02) =   0.017%
    Distance limit 4.17 A violated in 11 structures by 1.72 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.6, residual support = 237.9:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.36 +/- 0.33  94.430% * 93.9398% (0.20  10.0 10.00   4.60 238.04) =  99.923%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.66 +/- 2.19   1.332% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.071%
          HB3   PHE   45 - HG2   LYS+ 112  14.22 +/- 3.44   3.489% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HG2   LYS+ 112  22.40 +/- 4.55   0.351% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG2   LYS+ 112  17.82 +/- 2.38   0.288% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  29.39 +/- 4.65   0.066% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.09 +/- 4.33   0.044% *  0.2128% (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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.64, residual support = 237.6:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.94 +/- 0.45  91.150% * 93.9398% (0.20  10.0 10.00   4.65 238.04) =  99.805%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  12.43 +/- 2.46   3.393% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.186%  kept
          HB3   PHE   45 - HG3   LYS+ 112  14.66 +/- 3.40   4.255% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.005%
          HG3   MET   96 - HG3   LYS+ 112  18.29 +/- 2.30   0.617% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG3   LYS+ 112  22.80 +/- 4.37   0.324% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG3   LYS+ 112  30.09 +/- 4.78   0.162% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  32.78 +/- 4.37   0.098% *  0.2128% (0.45   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 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.682, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HG3   LYS+ 112   8.48 +/- 2.34  58.795% *  6.9459% (0.28   0.02   0.02) =  33.068%  kept
          HD2   HIS   22 - HG3   LYS+ 112  24.91 +/- 8.03  13.065% * 24.9820% (1.00   0.02   0.02) =  26.429%  kept
          HD1   TRP   49 - HG3   LYS+ 112  16.53 +/- 4.03  11.446% * 24.1093% (0.97   0.02   0.02) =  22.345%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.76 +/- 3.58   8.307% * 17.1603% (0.69   0.02   0.02) =  11.542%  kept
          HN    THR   23 - HG3   LYS+ 112  24.02 +/- 6.77   6.890% *  7.7106% (0.31   0.02   0.02) =   4.302%  kept
          HD21  ASN   35 - HG3   LYS+ 112  30.50 +/- 3.33   1.497% * 19.0919% (0.76   0.02   0.02) =   2.314%  kept
    Distance limit 4.30 A violated in 18 structures by 3.82 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 237.9:
          HN    LYS+ 112 - HG3   LYS+ 112   3.55 +/- 0.54  89.909% * 98.9260% (0.41   5.93 238.04) =  99.958%  kept
          HN    ASP-  78 - HG3   LYS+ 112  19.09 +/- 5.49   3.168% *  0.6207% (0.76   0.02   0.02) =   0.022%
          HN    VAL   75 - HG3   LYS+ 112  17.12 +/- 4.97   6.756% *  0.2507% (0.31   0.02   0.02) =   0.019%
          HN    MET   11 - HG3   LYS+ 112  37.64 +/- 7.09   0.167% *  0.2025% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.83, residual support = 238.0:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.15  95.014% * 95.1769% (0.20  10.0  1.00   3.83 238.04) =  99.973%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.83 +/- 2.82   2.444% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.013%
        T HG3   MET   96 - HD2   LYS+ 112  18.63 +/- 2.66   0.288% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.011%
          HB3   PHE   45 - HD2   LYS+ 112  14.73 +/- 3.79   1.941% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HD2   LYS+ 112  22.87 +/- 4.84   0.197% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  29.94 +/- 4.92   0.071% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  32.87 +/- 4.20   0.045% *  0.2156% (0.45   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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 238.0:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.76 +/- 0.23  94.792% * 99.7845% (0.85  10.0   5.70 238.04) =  99.994%  kept
          QB    ALA   47 - HD3   LYS+ 112  12.25 +/- 3.12   3.330% *  0.1053% (0.89   1.0   0.02   0.02) =   0.004%
          QG1   VAL   42 - HD3   LYS+ 112  12.91 +/- 2.63   1.878% *  0.1103% (0.94   1.0   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 238.0:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.36 +/- 0.15  95.162% * 98.0934% (0.19  10.0   3.30 238.04) =  99.981%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.82 +/- 2.79   3.028% *  0.4913% (0.94   1.0   0.02   0.02) =   0.016%
          HB3   PHE   45 - HD3   LYS+ 112  14.83 +/- 3.71   1.237% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HG3   MET   96 - HD3   LYS+ 112  18.38 +/- 2.94   0.269% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  22.94 +/- 4.69   0.189% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  29.90 +/- 4.75   0.071% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.75 +/- 4.24   0.043% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.6, residual support = 238.0:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.36 +/- 0.33  85.425% * 99.5374% (0.75  10.0 10.00   4.60 238.04) =  99.989%  kept
          QB    ALA   47 - QE    LYS+ 112  10.33 +/- 2.62   2.571% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.66 +/- 2.19   1.206% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - QE    LYS+ 112  11.16 +/- 2.62   1.599% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   42 - HB3   ASP-  62   8.35 +/- 2.67   7.430% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   47 - HB3   ASP-  62  11.42 +/- 3.48   1.769% *  0.0215% (0.16   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 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.421, support = 1.04, residual support = 5.26:
          QD1   ILE   56 - QE    LYS+ 112   4.94 +/- 1.99  30.197% * 75.4997% (0.44   1.09   5.59) =  94.089%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.27 +/- 1.32  10.874% *  4.6508% (0.09   0.33   0.02) =   2.087%  kept
          QG2   THR   46 - HB3   ASP-  62   7.74 +/- 3.95  21.092% *  1.6617% (0.05   0.20   0.02) =   1.446%  kept
          QG2   VAL   18 - HB3   ASP-  62   9.43 +/- 2.84   6.637% *  3.1406% (0.07   0.28   0.02) =   0.860%  kept
          QG2   THR   46 - QE    LYS+ 112   9.35 +/- 2.73  11.866% *  0.8107% (0.26   0.02   0.02) =   0.397%  kept
          QG2   VAL   18 - QE    LYS+ 112  14.20 +/- 3.92   8.761% *  1.0798% (0.34   0.02   0.02) =   0.390%  kept
          QG1   VAL   43 - HB3   ASP-  62  11.27 +/- 2.49   1.789% *  3.3606% (0.11   0.19   0.02) =   0.248%  kept
          QD2   LEU   73 - QE    LYS+ 112  14.50 +/- 3.25   1.899% *  2.1032% (0.67   0.02   0.02) =   0.165%  kept
          QG1   VAL   43 - QE    LYS+ 112  13.27 +/- 2.48   1.938% *  1.6991% (0.54   0.02   0.02) =   0.136%  kept
          QG1   VAL   41 - QE    LYS+ 112  16.98 +/- 2.83   0.766% *  2.1939% (0.70   0.02   0.02) =   0.069%
          HG    LEU   31 - QE    LYS+ 112  21.20 +/- 3.20   0.412% *  2.4246% (0.77   0.02   0.02) =   0.041%
          QD2   LEU   73 - HB3   ASP-  62  10.86 +/- 1.97   1.924% *  0.4303% (0.14   0.02   0.02) =   0.034%
          HG    LEU   31 - HB3   ASP-  62  17.39 +/- 2.89   0.942% *  0.4961% (0.16   0.02   0.02) =   0.019%
          QG1   VAL   41 - HB3   ASP-  62  13.95 +/- 2.18   0.905% *  0.4489% (0.14   0.02   0.02) =   0.017%
    Distance limit 3.78 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.64, residual support = 236.4:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.94 +/- 0.45  69.402% * 94.8050% (0.81  10.0 10.00   4.65 238.04) =  99.151%  kept
          HG    LEU   63 - HB3   ASP-  62   6.11 +/- 1.02  13.324% *  4.0991% (0.15   1.0  1.00   4.55  42.38) =   0.823%  kept
          HG    LEU   63 - QE    LYS+ 112  11.44 +/- 3.62   8.147% *  0.0881% (0.75   1.0  1.00   0.02   0.02) =   0.011%
        T HG3   LYS+ 112 - HB3   ASP-  62  12.43 +/- 2.46   2.457% *  0.1940% (0.16   1.0 10.00   0.02   0.02) =   0.007%
        T QG2   VAL   24 - QE    LYS+ 112  18.18 +/- 3.76   0.596% *  0.7508% (0.64   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL  108 - QE    LYS+ 112  11.32 +/- 1.60   1.976% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB3   ASP-  62  16.01 +/- 3.75   1.572% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.31 +/- 3.06   0.698% *  0.0152% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.77 +/- 3.11   1.304% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.08 +/- 3.13   0.525% *  0.0031% (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 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.511, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   7.82 +/- 1.94  21.303% * 59.7816% (0.51 10.00   0.02   0.02) =  80.877%  kept
          HG13  ILE  119 - QE    LYS+ 112   7.53 +/- 2.31  23.450% *  6.3761% (0.54  1.00   0.02   0.02) =   9.495%  kept
          QB    ALA   20 - QE    LYS+ 112  15.96 +/- 4.58   6.750% *  9.8344% (0.83  1.00   0.02   0.02) =   4.215%  kept
          HG13  ILE  119 - HB3   ASP-  62   8.30 +/- 1.65  17.868% *  1.3045% (0.11  1.00   0.02   0.02) =   1.480%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.84 +/- 1.73   2.290% *  8.2327% (0.70  1.00   0.02   0.02) =   1.197%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.12 +/- 2.67  13.669% *  1.2231% (0.10  1.00   0.02   0.02) =   1.062%  kept
          QB    ALA   20 - HB3   ASP-  62  12.09 +/- 1.66   5.535% *  2.0121% (0.17  1.00   0.02   0.02) =   0.707%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  14.49 +/- 1.92   2.995% *  1.6844% (0.14  1.00   0.02   0.02) =   0.320%  kept
          HB3   LEU   31 - QE    LYS+ 112  22.19 +/- 3.32   0.760% *  5.9782% (0.51  1.00   0.02   0.02) =   0.288%  kept
          HG13  ILE  103 - QE    LYS+ 112  18.63 +/- 2.67   1.305% *  1.9506% (0.17  1.00   0.02   0.02) =   0.162%  kept
          HB3   LEU   31 - HB3   ASP-  62  18.72 +/- 2.56   1.755% *  1.2231% (0.10  1.00   0.02   0.02) =   0.136%  kept
          HG13  ILE  103 - HB3   ASP-  62  18.37 +/- 3.79   2.319% *  0.3991% (0.03  1.00   0.02   0.02) =   0.059%
    Distance limit 3.20 A violated in 17 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 0.61, residual support = 1.34:
          QD    PHE   55 - QE    LYS+ 112   5.48 +/- 3.12  30.485% * 65.2973% (0.72   0.69   1.59) =  84.060%  kept
          QE    PHE   95 - QE    LYS+ 112   7.32 +/- 2.68  14.842% * 20.7520% (0.82   0.19   0.02) =  13.007%  kept
          QE    PHE   95 - HB3   ASP-  62   7.32 +/- 3.93  19.814% *  2.1520% (0.17   0.10   0.02) =   1.801%  kept
          HN    LEU   67 - QE    LYS+ 112  14.76 +/- 3.35   4.963% *  1.4064% (0.54   0.02   0.02) =   0.295%  kept
          HN    THR   23 - HB3   ASP-  62  16.78 +/- 3.75   1.432% *  4.1973% (0.16   0.20   0.02) =   0.254%  kept
          QD    PHE   55 - HB3   ASP-  62  11.36 +/- 1.83   7.804% *  0.3858% (0.15   0.02   0.02) =   0.127%  kept
          HN    LEU   67 - HB3   ASP-  62   7.68 +/- 0.97   9.207% *  0.2877% (0.11   0.02   0.02) =   0.112%  kept
          HD1   TRP   49 - QE    LYS+ 112  14.18 +/- 3.28   3.664% *  0.6710% (0.26   0.02   0.02) =   0.104%  kept
          HN    THR   23 - QE    LYS+ 112  20.40 +/- 6.00   1.169% *  2.0980% (0.81   0.02   0.02) =   0.104%  kept
          HE3   TRP   27 - QE    LYS+ 112  19.19 +/- 4.07   1.044% *  1.7408% (0.67   0.02   0.02) =   0.077%
          HD2   HIS   22 - QE    LYS+ 112  21.18 +/- 6.99   1.827% *  0.4302% (0.17   0.02   0.02) =   0.033%
          HE3   TRP   27 - HB3   ASP-  62  14.89 +/- 2.74   0.933% *  0.3562% (0.14   0.02   0.02) =   0.014%
          HD1   TRP   49 - HB3   ASP-  62  16.18 +/- 4.04   1.391% *  0.1373% (0.05   0.02   0.02) =   0.008%
          HD2   HIS   22 - HB3   ASP-  62  17.39 +/- 3.94   1.425% *  0.0880% (0.03   0.02   0.02) =   0.005%
    Distance limit 3.87 A violated in 2 structures by 0.30 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 3.49, residual support = 23.6:
          HN    GLU- 114 - QB    ASP- 113   2.75 +/- 0.35  80.465% * 74.6499% (0.84   3.63  24.77) =  94.727%  kept
          HN    GLN  116 - QB    ASP- 113   5.12 +/- 0.24  14.108% * 23.1773% (0.98   0.96   1.93) =   5.157%  kept
          HN    THR  118 - QB    ASP- 113   7.76 +/- 0.75   4.223% *  1.6739% (0.80   0.09   0.02) =   0.111%  kept
          HN    PHE   60 - QB    ASP- 113  12.96 +/- 1.36   0.991% *  0.2784% (0.57   0.02   0.02) =   0.004%
          HN    LEU   71 - QB    ASP- 113  21.82 +/- 3.14   0.213% *  0.2205% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.16 +/- 0.15  98.916% * 99.9821% (0.98  10.0   3.46  14.38) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  13.61 +/- 3.07   1.084% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.442, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   9.12 +/- 1.59  67.747% * 39.4133% (0.41 10.00   0.02   0.02) =  86.157%  kept
        T HB3   LYS+  99 - HA    ASP- 113  22.79 +/- 3.08   5.611% * 50.4393% (0.53 10.00   0.02   0.02) =   9.131%  kept
          HB    ILE   89 - HA    ASP- 113  18.70 +/- 3.29  14.758% *  8.8499% (0.92  1.00   0.02   0.02) =   4.214%  kept
          HB    VAL   43 - HA    ASP- 113  18.86 +/- 2.53  11.884% *  1.2975% (0.14  1.00   0.02   0.02) =   0.498%  kept
    Distance limit 3.74 A violated in 20 structures by 5.22 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 4.59, residual support = 51.4:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.05  35.308% * 52.2683% (0.84  10.0   3.79  42.70) =  73.263%  kept
      O   HN    GLN  116 - HA    LEU  115   3.59 +/- 0.05  17.189% * 28.2282% (0.45  10.0   7.89 102.28) =  19.262%  kept
          HN    GLN  116 - HA    GLU- 114   4.27 +/- 0.49  11.303% * 12.6841% (0.98   1.0   4.14   1.98) =   5.692%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.15   6.227% *  5.4303% (0.38   1.0   4.52  21.36) =   1.342%  kept
          HN    THR  118 - HA    GLU- 114   5.17 +/- 0.92   9.079% *  0.9313% (0.80   1.0   0.37   0.02) =   0.336%  kept
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.33  18.668% *  0.1202% (0.37   1.0   0.10   0.10) =   0.089%
          HN    PHE   60 - HA    LEU  115   9.42 +/- 1.42   1.398% *  0.2611% (0.26   1.0   0.32   0.02) =   0.014%
          HN    PHE   60 - HA    GLU- 114  13.43 +/- 1.25   0.366% *  0.0354% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  18.87 +/- 2.99   0.343% *  0.0129% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  22.38 +/- 3.13   0.118% *  0.0281% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.655, support = 6.27, residual support = 121.2:
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.06  27.398% * 65.9472% (0.90  10.0   4.82  21.36) =  50.201%  kept
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.05  57.992% * 30.3497% (0.41  10.0   7.81 225.45) =  48.902%  kept
          HN    ASP- 113 - HA    GLU- 114   5.20 +/- 0.13   8.943% *  3.5974% (0.28   1.0   3.52  24.77) =   0.894%  kept
          HN    ASP- 113 - HA    LEU  115   6.78 +/- 0.29   4.066% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  14.49 +/- 2.77   0.543% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  12.34 +/- 3.67   1.058% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 4.19, residual support = 41.3:
      O   HN    GLU- 114 - QB    GLU- 114   2.35 +/- 0.25  80.458% * 75.7195% (0.81  10.0   4.19  42.70) =  96.458%  kept
          HN    GLN  116 - QB    GLU- 114   5.02 +/- 0.33   9.232% * 21.1440% (0.95   1.0   4.76   1.98) =   3.091%  kept
          HN    THR  118 - QB    GLU- 114   5.66 +/- 0.87   9.354% *  3.0445% (0.77   1.0   0.84   0.02) =   0.451%  kept
          HN    PHE   60 - QB    GLU- 114  12.32 +/- 1.40   0.685% *  0.0513% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  19.89 +/- 3.00   0.270% *  0.0406% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.829, support = 5.4, residual support = 21.6:
          HN    LEU  115 - QB    GLU- 114   3.31 +/- 0.31  71.671% * 84.5724% (0.87   5.54  21.36) =  93.822%  kept
          HN    ASP- 113 - QB    GLU- 114   4.69 +/- 0.34  26.355% * 15.1224% (0.27   3.20  24.77) =   6.169%  kept
          HN    PHE   97 - QB    GLU- 114  12.43 +/- 2.19   1.974% *  0.3052% (0.87   0.02   0.02) =   0.009%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.863, support = 4.34, residual support = 33.8:
          HN    GLU- 114 - QG    GLU- 114   2.54 +/- 0.55  68.971% * 46.8166% (0.83   4.48  42.70) =  78.207%  kept
          HN    GLN  116 - QG    GLU- 114   4.49 +/- 0.43  17.367% * 49.1477% (0.98   4.01   1.98) =  20.673%  kept
          HN    THR  118 - QG    GLU- 114   5.47 +/- 0.93  12.167% *  3.7820% (0.80   0.38   0.02) =   1.114%  kept
          HN    PHE   60 - QG    GLU- 114  11.11 +/- 1.71   1.264% *  0.1416% (0.56   0.02   0.02) =   0.004%
          HN    LEU   71 - QG    GLU- 114  18.85 +/- 3.06   0.232% *  0.1121% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.95, residual support = 21.4:
          HN    LEU  115 - QG    GLU- 114   2.34 +/- 0.68  98.016% * 98.5802% (0.45   5.95  21.36) =  99.993%  kept
          HN    PHE   97 - QG    GLU- 114  11.76 +/- 2.06   1.762% *  0.3314% (0.45   0.02   0.02) =   0.006%
          HN    ASN   35 - QG    GLU- 114  24.22 +/- 1.94   0.160% *  0.3890% (0.52   0.02   0.02) =   0.001%
          HN    ALA   12 - QG    GLU- 114  31.74 +/- 4.83   0.062% *  0.6993% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.926, support = 1.6, residual support = 3.72:
          QG1   VAL  107 - QG    GLU- 114   4.12 +/- 1.97  57.655% * 50.7305% (0.98   1.62   3.82) =  68.479%  kept
          HD3   LYS+ 112 - QG    GLU- 114   6.52 +/- 1.68  30.969% * 41.9994% (0.83   1.57   3.63) =  30.453%  kept
          HG13  ILE  119 - QG    GLU- 114   8.24 +/- 0.97   6.833% *  6.4089% (0.22   0.90   0.10) =   1.025%  kept
          QG1   VAL   24 - QG    GLU- 114  17.99 +/- 3.35   2.716% *  0.5899% (0.92   0.02   0.02) =   0.038%
          QG2   VAL   24 - QG    GLU- 114  17.67 +/- 2.76   1.456% *  0.1119% (0.17   0.02   0.02) =   0.004%
          HB3   LEU   31 - QG    GLU- 114  21.13 +/- 2.21   0.373% *  0.1594% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.43 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 0.978, residual support = 3.72:
        T QG2   VAL  107 - QB    GLU- 114   5.19 +/- 1.85  56.774% * 91.9033% (0.59 10.00   0.99   3.82) =  97.326%  kept
          HG13  ILE  119 - QB    GLU- 114   8.99 +/- 1.02  18.799% *  7.2857% (0.62  1.00   0.73   0.10) =   2.555%  kept
          QB    ALA   20 - QB    GLU- 114  18.22 +/- 3.93  13.565% *  0.3068% (0.96  1.00   0.02   0.02) =   0.078%
          HG2   LYS+ 121 - QB    GLU- 114  12.56 +/- 1.75   7.360% *  0.2568% (0.81  1.00   0.02   0.02) =   0.035%
          HB3   LEU   31 - QB    GLU- 114  22.00 +/- 2.54   1.066% *  0.1865% (0.59  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - QB    GLU- 114  15.49 +/- 2.67   2.435% *  0.0608% (0.19  1.00   0.02   0.02) =   0.003%
    Distance limit 3.11 A violated in 10 structures by 1.91 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.908, support = 6.52, residual support = 219.0:
      O T HA    LEU  115 - HB3   LEU  115   2.37 +/- 0.21  86.395% * 66.5643% (0.92  10.0 10.00   6.61 225.45) =  96.846%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.23 +/- 0.36   5.774% * 32.3284% (0.45   1.0 10.00   3.79  21.36) =   3.144%  kept
        T HA    ARG+  54 - HB3   LEU  115  11.80 +/- 1.35   0.803% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LEU  115 - HB3   LEU   40  18.39 +/- 2.64   0.334% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.64 +/- 1.18   2.473% *  0.0068% (0.09   1.0  1.00   0.02   0.40) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.42 +/- 0.97   0.247% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.32 +/- 4.04   0.158% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.75 +/- 2.47   0.110% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  21.19 +/- 2.56   0.186% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  23.36 +/- 1.69   0.099% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  12.43 +/- 4.52   1.118% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  24.06 +/- 2.73   0.095% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  19.64 +/- 2.90   0.184% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  15.20 +/- 2.17   0.457% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  18.25 +/- 2.30   0.244% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  20.86 +/- 8.48   0.477% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.23 +/- 3.62   0.104% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.82 +/- 0.77   0.597% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  29.09 +/- 1.72   0.051% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  24.07 +/- 2.13   0.092% *  0.0026% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.39, residual support = 225.4:
      O T QD1   LEU  115 - HB3   LEU  115   2.46 +/- 0.27  96.821% * 99.7570% (0.87  10.0 10.00   6.39 225.45) =  99.997%  kept
          QG1   VAL   75 - HB3   LEU  115  11.17 +/- 1.93   1.524% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  115 - HB3   LEU   40  15.47 +/- 2.14   0.596% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  12.84 +/- 1.81   1.058% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.48, residual support = 224.9:
      O T QD2   LEU  115 - HB3   LEU  115   2.72 +/- 0.46  55.349% * 96.9521% (0.45  10.0 10.00   7.49 225.45) =  99.719%  kept
          QG2   VAL   41 - HB3   LEU   40   6.03 +/- 0.57   6.755% *  1.9823% (0.04   1.0  1.00   4.16  20.77) =   0.249%  kept
          QD1   LEU   63 - HB3   LEU  115   9.73 +/- 2.89   3.040% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - HB3   LEU  115  10.01 +/- 2.66   2.600% *  0.1996% (0.92   1.0  1.00   0.02   0.02) =   0.010%
          QD1   LEU   73 - HB3   LEU  115  15.04 +/- 3.08   0.707% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   LEU   40   9.64 +/- 2.33   5.196% *  0.0234% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU  115  16.93 +/- 3.22   0.887% *  0.0889% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HB3   LEU   40  15.26 +/- 2.45   0.549% *  0.1137% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   7.07 +/- 3.66  10.624% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40   7.90 +/- 2.93   8.039% *  0.0056% (0.03   1.0  1.00   0.02   9.16) =   0.001%
          QD1   LEU   63 - HB3   LEU   40  10.31 +/- 2.32   1.971% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB3   LEU  115  16.78 +/- 3.42   0.754% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.29 +/- 2.10   1.764% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  16.00 +/- 1.29   0.328% *  0.0812% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  14.43 +/- 2.42   0.509% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  15.42 +/- 2.19   0.383% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  17.95 +/- 2.95   0.273% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  18.35 +/- 3.62   0.274% *  0.0056% (0.03   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 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.951, support = 7.56, residual support = 87.9:
          HN    GLN  116 - HB3   LEU  115   3.97 +/- 0.50  40.710% * 67.4242% (0.98   8.52 102.28) =  83.526%  kept
          HN    GLU- 114 - HB3   LEU  115   5.48 +/- 0.58  16.582% * 22.4499% (0.84   3.33  21.36) =  11.328%  kept
          HN    THR  118 - HB3   LEU  115   5.40 +/- 0.38  18.434% *  8.0523% (0.80   1.25   0.10) =   4.517%  kept
          HN    LEU   71 - HB3   LEU   40   5.96 +/- 0.94  14.750% *  1.0076% (0.05   2.37   1.92) =   0.452%  kept
          HN    PHE   60 - HB3   LEU  115   8.40 +/- 1.37   6.143% *  0.9333% (0.57   0.20   0.02) =   0.174%  kept
          HN    LEU   71 - HB3   LEU  115  18.61 +/- 2.34   0.463% *  0.0724% (0.45   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   40  15.61 +/- 3.64   1.611% *  0.0107% (0.07   0.02   0.02) =   0.001%
          HN    THR  118 - HB3   LEU   40  18.21 +/- 4.02   0.622% *  0.0152% (0.09   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  19.75 +/- 2.43   0.392% *  0.0186% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  21.54 +/- 2.19   0.293% *  0.0158% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 7.51, residual support = 225.1:
      O   HN    LEU  115 - HB3   LEU  115   3.06 +/- 0.45  85.273% * 98.4579% (0.90  10.0   7.52 225.45) =  99.833%  kept
          HN    ASP- 113 - HB3   LEU  115   6.45 +/- 0.86   9.763% *  1.4169% (0.28   1.0   0.93   0.02) =   0.164%  kept
          HN    PHE   97 - HB3   LEU  115  12.95 +/- 3.07   1.881% *  0.0985% (0.90   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HB3   LEU   40  11.16 +/- 2.56   2.450% *  0.0116% (0.11   1.0   0.02   1.33) =   0.000%
          HN    LEU  115 - HB3   LEU   40  19.97 +/- 1.96   0.352% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.41 +/- 2.82   0.282% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.54:
        T HA    LYS+ 112 - HB2   LEU  115   3.05 +/- 0.88  81.416% * 99.6055% (0.69 10.00   0.75   2.54) =  99.970%  kept
          HB2   HIS   22 - HB2   LEU  115  22.88 +/- 6.25  10.322% *  0.1590% (0.41  1.00   0.02   0.02) =   0.020%
          HB    THR   46 - HB2   LEU  115  10.83 +/- 2.64   6.429% *  0.0765% (0.20  1.00   0.02   0.02) =   0.006%
          HB2   HIS  122 - HB2   LEU  115  12.99 +/- 0.79   1.833% *  0.1590% (0.41  1.00   0.02   0.02) =   0.004%
    Distance limit 3.77 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 = 0.933, support = 1.76, residual support = 6.6:
          QE    PHE   95 - HB2   LEU  115   5.20 +/- 3.19  52.406% * 43.3662% (0.98   1.50   7.63) =  59.234%  kept
          QD    PHE   55 - HB2   LEU  115   7.74 +/- 3.46  28.368% * 54.9118% (0.87   2.15   5.13) =  40.601%  kept
          HN    LEU   67 - HB2   LEU  115  15.42 +/- 2.95   9.832% *  0.3816% (0.65   0.02   0.02) =   0.098%
          HN    THR   23 - HB2   LEU  115  21.72 +/- 4.35   1.671% *  0.5693% (0.97   0.02   0.02) =   0.025%
          HD1   TRP   49 - HB2   LEU  115  15.89 +/- 2.73   3.982% *  0.1821% (0.31   0.02   0.02) =   0.019%
          HE3   TRP   27 - HB2   LEU  115  19.63 +/- 1.88   1.334% *  0.4724% (0.80   0.02   0.02) =   0.016%
          HD2   HIS   22 - HB2   LEU  115  22.90 +/- 5.81   2.409% *  0.1167% (0.20   0.02   0.02) =   0.007%
    Distance limit 3.73 A violated in 3 structures by 0.61 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 7.2, residual support = 94.2:
          HN    GLN  116 - HB2   LEU  115   3.46 +/- 0.53  55.351% * 80.4723% (0.80   7.57 102.28) =  90.086%  kept
          HN    GLU- 114 - HB2   LEU  115   4.61 +/- 0.43  26.227% * 18.0610% (0.34   3.99  21.36) =   9.580%  kept
          HN    THR  118 - HB2   LEU  115   5.73 +/- 0.36  13.850% *  1.1067% (0.98   0.09   0.10) =   0.310%  kept
          HN    PHE   60 - HB2   LEU  115   8.84 +/- 1.52   4.424% *  0.2604% (0.98   0.02   0.02) =   0.023%
          HN    GLU-  15 - HB2   LEU  115  26.72 +/- 3.28   0.149% *  0.0997% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.34, residual support = 224.9:
      O   HN    LEU  115 - HB2   LEU  115   2.31 +/- 0.37  91.285% * 96.9886% (0.90  10.0   7.35 225.45) =  99.741%  kept
          HN    ASP- 113 - HB2   LEU  115   5.42 +/- 0.69   7.865% *  2.9144% (0.28   1.0   1.94   0.02) =   0.258%  kept
          HN    PHE   97 - HB2   LEU  115  13.37 +/- 2.71   0.851% *  0.0970% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.17 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 = 0.609, support = 6.38, residual support = 78.0:
      O   HN    GLN  116 - HA    LEU  115   3.59 +/- 0.05  16.612% * 66.5521% (0.82  10.0   7.89 102.28) =  62.757%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.05  34.122% * 15.5167% (0.19  10.0   3.79  42.70) =  30.055%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.15   6.018% * 12.8028% (0.70   1.0   4.52  21.36) =   4.374%  kept
          HN    GLN  116 - HA    GLU- 114   4.27 +/- 0.49  10.918% *  3.7655% (0.22   1.0   4.14   1.98) =   2.334%  kept
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.33  18.040% *  0.2835% (0.67   1.0   0.10   0.10) =   0.290%  kept
          HN    THR  118 - HA    GLU- 114   5.17 +/- 0.92   8.780% *  0.2765% (0.18   1.0   0.37   0.02) =   0.138%  kept
          HN    PHE   60 - HA    LEU  115   9.42 +/- 1.42   1.353% *  0.6155% (0.47   1.0   0.32   0.02) =   0.047%
          HN    PHE   60 - HA    ARG+  54   8.24 +/- 1.66   2.215% *  0.0216% (0.27   1.0   0.02   0.02) =   0.003%
          HN    GLN  116 - HA    ARG+  54  12.96 +/- 1.33   0.405% *  0.0373% (0.46   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  14.58 +/- 2.08   0.380% *  0.0305% (0.37   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  18.87 +/- 2.99   0.332% *  0.0304% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  14.88 +/- 1.12   0.248% *  0.0318% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  13.43 +/- 1.25   0.354% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  20.58 +/- 2.80   0.110% *  0.0171% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  22.38 +/- 3.13   0.114% *  0.0083% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.686, support = 7.46, residual support = 201.7:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.05  57.270% * 77.4348% (0.75  10.0   7.81 225.45) =  88.369%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.06  27.057% * 21.1866% (0.20  10.0   4.82  21.36) =  11.423%  kept
          HN    ASP- 113 - HA    GLU- 114   5.20 +/- 0.13   8.832% *  1.1557% (0.06   1.0   3.52  24.77) =   0.203%  kept
          HN    ASP- 113 - HA    LEU  115   6.78 +/- 0.29   4.015% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HA    LEU  115  12.34 +/- 3.67   1.045% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  13.40 +/- 0.91   0.533% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  14.49 +/- 2.77   0.536% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.93 +/- 2.56   0.199% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.93 +/- 1.39   0.513% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 7.4, residual support = 223.7:
          HN    LEU  115 - HG    LEU  115   3.52 +/- 0.92  72.675% * 95.4965% (0.78   7.45 225.45) =  99.244%  kept
          HN    ASP- 113 - HG    LEU  115   6.13 +/- 1.57  14.649% *  2.7978% (0.24   0.70   0.02) =   0.586%  kept
          HN    PHE   97 - HG    LEU   40   9.72 +/- 2.76   8.303% *  1.3353% (0.26   0.31   1.33) =   0.159%  kept
          HN    PHE   97 - HG    LEU  115  13.80 +/- 3.18   2.796% *  0.2564% (0.78   0.02   0.02) =   0.010%
          HN    LEU  115 - HG    LEU   40  18.31 +/- 1.76   0.865% *  0.0871% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  20.81 +/- 2.67   0.712% *  0.0270% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115  10.41 +/- 1.57 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.91 A violated in 20 structures by 6.50 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.796, support = 1.79, residual support = 6.1:
          QD    PHE   55 - QD1   LEU  115   5.62 +/- 2.88  35.928% * 67.7311% (0.95   1.97   5.13) =  60.755%  kept
          QE    PHE   95 - QD1   LEU  115   4.27 +/- 3.25  50.880% * 30.8297% (0.57   1.50   7.63) =  39.163%  kept
          HN    LEU   67 - QD1   LEU  115  12.05 +/- 2.15   8.658% *  0.1437% (0.20   0.02   0.02) =   0.031%
          HE3   TRP   27 - QD1   LEU  115  15.80 +/- 1.91   1.610% *  0.7117% (0.98   0.02   0.02) =   0.029%
          HN    THR   23 - QD1   LEU  115  17.42 +/- 3.82   1.774% *  0.3820% (0.53   0.02   0.02) =   0.017%
          HN    LYS+  81 - QD1   LEU  115  17.50 +/- 2.90   1.151% *  0.2019% (0.28   0.02   0.02) =   0.006%
    Distance limit 3.18 A violated in 1 structures by 0.37 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.46, residual support = 29.8:
          QD    PHE   59 - QD1   LEU  115   3.10 +/- 0.68  89.291% * 98.7147% (0.95   4.46  29.78) =  99.951%  kept
          HH2   TRP   49 - QD1   LEU  115  11.73 +/- 3.28   8.845% *  0.3909% (0.84   0.02   0.02) =   0.039%
          HE21  GLN   30 - QD1   LEU  115  17.03 +/- 2.53   1.040% *  0.4517% (0.97   0.02   0.02) =   0.005%
          HD1   TRP   27 - QD1   LEU  115  17.49 +/- 2.52   0.824% *  0.4427% (0.95   0.02   0.02) =   0.004%
    Distance limit 3.53 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 = 0.836, support = 1.45, residual support = 7.61:
          QD    PHE   95 - QD2   LEU  115   5.40 +/- 2.76  71.984% * 99.5599% (0.84   1.45   7.63) =  99.828%  kept
          HN    ALA   47 - QD2   LEU  115   9.93 +/- 2.39  28.016% *  0.4401% (0.27   0.02   0.02) =   0.172%  kept
    Distance limit 3.51 A violated in 7 structures by 1.66 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.84, residual support = 29.8:
          QE    PHE   59 - QD2   LEU  115   2.32 +/- 0.52  80.652% * 82.6738% (0.89   2.92  29.78) =  96.605%  kept
          HN    PHE   59 - QD2   LEU  115   4.95 +/- 0.88  14.078% * 16.5452% (0.93   0.56  29.78) =   3.375%  kept
          HN    HIS  122 - QD2   LEU  115   7.91 +/- 0.74   3.703% *  0.2752% (0.43   0.02   0.02) =   0.015%
          HN    LYS+  66 - QD2   LEU  115  11.39 +/- 1.99   1.140% *  0.2752% (0.43   0.02   0.02) =   0.005%
          HH2   TRP   87 - QD2   LEU  115  16.52 +/- 2.20   0.427% *  0.2304% (0.36   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.97, residual support = 15.9:
        T QD1   ILE  119 - HA    GLN  116   2.95 +/- 0.86  87.545% * 99.5742% (0.61 10.00   3.97  15.85) =  99.992%  kept
          QD1   LEU   67 - HA    GLN  116  14.12 +/- 2.88   3.053% *  0.0560% (0.34  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - HA    GLN  116  15.71 +/- 2.29   0.915% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    GLN  116  14.50 +/- 2.71   2.018% *  0.0616% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  11.87 +/- 2.36   2.449% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  16.08 +/- 4.45   1.524% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  14.30 +/- 3.30   1.674% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  18.57 +/- 4.15   0.820% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 102.2:
          QD2   LEU  115 - HA    GLN  116   2.46 +/- 0.63  84.245% * 98.5599% (0.92   6.29 102.28) =  99.951%  kept
          QD1   LEU   63 - HA    GLN  116  10.12 +/- 3.04   7.903% *  0.3328% (0.98   0.02   0.02) =   0.032%
          QD2   LEU   63 - HA    GLN  116  10.53 +/- 2.81   5.627% *  0.1522% (0.45   0.02   0.02) =   0.010%
          QD1   LEU  104 - HA    GLN  116  14.70 +/- 3.53   1.059% *  0.2332% (0.69   0.02   0.02) =   0.003%
          QD1   LEU   73 - HA    GLN  116  16.32 +/- 3.00   0.494% *  0.3328% (0.98   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    GLN  116  19.01 +/- 3.66   0.359% *  0.3045% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    GLN  116  18.31 +/- 2.76   0.312% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.05, residual support = 15.9:
          HN    ILE  119 - HA    GLN  116   3.12 +/- 0.23  97.726% * 97.6557% (0.57   3.05  15.85) =  99.981%  kept
          HN    CYS   21 - HA    GLN  116  20.56 +/- 4.74   1.305% *  1.0928% (0.97   0.02   0.02) =   0.015%
          HN    ILE   89 - HA    GLN  116  19.66 +/- 2.86   0.495% *  0.3863% (0.34   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    GLN  116  25.75 +/- 2.87   0.265% *  0.6411% (0.57   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  26.29 +/- 2.89   0.209% *  0.2241% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 6.76, residual support = 108.7:
      O   HN    GLN  116 - HA    GLN  116   2.75 +/- 0.04  69.154% * 88.5994% (0.98  10.0   6.91 112.53) =  96.558%  kept
          HN    THR  118 - HA    GLN  116   4.09 +/- 0.37  22.590% *  9.2246% (0.80   1.0   2.55   0.13) =   3.284%  kept
          HN    GLU- 114 - HA    GLN  116   6.77 +/- 0.29   4.713% *  2.0842% (0.84   1.0   0.55   1.98) =   0.155%  kept
          HN    PHE   60 - HA    GLN  116   8.66 +/- 1.47   3.083% *  0.0512% (0.57   1.0   0.02   0.02) =   0.002%
          HN    LEU   71 - HA    GLN  116  19.36 +/- 3.02   0.461% *  0.0405% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.488, support = 0.716, residual support = 1.84:
          HA    ASP- 113 - HB2   GLN  116   3.66 +/- 0.71  80.328% * 42.3390% (0.49  1.00   0.75   1.93) =  94.993%  kept
        T HA    PRO   58 - HB2   GLN  116  12.19 +/- 1.55   3.123% * 45.9221% (0.41 10.00   0.10   0.02) =   4.005%  kept
          HA    ILE   56 - HB2   GLN  116   9.38 +/- 2.37  10.978% *  2.2385% (0.97  1.00   0.02   0.02) =   0.686%  kept
          HA    LEU  123 - HB2   GLN  116  11.59 +/- 0.82   3.680% *  2.3144% (1.00  1.00   0.02   0.02) =   0.238%  kept
          HA    LYS+  99 - HB2   GLN  116  21.97 +/- 2.89   0.504% *  1.9374% (0.84  1.00   0.02   0.02) =   0.027%
          HA    LEU   40 - HB2   GLN  116  21.55 +/- 2.59   0.565% *  1.3132% (0.57  1.00   0.02   0.02) =   0.021%
          HA    ASN   35 - HB2   GLN  116  27.54 +/- 2.47   0.257% *  2.1942% (0.95  1.00   0.02   0.02) =   0.016%
          HA    GLU-  15 - HB2   GLN  116  27.26 +/- 3.89   0.324% *  0.8705% (0.38  1.00   0.02   0.02) =   0.008%
          HA    SER   13 - HB2   GLN  116  31.85 +/- 4.96   0.241% *  0.8705% (0.38  1.00   0.02   0.02) =   0.006%
    Distance limit 3.79 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 6.99, residual support = 102.2:
          QD2   LEU  115 - HB2   GLN  116   3.68 +/- 0.64  80.751% * 97.5245% (0.45   6.99 102.28) =  99.895%  kept
          QD1   LEU   63 - HB2   GLN  116  11.65 +/- 3.58   7.288% *  0.4982% (0.80   0.02   0.02) =   0.046%
          QD2   LEU   63 - HB2   GLN  116  12.13 +/- 3.32   5.168% *  0.5743% (0.92   0.02   0.02) =   0.038%
          QD1   LEU   73 - HB2   GLN  116  17.56 +/- 3.31   1.582% *  0.4982% (0.80   0.02   0.02) =   0.010%
          QD1   LEU  104 - HB2   GLN  116  15.85 +/- 2.78   1.618% *  0.1385% (0.22   0.02   0.02) =   0.003%
          QG2   VAL   41 - HB2   GLN  116  18.33 +/- 1.83   0.895% *  0.2335% (0.38   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   GLN  116  19.76 +/- 4.11   0.726% *  0.2558% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   GLN  116  17.89 +/- 2.26   1.212% *  0.1385% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  19.61 +/- 4.31   0.759% *  0.1385% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.64, residual support = 102.2:
          QD2   LEU  115 - HG2   GLN  116   3.61 +/- 1.01  77.110% * 98.7323% (1.00   6.64 102.28) =  99.940%  kept
          QD1   LEU   63 - HG2   GLN  116  11.25 +/- 3.12   9.308% *  0.2484% (0.84   0.02   0.02) =   0.030%
          QD2   LEU   80 - HG2   GLN  116  19.63 +/- 4.50   2.495% *  0.2967% (1.00   0.02   0.02) =   0.010%
          QD1   LEU  104 - HG2   GLN  116  16.02 +/- 3.31   1.960% *  0.2667% (0.90   0.02   0.02) =   0.007%
          QD2   LEU   63 - HG2   GLN  116  11.82 +/- 2.74   6.174% *  0.0742% (0.25   0.02   0.02) =   0.006%
          QD1   LEU   73 - HG2   GLN  116  17.38 +/- 3.09   1.438% *  0.2484% (0.84   0.02   0.02) =   0.005%
          QG1   VAL   83 - HG2   GLN  116  18.99 +/- 3.62   1.515% *  0.1333% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.47, residual support = 112.3:
      O   HE21  GLN  116 - HG2   GLN  116   3.09 +/- 0.65  68.951% * 99.1493% (0.65  10.0   4.48 112.53) =  99.796%  kept
          HN    ALA  120 - HG2   GLN  116   5.45 +/- 1.12  23.304% *  0.5623% (0.28   1.0   0.26   0.27) =   0.191%  kept
          HN    ALA   57 - HG2   GLN  116   9.33 +/- 1.99   7.250% *  0.1113% (0.73   1.0   0.02   0.02) =   0.012%
          HE21  GLN   90 - HG2   GLN  116  22.35 +/- 3.80   0.370% *  0.1502% (0.98   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG2   GLN  116  29.00 +/- 3.23   0.125% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.61, residual support = 107.1:
          HN    GLN  116 - HG2   GLN  116   3.58 +/- 0.65  63.349% * 84.7266% (0.80   6.91 112.53) =  95.176%  kept
          HN    THR  118 - HG2   GLN  116   5.93 +/- 0.74  20.364% * 11.9740% (0.98   0.80   0.13) =   4.324%  kept
          HN    GLU- 114 - HG2   GLN  116   6.99 +/- 0.95   9.032% *  2.8842% (0.34   0.55   1.98) =   0.462%  kept
          HN    PHE   60 - HG2   GLN  116   9.72 +/- 1.79   7.053% *  0.3002% (0.98   0.02   0.02) =   0.038%
          HN    GLU-  15 - HG2   GLN  116  27.86 +/- 3.61   0.201% *  0.1149% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.693, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HB2   GLN  116   8.82 +/- 2.41  35.877% * 15.3326% (0.76   0.02   0.02) =  45.356%  kept
          QD    PHE   55 - HB2   GLN  116   8.57 +/- 2.63  37.436% *  6.8436% (0.34   0.02   0.02) =  21.124%  kept
          HD1   TRP   49 - HB2   GLN  116  18.88 +/- 4.21   8.469% * 16.7579% (0.84   0.02   0.02) =  11.702%  kept
          HN    LEU   67 - HB2   GLN  116  17.99 +/- 3.38   5.274% * 20.0629% (1.00   0.02   0.02) =   8.724%  kept
          HD2   HIS   22 - HB2   GLN  116  25.26 +/- 6.97   5.265% * 13.7814% (0.69   0.02   0.02) =   5.982%  kept
          HN    THR   23 - HB2   GLN  116  24.14 +/- 5.53   4.139% * 16.0651% (0.80   0.02   0.02) =   5.483%  kept
          HE3   TRP   27 - HB2   GLN  116  21.98 +/- 2.87   2.611% *  5.5782% (0.28   0.02   0.02) =   1.201%  kept
          HD21  ASN   35 - HB2   GLN  116  29.21 +/- 2.72   0.929% *  5.5782% (0.28   0.02   0.02) =   0.427%  kept
    Distance limit 3.85 A violated in 18 structures by 3.04 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.47, residual support = 111.6:
      O   HN    GLN  116 - HB2   GLN  116   2.20 +/- 0.14  85.076% * 89.6953% (0.98  10.0   7.52 112.53) =  99.141%  kept
          HN    GLU- 114 - HB2   GLN  116   5.26 +/- 0.48   6.786% *  6.5482% (0.84   1.0   1.71   1.98) =   0.577%  kept
          HN    THR  118 - HB2   GLN  116   5.44 +/- 0.23   5.891% *  3.6637% (0.80   1.0   1.00   0.13) =   0.280%  kept
          HN    PHE   60 - HB2   GLN  116  10.55 +/- 2.11   2.097% *  0.0518% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  21.23 +/- 3.09   0.150% *  0.0410% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 28.2:
          HN    SER  117 - HB2   GLN  116   3.34 +/- 0.36  99.135% * 99.5613% (0.98   4.90  28.22) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  25.87 +/- 3.78   0.420% *  0.3464% (0.84   0.02   0.02) =   0.001%
          HN    SER   82 - HB2   GLN  116  25.03 +/- 3.83   0.445% *  0.0923% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 28.2:
      O   HN    SER  117 - HA    GLN  116   3.55 +/- 0.04  99.229% * 99.8922% (0.98  10.0   4.90  28.22) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  24.02 +/- 3.23   0.398% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  24.49 +/- 3.10   0.373% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.921, support = 2.1, residual support = 5.51:
        T QB    ALA  120 - HA    SER  117   3.07 +/- 0.42  79.324% * 89.1998% (0.92 10.00   2.10   5.54) =  99.179%  kept
          HG    LEU  115 - HA    SER  117   7.86 +/- 0.79   5.809% *  6.4381% (0.92  1.00   1.44   2.20) =   0.524%  kept
          HB3   LEU  115 - HA    SER  117   7.97 +/- 0.27   5.076% *  3.1025% (0.38  1.00   1.71   2.20) =   0.221%  kept
          HD2   LYS+ 121 - HA    SER  117   8.49 +/- 1.57   6.958% *  0.7387% (0.18  1.00   0.87   0.02) =   0.072%
        T QG2   THR   26 - HA    SER  117  22.75 +/- 4.24   0.590% *  0.2687% (0.28 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    SER  117  20.01 +/- 4.25   0.413% *  0.0966% (1.00  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    SER  117  21.17 +/- 4.20   0.540% *  0.0508% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    SER  117  19.95 +/- 4.20   0.501% *  0.0470% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  18.84 +/- 3.76   0.476% *  0.0363% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  20.16 +/- 1.37   0.313% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.539, support = 1.77, residual support = 21.6:
          HE21  GLN  116 - HA    SER  117   5.28 +/- 1.29  32.160% * 81.3469% (0.65   2.10  28.22) =  70.784%  kept
          HN    ALA  120 - HA    SER  117   3.66 +/- 0.27  65.738% * 16.3981% (0.28   0.98   5.54) =  29.167%  kept
          HN    ALA   57 - HA    SER  117  13.05 +/- 1.23   1.573% *  0.8703% (0.73   0.02   0.02) =   0.037%
          HE21  GLN   90 - HA    SER  117  22.77 +/- 3.18   0.334% *  1.1748% (0.98   0.02   0.02) =   0.011%
          HD21  ASN   35 - HA    SER  117  28.55 +/- 4.43   0.195% *  0.2099% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.4:
      O   HN    SER  117 - HA    SER  117   2.73 +/- 0.04  99.534% * 99.9049% (0.57  10.0   3.64  15.38) = 100.000%  kept
          HN    ALA   20 - HA    SER  117  24.45 +/- 4.75   0.332% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER  117  26.28 +/- 3.39   0.134% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.31, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.66 +/- 1.61   7.466% * 14.4446% (0.49   0.02   0.02) =  19.556%  kept
          QD    PHE   60 - QB    SER  117  12.06 +/- 2.40   7.026% * 12.2000% (0.41   0.02   0.02) =  15.543%  kept
          QE    PHE   95 - QB    SER  117   8.42 +/- 1.54  14.260% *  4.5788% (0.15   0.02   0.02) =  11.840%  kept
          HN    LYS+  81 - QB    SER   85   7.20 +/- 0.47  18.496% *  3.4992% (0.12   0.02   0.02) =  11.736%  kept
          HN    LYS+  81 - QB    SER   48  12.89 +/- 5.28  10.901% *  5.8981% (0.20   0.02   0.02) =  11.659%  kept
          HN    LYS+  81 - QB    SER  117  21.73 +/- 3.50   1.735% * 22.6789% (0.76   0.02   0.02) =   7.134%  kept
          QD    PHE   60 - QB    SER   48  10.09 +/- 2.72  11.374% *  3.1728% (0.11   0.02   0.02) =   6.544%  kept
          HE3   TRP   27 - QB    SER   48  16.38 +/- 3.64   5.591% *  4.3694% (0.15   0.02   0.02) =   4.430%  kept
          HE3   TRP   27 - QB    SER  117  19.75 +/- 3.08   1.213% * 16.8009% (0.57   0.02   0.02) =   3.696%  kept
          QD    PHE   55 - QB    SER   48  12.60 +/- 2.04   4.983% *  3.7566% (0.13   0.02   0.02) =   3.394%  kept
          QE    PHE   95 - QB    SER   48  10.79 +/- 2.41   9.981% *  1.1908% (0.04   0.02   0.02) =   2.155%  kept
          HE3   TRP   27 - QB    SER   85  17.62 +/- 4.80   2.503% *  2.5923% (0.09   0.02   0.02) =   1.176%  kept
          QD    PHE   60 - QB    SER   85  18.01 +/- 2.31   1.362% *  1.8824% (0.06   0.02   0.02) =   0.465%  kept
          QD    PHE   55 - QB    SER   85  20.44 +/- 2.74   0.992% *  2.2287% (0.08   0.02   0.02) =   0.401%  kept
          QE    PHE   95 - QB    SER   85  15.03 +/- 0.96   2.115% *  0.7065% (0.02   0.02   0.02) =   0.271%  kept
    Distance limit 3.91 A violated in 15 structures by 1.94 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.07, residual support = 41.8:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.07  41.81) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.732, support = 2.71, residual support = 21.8:
          QG1   VAL  107 - HB    THR  118   4.46 +/- 4.16  52.002% * 52.3190% (0.98   1.40   2.90) =  67.100%  kept
          HG13  ILE  119 - HB    THR  118   5.11 +/- 0.71  28.744% * 46.0161% (0.22   5.42  60.76) =  32.620%  kept
          QG1   VAL   24 - HB    THR  118  18.91 +/- 4.62  10.975% *  0.7041% (0.92   0.02   0.02) =   0.191%  kept
          HD3   LYS+ 112 - HB    THR  118   9.67 +/- 1.97   4.956% *  0.6371% (0.84   0.02   0.02) =   0.078%
          QG2   VAL   24 - HB    THR  118  18.54 +/- 4.09   3.089% *  0.1336% (0.18   0.02   0.02) =   0.010%
          HB3   LEU   31 - HB    THR  118  21.10 +/- 3.90   0.234% *  0.1902% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.553, support = 1.71, residual support = 10.4:
          QE    PHE   59 - HB    THR  118   3.58 +/- 0.92  78.778% * 35.2176% (0.45   1.84  12.36) =  77.603%  kept
          HN    HIS  122 - HB    THR  118   7.38 +/- 0.13  13.882% * 52.9033% (0.92   1.34   3.06) =  20.542%  kept
          HN    PHE   59 - HB    THR  118   8.94 +/- 1.03   5.856% * 11.1393% (0.84   0.31  12.36) =   1.825%  kept
          HH2   TRP   87 - HB    THR  118  18.50 +/- 4.13   1.484% *  0.7398% (0.87   0.02   0.02) =   0.031%
    Distance limit 4.04 A violated in 2 structures by 0.18 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.73, residual support = 41.7:
      O   HN    THR  118 - HB    THR  118   2.06 +/- 0.07  91.081% * 96.8738% (0.98  10.0   3.74  41.81) =  99.821%  kept
          HN    GLN  116 - HB    THR  118   5.45 +/- 0.42   5.274% *  2.9585% (0.80   1.0   0.75   0.13) =   0.177%  kept
          HN    PHE   60 - HB    THR  118   9.53 +/- 1.47   1.282% *  0.0969% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   7.57 +/- 0.95   2.312% *  0.0337% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB    THR  118  25.81 +/- 2.71   0.051% *  0.0371% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.11, residual support = 41.8:
      O T QG2   THR  118 - HA    THR  118   2.76 +/- 0.13 100.000% *100.0000% (0.14  10.0 10.00   5.11  41.81) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.425, support = 4.5, residual support = 41.5:
        T HG13  ILE  119 - HA    THR  118   6.20 +/- 0.48  29.192% * 76.9626% (0.20 10.00   6.08  60.76) =  66.723%  kept
          QG1   VAL  107 - HA    THR  118   6.08 +/- 4.08  50.022% * 22.2828% (0.88  1.00   1.32   2.90) =  33.103%  kept
          QG1   VAL   24 - HA    THR  118  19.83 +/- 5.21  13.189% *  0.3191% (0.83  1.00   0.02   0.02) =   0.125%  kept
          HD3   LYS+ 112 - HA    THR  118  11.86 +/- 1.96   5.155% *  0.2887% (0.75  1.00   0.02   0.02) =   0.044%
          QG2   VAL   24 - HA    THR  118  19.39 +/- 4.75   1.902% *  0.0605% (0.16  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - HA    THR  118  21.53 +/- 5.13   0.540% *  0.0862% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 4 structures by 0.69 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.362, support = 2.14, residual support = 5.41:
        T HB3   LYS+ 121 - HA    THR  118   3.74 +/- 0.37  58.917% * 65.9791% (0.22 10.00   2.05   5.42) =  79.216%  kept
          HD2   LYS+ 121 - HA    THR  118   4.97 +/- 1.30  30.994% * 32.8688% (0.89  1.00   2.51   5.42) =  20.760%  kept
          QG2   THR   26 - HA    THR  118  20.86 +/- 4.11   1.071% *  0.2623% (0.89  1.00   0.02   0.02) =   0.006%
          QD    LYS+  66 - HA    THR  118  16.42 +/- 3.56   1.099% *  0.1921% (0.65  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HA    THR  118  18.97 +/- 4.18   0.886% *  0.2210% (0.75  1.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HA    THR  118  14.99 +/- 7.26   2.403% *  0.0660% (0.22  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HA    THR  118  18.08 +/- 1.32   0.541% *  0.2646% (0.90  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HA    THR  118  12.15 +/- 1.83   1.850% *  0.0463% (0.16  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    THR  118  17.47 +/- 5.66   1.173% *  0.0589% (0.20  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  19.09 +/- 4.11   1.066% *  0.0408% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 0.02, residual support = 57.7:
        T HB    ILE  119 - HA    THR  118   5.69 +/- 0.11  58.640% * 57.0728% (0.69 10.00   0.02  60.76) =  94.884%  kept
          HB    VAL  108 - HA    THR  118  13.00 +/- 4.48  10.206% *  7.0645% (0.85  1.00   0.02   0.02) =   2.044%  kept
          HB2   PRO   93 - HA    THR  118  13.29 +/- 2.24   5.813% *  7.0645% (0.85  1.00   0.02   0.02) =   1.164%  kept
          HB2   ARG+  54 - HA    THR  118  17.85 +/- 2.38   2.649% *  7.3202% (0.88  1.00   0.02   0.02) =   0.550%  kept
          HG2   PRO   58 - HA    THR  118  11.40 +/- 2.34  10.865% *  1.3079% (0.16  1.00   0.02   0.02) =   0.403%  kept
          HB2   GLN   30 - HA    THR  118  22.30 +/- 4.57   1.904% *  5.7073% (0.69  1.00   0.02   0.02) =   0.308%  kept
          HB3   GLU- 100 - HA    THR  118  22.29 +/- 6.43   1.759% *  5.1298% (0.62  1.00   0.02   0.02) =   0.256%  kept
          HG3   GLN   30 - HA    THR  118  22.98 +/- 4.40   1.493% *  3.3482% (0.40  1.00   0.02   0.02) =   0.142%  kept
          HG3   PRO   52 - HA    THR  118  17.19 +/- 2.80   3.240% *  1.3079% (0.16  1.00   0.02   0.02) =   0.120%  kept
          HB3   PRO   68 - HA    THR  118  20.02 +/- 4.15   2.418% *  1.1523% (0.14  1.00   0.02   0.02) =   0.079%
          HB2   GLU-  14 - HA    THR  118  27.87 +/- 3.43   0.591% *  1.6626% (0.20  1.00   0.02   0.02) =   0.028%
          HG2   MET   11 - HA    THR  118  34.96 +/- 5.83   0.423% *  1.8622% (0.22  1.00   0.02   0.02) =   0.022%
    Distance limit 3.91 A violated in 19 structures by 1.71 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.33, residual support = 60.7:
        T HG12  ILE  119 - HA    THR  118   5.45 +/- 0.18  78.200% * 98.7917% (0.40 10.00   6.33  60.76) =  99.947%  kept
          HB2   ASP-  44 - HA    THR  118  13.79 +/- 3.13   9.124% *  0.2084% (0.85  1.00   0.02   0.02) =   0.025%
          HB3   PHE   72 - HA    THR  118  16.56 +/- 4.00   6.078% *  0.1911% (0.78  1.00   0.02   0.02) =   0.015%
          QG    GLN   90 - HA    THR  118  18.50 +/- 2.58   2.373% *  0.1764% (0.72  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    THR  118  23.26 +/- 3.29   1.225% *  0.2184% (0.89  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HA    THR  118  25.06 +/- 2.77   0.904% *  0.2034% (0.83  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - HA    THR  118  30.39 +/- 4.97   0.674% *  0.1764% (0.72  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HA    THR  118  26.36 +/- 5.06   1.421% *  0.0340% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 13 structures by 1.53 A, kept.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.89, residual support = 41.8:
      O T HB    THR  118 - HA    THR  118   2.97 +/- 0.07  96.042% * 99.8099% (0.72  10.0 10.00   3.89  41.81) =  99.999%  kept
          HA    PHE   60 - HA    THR  118  11.69 +/- 2.21   2.560% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    THR  118  18.22 +/- 3.74   0.593% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  24.93 +/- 5.28   0.279% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  22.01 +/- 4.94   0.358% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  26.94 +/- 3.94   0.168% *  0.0311% (0.22   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 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.841, support = 0.02, residual support = 9.45:
          QD    PHE   59 - HA    THR  118   6.85 +/- 0.49  75.651% * 25.6201% (0.85   0.02  12.36) =  76.404%  kept
          HD1   TRP   27 - HA    THR  118  21.98 +/- 4.98   9.907% * 25.6201% (0.85   0.02   0.02) =  10.005%  kept
          HH2   TRP   49 - HA    THR  118  19.44 +/- 4.36   9.303% * 22.6222% (0.75   0.02   0.02) =   8.296%  kept
          HE21  GLN   30 - HA    THR  118  21.47 +/- 4.42   5.139% * 26.1376% (0.87   0.02   0.02) =   5.295%  kept
    Distance limit 3.55 A violated in 20 structures by 3.26 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.465, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   7.24 +/- 0.13  87.199% * 43.4534% (0.47   0.02   0.02) =  89.664%  kept
          HZ2   TRP   49 - HA    THR  118  19.32 +/- 3.79   9.539% * 40.2018% (0.44   0.02   0.02) =   9.075%  kept
          HE21  GLN   17 - HA    THR  118  23.82 +/- 4.01   3.262% * 16.3448% (0.18   0.02   0.02) =   1.262%  kept
    Distance limit 3.95 A violated in 20 structures by 3.27 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.03, residual support = 60.8:
      O   HN    ILE  119 - HA    THR  118   3.55 +/- 0.05  97.199% * 99.6357% (0.51  10.0   7.03  60.76) =  99.997%  kept
          HN    CYS   21 - HA    THR  118  21.19 +/- 4.58   1.118% *  0.1698% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    THR  118  24.76 +/- 5.05   0.477% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  19.35 +/- 3.69   0.789% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  25.11 +/- 5.27   0.418% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.59, residual support = 41.8:
      O   HN    THR  118 - HA    THR  118   2.85 +/- 0.03  92.201% * 97.5406% (0.51  10.0   4.60  41.81) =  99.853%  kept
          HN    GLN  116 - HA    THR  118   7.13 +/- 0.22   5.989% *  2.1720% (0.28   1.0   0.82   0.13) =   0.144%  kept
          HN    PHE   60 - HA    THR  118  11.40 +/- 1.20   1.679% *  0.1380% (0.72   1.0   0.02   0.02) =   0.003%
          HN    GLU-  15 - HA    THR  118  26.47 +/- 3.15   0.130% *  0.1494% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.387, support = 3.99, residual support = 43.3:
      O T HA    THR  118 - HB    THR  118   2.97 +/- 0.07  74.079% * 72.8358% (0.38  10.0 10.00   3.89  41.81) =  92.344%  kept
          HA    ILE  119 - HB    THR  118   4.94 +/- 0.21  16.700% * 26.7505% (0.53   1.0  1.00   5.24  60.76) =   7.646%  kept
          HD3   PRO   58 - HB    THR  118  10.77 +/- 1.42   1.928% *  0.0945% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HB    THR  118  15.76 +/- 3.22   1.065% *  0.1483% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - HB    THR  118  11.23 +/- 2.97   4.846% *  0.0299% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - HB    THR  118  19.51 +/- 3.51   0.991% *  0.0870% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    THR  118  18.32 +/- 2.68   0.391% *  0.0540% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.575, support = 5.04, residual support = 39.2:
          HG13  ILE  119 - QG2   THR  118   4.07 +/- 0.51  33.890% * 69.7970% (0.62   6.17  60.76) =  62.703%  kept
          QG1   VAL  107 - QG2   THR  118   4.72 +/- 3.74  47.882% * 29.2776% (0.51   3.14   2.90) =  37.161%  kept
          QG1   VAL   24 - QG2   THR  118  15.18 +/- 4.04  12.040% *  0.2953% (0.80   0.02   0.02) =   0.094%
          HD3   LYS+ 112 - QG2   THR  118   9.33 +/- 1.70   4.182% *  0.3177% (0.87   0.02   0.02) =   0.035%
          HB3   LEU   31 - QG2   THR  118  16.61 +/- 4.06   0.545% *  0.2391% (0.65   0.02   0.02) =   0.003%
          QB    ALA   20 - QG2   THR  118  13.89 +/- 3.03   1.462% *  0.0733% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.27 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.28, support = 1.6, residual support = 4.0:
        T HB3   ASP- 105 - QG2   THR  118   8.33 +/- 6.32  26.896% * 79.0159% (0.25 10.00   1.66   4.19) =  88.860%  kept
          QB    LYS+ 106 - QG2   THR  118   8.53 +/- 4.74  15.082% * 13.4084% (0.51  1.00   1.38   3.25) =   8.455%  kept
          HB3   PRO   58 - QG2   THR  118   9.00 +/- 1.43   9.565% *  5.5876% (0.62  1.00   0.47   0.02) =   2.235%  kept
          HB    ILE   56 - QG2   THR  118   7.80 +/- 1.22  18.070% *  0.3245% (0.85  1.00   0.02   0.02) =   0.245%  kept
          HB3   GLN   30 - QG2   THR  118  16.66 +/- 3.52   3.882% *  0.3310% (0.87  1.00   0.02   0.02) =   0.054%
          HB2   MET   92 - QG2   THR  118  13.29 +/- 2.76   3.296% *  0.2975% (0.78  1.00   0.02   0.02) =   0.041%
          HG2   ARG+  54 - QG2   THR  118  12.96 +/- 2.54   8.297% *  0.0855% (0.22  1.00   0.02   0.02) =   0.030%
          HB3   LYS+  38 - QG2   THR  118  18.66 +/- 4.40   1.475% *  0.3423% (0.89  1.00   0.02   0.02) =   0.021%
          QB    LYS+  81 - QG2   THR  118  17.34 +/- 2.23   2.056% *  0.1805% (0.47  1.00   0.02   0.02) =   0.016%
          HG3   PRO   68 - QG2   THR  118  14.15 +/- 3.31   4.626% *  0.0679% (0.18  1.00   0.02   0.02) =   0.013%
          QB    LYS+  33 - QG2   THR  118  17.87 +/- 3.50   2.026% *  0.1287% (0.34  1.00   0.02   0.02) =   0.011%
          HB    ILE  103 - QG2   THR  118  13.36 +/- 5.78   3.284% *  0.0764% (0.20  1.00   0.02   0.02) =   0.010%
          HB3   GLN   90 - QG2   THR  118  16.11 +/- 2.74   1.444% *  0.1538% (0.40  1.00   0.02   0.02) =   0.009%
    Distance limit 3.53 A violated in 11 structures by 1.56 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.653, support = 4.01, residual support = 31.8:
        T HB2   ASP- 105 - QG2   THR  118   7.77 +/- 6.35  31.482% * 61.4185% (0.51 10.00   1.66   4.19) =  51.106%  kept
          HG12  ILE  119 - QG2   THR  118   3.34 +/- 0.50  48.686% * 37.9740% (0.80  1.00   6.47  60.76) =  48.865%  kept
          HB2   ASP-  44 - QG2   THR  118   9.38 +/- 2.98   6.865% *  0.0491% (0.34  1.00   0.02   0.02) =   0.009%
          HB3   ASP-  76 - QG2   THR  118  14.44 +/- 3.40   7.209% *  0.0447% (0.31  1.00   0.02   0.02) =   0.009%
          HG3   MET   92 - QG2   THR  118  13.61 +/- 2.76   1.286% *  0.1209% (0.83  1.00   0.02   0.02) =   0.004%
          HB3   PHE   72 - QG2   THR  118  11.96 +/- 3.30   2.086% *  0.0637% (0.44  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QG2   THR  118  14.55 +/- 2.63   0.724% *  0.0741% (0.51  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   THR  118  20.44 +/- 3.85   0.329% *  0.1283% (0.88  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  17.31 +/- 5.10   0.653% *  0.0364% (0.25  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   THR  118  19.37 +/- 2.14   0.328% *  0.0538% (0.37  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  17.96 +/- 2.46   0.353% *  0.0364% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.402, support = 5.28, residual support = 51.0:
      O T HA    THR  118 - QG2   THR  118   2.76 +/- 0.13  55.193% * 41.5367% (0.34  10.0 10.00   5.11  41.81) =  51.409%  kept
        T HA    ILE  119 - QG2   THR  118   3.19 +/- 0.19  37.209% * 58.2274% (0.47   1.0 10.00   5.46  60.76) =  48.584%  kept
          HA    VAL   75 - QG2   THR  118  12.54 +/- 3.01   1.378% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QG2   THR  118   8.63 +/- 1.16   2.136% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QG2   THR  118  16.30 +/- 3.03   1.118% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118  10.74 +/- 2.71   2.568% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   THR  118  15.41 +/- 2.69   0.399% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.07, residual support = 41.8:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  92.408% * 99.8099% (0.72  10.0 10.00   4.07  41.81) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   7.57 +/- 2.03   6.450% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QG2   THR  118  14.11 +/- 3.64   0.532% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  16.89 +/- 3.81   0.300% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  19.43 +/- 3.90   0.186% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  21.03 +/- 2.88   0.124% *  0.0311% (0.22   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 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 0.982, residual support = 3.05:
          HD2   HIS  122 - QG2   THR  118   3.57 +/- 0.16  84.597% * 96.5028% (0.90   0.98   3.06) =  99.747%  kept
          HE22  GLN  116 - QG2   THR  118   8.35 +/- 0.98   7.639% *  1.9558% (0.89   0.02   0.13) =   0.183%  kept
          QD    PHE   45 - QG2   THR  118  10.06 +/- 2.77   6.989% *  0.7357% (0.34   0.02   0.02) =   0.063%
          HE22  GLN   17 - QG2   THR  118  18.37 +/- 2.90   0.775% *  0.8058% (0.37   0.02   0.02) =   0.008%
    Distance limit 3.09 A violated in 0 structures by 0.47 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.38, residual support = 12.4:
          QD    PHE   59 - QG2   THR  118   3.81 +/- 0.70  90.197% * 98.6916% (0.85   4.38  12.36) =  99.953%  kept
          HH2   TRP   49 - QG2   THR  118  14.62 +/- 3.11   4.278% *  0.3979% (0.75   0.02   0.02) =   0.019%
          HD1   TRP   27 - QG2   THR  118  16.69 +/- 4.03   3.367% *  0.4507% (0.85   0.02   0.02) =   0.017%
          HE21  GLN   30 - QG2   THR  118  16.16 +/- 3.36   2.158% *  0.4598% (0.87   0.02   0.02) =   0.011%
    Distance limit 3.53 A violated in 1 structures by 0.45 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.46, residual support = 60.8:
        T QG2   THR  118 - HA    ILE  119   3.19 +/- 0.19 100.000% *100.0000% (0.57 10.00   5.46  60.76) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.518, support = 4.49, residual support = 32.3:
          QB    ALA  120 - HA    ILE  119   4.96 +/- 0.03  39.244% * 49.9428% (0.45   5.34  52.36) =  54.298%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.22 +/- 0.63  35.315% * 45.3800% (0.61   3.58   8.54) =  44.398%  kept
          HG    LEU  115 - HA    ILE  119   7.56 +/- 1.08  13.498% *  3.2778% (0.45   0.35   9.47) =   1.226%  kept
          HB3   LEU   40 - HA    ILE  119  16.56 +/- 5.90   3.436% *  0.2867% (0.69   0.02   0.02) =   0.027%
          HB2   LYS+  74 - HA    ILE  119  17.30 +/- 3.52   1.444% *  0.4028% (0.97   0.02   0.02) =   0.016%
          QD    LYS+  66 - HA    ILE  119  14.04 +/- 3.70   4.329% *  0.1041% (0.25   0.02   0.02) =   0.012%
          QG2   THR   26 - HA    ILE  119  19.44 +/- 3.72   1.296% *  0.3190% (0.76   0.02   0.02) =   0.011%
          HG2   LYS+  65 - HA    ILE  119  15.44 +/- 1.52   1.438% *  0.2867% (0.69   0.02   0.02) =   0.011%
    Distance limit 3.93 A violated in 0 structures by 0.50 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 2.34, residual support = 24.3:
          QD    PHE   59 - HA    ILE  119   3.99 +/- 0.35  86.657% * 97.5828% (0.95   2.34  24.31) =  99.876%  kept
          HH2   TRP   49 - HA    ILE  119  18.15 +/- 4.52   7.307% *  0.7352% (0.84   0.02   0.02) =   0.063%
          HE21  GLN   30 - HA    ILE  119  19.83 +/- 4.31   4.731% *  0.8494% (0.97   0.02   0.02) =   0.047%
          HD1   TRP   27 - HA    ILE  119  21.15 +/- 4.31   1.304% *  0.8326% (0.95   0.02   0.02) =   0.013%
    Distance limit 3.34 A violated in 1 structures by 0.66 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.56, residual support = 268.3:
      O   HN    ILE  119 - HA    ILE  119   2.80 +/- 0.05  97.554% * 99.7485% (0.98  10.0   8.56 268.29) =  99.998%  kept
          HN    CYS   21 - HA    ILE  119  19.29 +/- 4.57   1.611% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    ILE  119  20.50 +/- 2.90   0.299% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  23.89 +/- 5.03   0.245% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.60 +/- 4.60   0.291% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.3, support = 5.61, residual support = 42.1:
      O   HN    ALA  120 - HA    ILE  119   3.59 +/- 0.03  69.814% * 58.5256% (0.18  10.0   6.28  52.36) =  80.048%  kept
          HN    LEU  123 - HA    ILE  119   5.03 +/- 0.20  25.628% * 39.4621% (0.80   1.0   2.95   1.00) =  19.813%  kept
          HN    ALA  124 - HA    ILE  119   9.23 +/- 0.30   4.137% *  1.6781% (0.98   1.0   0.10   0.02) =   0.136%  kept
          HE21  GLN   17 - HA    ILE  119  21.57 +/- 3.57   0.421% *  0.3342% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 4.09 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 = 2.5, residual support = 15.8:
          HA    GLN  116 - HB    ILE  119   2.73 +/- 0.63  94.263% * 96.5232% (0.84   2.50  15.85) =  99.974%  kept
          HA    VAL   70 - HB    ILE  119  18.00 +/- 4.10   1.817% *  0.7728% (0.84   0.02   0.02) =   0.015%
          HA    SER   48 - HB    ILE  119  17.53 +/- 4.24   2.178% *  0.1236% (0.13   0.02   0.02) =   0.003%
          HA    VAL   18 - HB    ILE  119  19.18 +/- 3.24   0.588% *  0.4213% (0.46   0.02   0.02) =   0.003%
          HB2   SER   37 - HB    ILE  119  24.33 +/- 4.18   0.219% *  0.5180% (0.56   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  26.07 +/- 3.23   0.297% *  0.3590% (0.39   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    ILE  119  26.65 +/- 4.02   0.169% *  0.5815% (0.63   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    ILE  119  22.60 +/- 3.66   0.306% *  0.2472% (0.27   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    ILE  119  26.30 +/- 3.70   0.163% *  0.4534% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.514, support = 4.95, residual support = 50.6:
          HN    ALA  120 - HB    ILE  119   2.85 +/- 0.13  57.726% * 83.5266% (0.53   5.13  52.36) =  95.745%  kept
          HE21  GLN  116 - HB    ILE  119   4.48 +/- 1.48  31.084% *  4.4180% (0.22   0.66  15.85) =   2.727%  kept
          HN    LEU  123 - HB    ILE  119   5.90 +/- 0.39   6.809% * 11.1513% (0.27   1.35   1.00) =   1.508%  kept
          HN    ALA  124 - HB    ILE  119   9.52 +/- 0.52   1.580% *  0.4295% (0.69   0.02   0.02) =   0.013%
          HN    ALA   57 - HB    ILE  119   8.87 +/- 1.49   2.652% *  0.1061% (0.17   0.02   0.02) =   0.006%
          HE21  GLN   17 - HB    ILE  119  22.85 +/- 3.96   0.149% *  0.3684% (0.60   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.58, residual support = 268.3:
      O   HN    ILE  119 - HB    ILE  119   2.35 +/- 0.20  98.892% * 99.7485% (0.85  10.0   7.58 268.29) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  20.27 +/- 4.95   0.693% *  0.0850% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    ILE  119  20.50 +/- 2.51   0.210% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.57 +/- 4.09   0.094% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.12 +/- 3.78   0.110% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.557, support = 3.78, residual support = 51.3:
          HA    ALA  120 - QG2   ILE  119   3.57 +/- 0.36  63.428% * 85.1684% (0.57   3.84  52.36) =  97.651%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.39 +/- 0.10  11.574% * 10.4082% (0.20   1.34   8.54) =   2.178%  kept
          HD2   PRO   52 - QG2   ILE  119  12.76 +/- 3.34   5.919% *  0.5984% (0.76   0.02   0.02) =   0.064%
          QB    SER   48 - QG2   ILE  119  14.31 +/- 3.85   7.491% *  0.2671% (0.34   0.02   0.02) =   0.036%
          HA    LYS+  65 - QG2   ILE  119  12.90 +/- 2.09   1.705% *  0.7406% (0.95   0.02   0.02) =   0.023%
          HA    SER   48 - QG2   ILE  119  14.71 +/- 3.77   3.229% *  0.2417% (0.31   0.02   0.02) =   0.014%
          HA2   GLY   16 - QG2   ILE  119  18.56 +/- 3.53   0.661% *  0.7022% (0.90   0.02   0.02) =   0.008%
          HB    THR   94 - QG2   ILE  119  13.74 +/- 2.32   2.027% *  0.1952% (0.25   0.02   0.02) =   0.007%
          QB    SER   85 - QG2   ILE  119  19.92 +/- 1.55   0.452% *  0.7022% (0.90   0.02   0.02) =   0.006%
          HA2   GLY   51 - QG2   ILE  119  13.98 +/- 3.09   2.606% *  0.1208% (0.15   0.02   0.02) =   0.006%
          HA    ALA   88 - QG2   ILE  119  20.21 +/- 2.22   0.478% *  0.4119% (0.53   0.02   0.02) =   0.004%
          HA    GLN   32 - QG2   ILE  119  21.18 +/- 3.70   0.431% *  0.4433% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.64 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 5.34, residual support = 44.1:
          HN    ALA  120 - QG2   ILE  119   3.44 +/- 0.37  36.414% * 74.6790% (0.61   5.74  52.36) =  83.763%  kept
          HN    LEU  123 - QG2   ILE  119   4.09 +/- 0.26  22.008% * 22.7648% (0.31   3.44   1.00) =  15.432%  kept
          HE21  GLN  116 - QG2   ILE  119   4.46 +/- 1.26  25.723% *  0.7075% (0.25   0.13  15.85) =   0.561%  kept
          HN    ALA  124 - QG2   ILE  119   6.79 +/- 0.34   4.710% *  1.4691% (0.80   0.09   0.02) =   0.213%  kept
          HN    ALA   57 - QG2   ILE  119   6.83 +/- 1.86  10.796% *  0.0849% (0.20   0.02   0.02) =   0.028%
          HE21  GLN   17 - QG2   ILE  119  18.13 +/- 3.56   0.350% *  0.2947% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.84, residual support = 268.2:
          HN    ILE  119 - QG2   ILE  119   3.65 +/- 0.07  87.022% * 99.2719% (0.80   7.85 268.29) =  99.980%  kept
          HN    CYS   21 - QG2   ILE  119  16.45 +/- 4.43  11.405% *  0.1078% (0.34   0.02   0.02) =   0.014%
          HN    ILE   89 - QG2   ILE  119  18.18 +/- 2.12   0.898% *  0.3050% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - QG2   ILE  119  20.68 +/- 3.88   0.675% *  0.3153% (1.00   0.02   0.02) =   0.002%
    Distance limit 3.95 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 = 0.895, support = 1.88, residual support = 9.43:
          QD2   LEU  115 - HG12  ILE  119   3.28 +/- 0.86  65.094% * 95.5591% (0.90   1.89   9.47) =  99.622%  kept
          QD1   LEU   63 - HG12  ILE  119   8.53 +/- 3.13  28.349% *  0.6388% (0.57   0.02   0.02) =   0.290%  kept
          QD1   LEU  104 - HG12  ILE  119  13.57 +/- 4.52   2.465% *  1.1283% (1.00   0.02   0.02) =   0.045%
          QD2   LEU   80 - HG12  ILE  119  17.78 +/- 3.18   1.145% *  1.0416% (0.92   0.02   0.02) =   0.019%
          QD1   LEU   73 - HG12  ILE  119  14.70 +/- 3.27   1.220% *  0.6388% (0.57   0.02   0.02) =   0.012%
          QG1   VAL   83 - HG12  ILE  119  17.20 +/- 2.09   0.663% *  0.8193% (0.73   0.02   0.02) =   0.009%
          QG2   ILE   89 - HG12  ILE  119  13.90 +/- 1.40   1.064% *  0.1741% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.884, support = 2.77, residual support = 9.12:
          QD2   LEU  115 - HG13  ILE  119   3.41 +/- 1.07  64.121% * 89.6174% (0.90   2.86   9.47) =  96.352%  kept
          QD1   LEU   63 - HG13  ILE  119   8.31 +/- 2.98  26.548% *  8.0261% (0.57   0.41   0.02) =   3.573%  kept
          QD1   LEU   73 - HG13  ILE  119  14.81 +/- 3.50   4.261% *  0.3959% (0.57   0.02   0.02) =   0.028%
          QD1   LEU  104 - HG13  ILE  119  13.85 +/- 4.46   2.157% *  0.6993% (1.00   0.02   0.02) =   0.025%
          QD2   LEU   80 - HG13  ILE  119  18.08 +/- 3.22   1.260% *  0.6456% (0.92   0.02   0.02) =   0.014%
          QG1   VAL   83 - HG13  ILE  119  17.62 +/- 2.25   0.691% *  0.5078% (0.73   0.02   0.02) =   0.006%
          QG2   ILE   89 - HG13  ILE  119  14.31 +/- 1.60   0.961% *  0.1079% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.03 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  12.09 +/- 3.05 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.70 A violated in 19 structures by 8.40 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.7, residual support = 24.3:
          QD    PHE   59 - HG13  ILE  119   3.07 +/- 0.74  92.828% * 98.4555% (0.95   3.70  24.31) =  99.962%  kept
          HH2   TRP   49 - HG13  ILE  119  16.56 +/- 4.30   5.866% *  0.4698% (0.84   0.02   0.02) =   0.030%
          HE21  GLN   30 - HG13  ILE  119  19.61 +/- 4.09   0.833% *  0.5428% (0.97   0.02   0.02) =   0.005%
          HD1   TRP   27 - HG13  ILE  119  20.82 +/- 3.93   0.473% *  0.5320% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.03, residual support = 268.3:
          HN    ILE  119 - HG13  ILE  119   3.14 +/- 0.67  94.455% * 99.2883% (0.80   8.03 268.29) =  99.992%  kept
          HN    CYS   21 - HG13  ILE  119  18.63 +/- 4.84   4.490% *  0.1054% (0.34   0.02   0.02) =   0.005%
          HN    ILE   89 - HG13  ILE  119  19.57 +/- 2.54   0.559% *  0.2981% (0.97   0.02   0.02) =   0.002%
          HN    SER   37 - HG13  ILE  119  24.28 +/- 4.07   0.496% *  0.3082% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.34, residual support = 24.3:
          QD    PHE   59 - HG12  ILE  119   2.86 +/- 0.55  88.720% * 99.1090% (0.84   4.34  24.31) =  99.977%  kept
          HH2   TRP   49 - HG12  ILE  119  16.55 +/- 4.34  10.588% *  0.1686% (0.31   0.02   0.02) =   0.020%
          HD1   TRP   27 - HG12  ILE  119  20.73 +/- 3.61   0.308% *  0.4564% (0.84   0.02   0.02) =   0.002%
          HE21  GLN   30 - HG12  ILE  119  19.68 +/- 3.57   0.383% *  0.2660% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.62, residual support = 268.3:
          HN    ILE  119 - HG12  ILE  119   2.51 +/- 0.44  98.576% * 99.3366% (0.80   8.62 268.29) =  99.998%  kept
          HN    CYS   21 - HG12  ILE  119  18.69 +/- 4.36   0.937% *  0.0982% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG12  ILE  119  19.04 +/- 2.51   0.304% *  0.2779% (0.97   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE  119  24.34 +/- 3.75   0.182% *  0.2873% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119  10.22 +/- 2.39 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.15 A violated in 19 structures by 7.08 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.361, support = 3.77, residual support = 8.11:
          QD2   LEU  115 - QD1   ILE  119   2.50 +/- 0.82  65.627% * 68.1032% (0.40  1.00   4.33   9.47) =  85.655%  kept
        T QD1   LEU   63 - QD1   ILE  119   6.76 +/- 2.64  31.040% * 23.9246% (0.15 10.00   0.41   0.02) =  14.232%  kept
        T QD1   LEU  104 - QD1   ILE  119  12.10 +/- 3.38   0.810% *  5.2533% (0.66 10.00   0.02   0.02) =   0.082%
        T QD1   LEU   73 - QD1   ILE  119  12.40 +/- 2.31   0.644% *  1.1800% (0.15 10.00   0.02   0.02) =   0.015%
          QG1   VAL   83 - QD1   ILE  119  14.63 +/- 1.95   0.488% *  0.7631% (0.96  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD1   ILE  119  14.94 +/- 2.73   0.789% *  0.3429% (0.43  1.00   0.02   0.02) =   0.005%
          QG2   ILE   89 - QD1   ILE  119  11.86 +/- 1.42   0.603% *  0.4330% (0.55  1.00   0.02   0.02) =   0.005%
    Distance limit 2.63 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.97, residual support = 15.9:
        T HA    GLN  116 - QD1   ILE  119   2.95 +/- 0.86  80.581% * 99.4587% (0.51 10.00   3.97  15.85) =  99.977%  kept
          HA    VAL   70 - QD1   ILE  119  13.73 +/- 3.37  14.906% *  0.0995% (0.51  1.00   0.02   0.02) =   0.018%
          HA1   GLY   16 - QD1   ILE  119  17.62 +/- 3.11   1.052% *  0.1514% (0.77  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QD1   ILE  119  19.32 +/- 2.98   0.590% *  0.1886% (0.96  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QD1   ILE  119  14.47 +/- 2.83   1.908% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  21.29 +/- 2.83   0.457% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  20.91 +/- 2.68   0.505% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.816, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119  10.82 +/- 2.51  48.977% * 81.6578% (0.96 10.00   0.02   0.02) =  81.037%  kept
        T QD    PHE   72 - QD1   ILE  119  10.52 +/- 1.79  51.023% * 18.3422% (0.21 10.00   0.02   0.02) =  18.963%  kept
    Distance limit 3.39 A violated in 19 structures by 5.92 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.666, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.68 +/- 2.92  54.725% * 23.3518% (0.47   0.02   0.02) =  42.565%  kept
          HN    ALA   47 - QD1   ILE  119  10.98 +/- 2.16  22.052% * 47.5501% (0.96   0.02   0.02) =  34.927%  kept
          QE    PHE   72 - QD1   ILE  119   9.78 +/- 1.94  23.223% * 29.0981% (0.59   0.02   0.02) =  22.508%  kept
    Distance limit 3.44 A violated in 15 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.859, support = 1.59, residual support = 19.7:
          HN    HIS  122 - QD1   ILE  119   5.89 +/- 0.49  28.403% * 98.2448% (0.87   1.61  19.67) =  98.781%  kept
          HN    PHE   59 - QD1   ILE  119   4.01 +/- 0.80  70.242% *  0.4652% (0.33   0.02  24.31) =   1.157%  kept
          HH2   TRP   87 - QD1   ILE  119  17.23 +/- 2.23   1.356% *  1.2900% (0.91   0.02   0.02) =   0.062%
    Distance limit 3.58 A violated in 0 structures by 0.48 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.0, residual support = 268.2:
          HN    ILE  119 - QD1   ILE  119   3.67 +/- 0.30  89.887% * 99.2846% (0.95   7.00 268.29) =  99.975%  kept
          HN    CYS   21 - QD1   ILE  119  15.31 +/- 3.88   7.478% *  0.2417% (0.81   0.02   0.02) =   0.020%
          HN    ILE   89 - QD1   ILE  119  16.36 +/- 2.07   1.281% *  0.2417% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  20.45 +/- 2.85   0.630% *  0.1872% (0.62   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE  119  19.97 +/- 2.64   0.723% *  0.0447% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.22, residual support = 29.0:
        T QD1   LEU  123 - HA    ALA  120   2.58 +/- 0.57  93.820% * 99.1996% (0.45 10.00   5.22  28.99) =  99.992%  kept
          HB3   LEU   63 - HA    ALA  120  14.90 +/- 3.74   1.191% *  0.2169% (0.98  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - HA    ALA  120  14.66 +/- 4.27   1.032% *  0.1520% (0.69  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HA    ALA  120  16.71 +/- 3.00   0.802% *  0.1772% (0.80  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    ALA  120  19.05 +/- 4.62   0.985% *  0.0992% (0.45  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    ALA  120  15.86 +/- 2.31   0.646% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  16.77 +/- 7.30   1.523% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.556, support = 4.97, residual support = 22.3:
          HN    LEU  123 - HA    ALA  120   2.68 +/- 0.07  49.020% * 47.3630% (0.80   1.0   6.03  28.99) =  58.124%  kept
      O   HN    ALA  120 - HA    ALA  120   2.73 +/- 0.03  46.255% * 34.3514% (0.18  10.0   3.58  13.58) =  39.779%  kept
          HN    ALA  124 - HA    ALA  120   5.94 +/- 0.33   4.630% * 18.0894% (0.98   1.0   1.88   0.02) =   2.097%  kept
          HE21  GLN   17 - HA    ALA  120  24.29 +/- 4.66   0.095% *  0.1961% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 6.46, residual support = 313.4:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  97.398% * 99.7700% (0.45  10.0   6.46 313.41) =  99.999%  kept
          HZ2   TRP   49 - HA    LYS+ 121  22.89 +/- 4.48   0.430% *  0.2105% (0.95   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+  65  16.62 +/- 5.70   1.753% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  17.81 +/- 2.08   0.420% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.919, support = 3.54, residual support = 7.08:
          HA    ILE  119 - HB2   LYS+ 121   4.33 +/- 0.26  41.250% * 60.0841% (0.97   4.06   8.54) =  53.340%  kept
          HA    THR  118 - HB2   LYS+ 121   3.82 +/- 0.76  55.379% * 39.1395% (0.87   2.94   5.42) =  46.647%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.67 +/- 2.93   1.319% *  0.1736% (0.57   0.02   0.02) =   0.005%
          HB2   TRP   49 - HB2   LYS+ 121  22.64 +/- 4.80   0.674% *  0.2831% (0.92   0.02   0.02) =   0.004%
          HA    ALA   84 - HB2   LYS+ 121  21.83 +/- 2.97   0.446% *  0.2344% (0.76   0.02   0.02) =   0.002%
          HA    VAL   75 - HB2   LYS+ 121  18.18 +/- 3.39   0.931% *  0.0853% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.25, residual support = 5.67:
        T HA    THR  118 - HB3   LYS+ 121   3.74 +/- 0.37  71.844% * 79.5641% (0.72 10.00   2.05   5.42) =  91.907%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.45 +/- 0.41  24.904% * 20.2037% (0.81  1.00   4.56   8.54) =   8.090%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.69 +/- 3.04   1.204% *  0.0519% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  23.60 +/- 4.89   0.693% *  0.0847% (0.77  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB3   LYS+ 121  22.23 +/- 3.30   0.449% *  0.0701% (0.64  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - HB3   LYS+ 121  19.05 +/- 3.57   0.905% *  0.0255% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 6.36, residual support = 313.4:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.58 +/- 0.36  99.658% * 99.9582% (0.75  10.0   6.36 313.41) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  21.60 +/- 3.98   0.342% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 6.29, residual support = 55.2:
          HN    HIS  122 - HB3   LYS+ 121   4.16 +/- 0.24  94.264% * 99.5458% (0.75   6.29  55.20) =  99.989%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.18 +/- 1.40   4.224% *  0.1204% (0.28   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB3   LYS+ 121  20.86 +/- 6.02   1.512% *  0.3338% (0.79   0.02   0.02) =   0.005%
    Distance limit 3.88 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.83, residual support = 55.2:
          HN    HIS  122 - HB2   LYS+ 121   3.28 +/- 0.12  89.372% * 99.2792% (0.41   7.83  55.20) =  99.974%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.23 +/- 0.65   8.856% *  0.2103% (0.34   0.02   0.02) =   0.021%
          HH2   TRP   87 - HB2   LYS+ 121  20.61 +/- 5.70   0.830% *  0.3001% (0.49   0.02   0.02) =   0.003%
          HD1   TRP   27 - HB2   LYS+ 121  21.95 +/- 5.62   0.942% *  0.2103% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.96, residual support = 313.4:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.43 +/- 0.31  99.678% * 99.9061% (0.92  10.0   6.96 313.41) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  20.80 +/- 3.82   0.322% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.503, support = 1.52, residual support = 18.2:
          QG2   ILE  119 - HB2   HIS  122   4.17 +/- 0.98  52.378% * 83.1987% (0.53   1.59  19.67) =  92.752%  kept
          QD1   LEU   40 - HB2   HIS  122  11.95 +/- 6.40  21.654% * 14.8034% (0.20   0.75   0.02) =   6.823%  kept
          QD2   LEU   67 - HB2   HIS  122  13.66 +/- 5.83  20.941% *  0.8201% (0.41   0.02   0.02) =   0.366%  kept
          QD2   LEU   71 - HB2   HIS  122  15.58 +/- 4.69   3.463% *  0.4974% (0.25   0.02   0.02) =   0.037%
          QD1   ILE  103 - HB2   HIS  122  17.39 +/- 5.90   1.563% *  0.6804% (0.34   0.02   0.02) =   0.023%
    Distance limit 3.60 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.531, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  13.40 +/- 7.38  22.435% * 20.0916% (0.69   0.02   0.02) =  37.867%  kept
          QD2   LEU  115 - HB2   HIS  122   8.88 +/- 1.08  31.718% * 12.0248% (0.41   0.02   0.02) =  32.041%  kept
          QD1   LEU   63 - HB2   HIS  122  10.21 +/- 3.16  24.366% *  4.5130% (0.15   0.02   0.02) =   9.238%  kept
          QG1   VAL   83 - HB2   HIS  122  20.09 +/- 2.60   2.704% * 29.1845% (1.00   0.02   0.02) =   6.630%  kept
          QG2   ILE   89 - HB2   HIS  122  17.92 +/- 1.96   3.798% * 16.5597% (0.57   0.02   0.02) =   5.284%  kept
          QD2   LEU   80 - HB2   HIS  122  20.44 +/- 3.47   4.515% * 13.1134% (0.45   0.02   0.02) =   4.974%  kept
          QD1   LEU   73 - HB2   HIS  122  15.88 +/- 4.30  10.463% *  4.5130% (0.15   0.02   0.02) =   3.967%  kept
    Distance limit 4.17 A violated in 15 structures by 2.75 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 71.1:
      O   HD2   HIS  122 - HB2   HIS  122   3.69 +/- 0.45  92.300% * 99.8219% (1.00  10.0   3.60  71.09) =  99.993%  kept
          HE22  GLN  116 - HB2   HIS  122  10.38 +/- 2.04   5.583% *  0.0996% (1.00   1.0   0.02   0.02) =   0.006%
          QD    PHE   45 - HB2   HIS  122  16.64 +/- 2.97   1.362% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   HIS  122  21.21 +/- 3.96   0.755% *  0.0410% (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 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.38, residual support = 71.1:
      O   HN    HIS  122 - HB2   HIS  122   3.37 +/- 0.50  86.494% * 99.7165% (0.41  10.0   5.39  71.09) =  99.987%  kept
          QD    PHE   59 - HB2   HIS  122   7.16 +/- 1.30  10.853% *  0.0827% (0.34   1.0   0.02   0.02) =   0.010%
          HD1   TRP   27 - HB2   HIS  122  21.72 +/- 5.55   2.101% *  0.0827% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   HIS  122  22.83 +/- 4.68   0.553% *  0.1181% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 71.1:
      O   HD2   HIS  122 - HB3   HIS  122   3.18 +/- 0.46  93.220% * 99.8219% (1.00  10.0   4.27  71.09) =  99.994%  kept
          HE22  GLN  116 - HB3   HIS  122   9.68 +/- 1.64   5.378% *  0.0996% (1.00   1.0   0.02   0.02) =   0.006%
          QD    PHE   45 - HB3   HIS  122  16.41 +/- 2.90   0.986% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  21.49 +/- 3.75   0.415% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.54, residual support = 71.1:
      O   HN    HIS  122 - HB3   HIS  122   2.88 +/- 0.46  94.411% * 99.8567% (0.90  10.0   6.54  71.09) =  99.998%  kept
          HN    PHE   59 - HB3   HIS  122   9.33 +/- 2.02   5.333% *  0.0380% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   HIS  122  22.81 +/- 4.84   0.257% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.521, support = 1.73, residual support = 19.3:
          QG2   ILE  119 - HB3   HIS  122   3.58 +/- 0.86  58.468% * 93.9529% (0.53  1.00   1.76  19.67) =  98.241%  kept
        T QD1   LEU   40 - HB3   HIS  122  12.25 +/- 6.20  20.355% *  4.0151% (0.20 10.00   0.02   0.02) =   1.462%  kept
          QD2   LEU   67 - HB3   HIS  122  13.87 +/- 5.72  17.066% *  0.8341% (0.41  1.00   0.02   0.02) =   0.255%  kept
          QD2   LEU   71 - HB3   HIS  122  15.90 +/- 4.39   2.501% *  0.5059% (0.25  1.00   0.02   0.02) =   0.023%
          QD1   ILE  103 - HB3   HIS  122  17.30 +/- 5.95   1.611% *  0.6921% (0.34  1.00   0.02   0.02) =   0.020%
    Distance limit 3.67 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.676, support = 3.07, residual support = 28.2:
          HA    ALA  120 - HG    LEU  123   2.57 +/- 0.80  73.187% * 73.5290% (0.68  1.00   3.14  28.99) =  97.057%  kept
          HA    LYS+ 121 - HG    LEU  123   6.83 +/- 0.51   5.265% * 19.1762% (0.47  1.00   1.18   2.44) =   1.821%  kept
          QB    SER   48 - HG    LEU  123  19.65 +/- 5.89  14.406% *  4.0604% (0.60  1.00   0.20   0.02) =   1.055%  kept
        T HD2   PRO   52 - HG    LEU  123  18.01 +/- 5.50   2.051% *  1.1801% (0.17 10.00   0.02   0.02) =   0.044%
          HA2   GLY   51 - HG    LEU  123  19.42 +/- 5.18   1.730% *  0.2870% (0.42  1.00   0.02   0.02) =   0.009%
          QB    SER  117 - HG    LEU  123   8.71 +/- 0.75   2.284% *  0.1614% (0.23  1.00   0.02   0.02) =   0.007%
          HB    THR   94 - HG    LEU  123  19.14 +/- 2.90   0.419% *  0.3617% (0.52  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - HG    LEU  123  18.49 +/- 3.30   0.294% *  0.3953% (0.57  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG    LEU  123  24.09 +/- 4.97   0.199% *  0.4244% (0.62  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HG    LEU  123  25.91 +/- 3.16   0.164% *  0.4244% (0.62  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.48, residual support = 201.2:
          HN    LEU  123 - HG    LEU  123   3.43 +/- 0.30  92.869% * 93.8144% (0.36   5.51 202.16) =  99.543%  kept
          HZ2   TRP   49 - HG    LEU  123  21.09 +/- 6.18   6.585% *  6.0574% (0.33   0.38   0.02) =   0.456%  kept
          HE21  GLN   17 - HG    LEU  123  23.80 +/- 5.01   0.547% *  0.1282% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.979, support = 3.06, residual support = 28.0:
          HA    ALA  120 - HB3   LEU  123   3.66 +/- 0.20  67.857% * 78.7383% (0.99   3.14  28.99) =  96.363%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.89 +/- 0.36  10.508% * 18.4959% (0.69   1.06   2.44) =   3.505%  kept
          QB    SER   48 - HB3   LEU  123  21.53 +/- 6.24  11.673% *  0.4396% (0.87   0.02   0.02) =   0.093%
          QB    SER  117 - HB3   LEU  123  10.04 +/- 0.28   3.278% *  0.1729% (0.34   0.02   0.02) =   0.010%
          HD2   PRO   52 - HB3   LEU  123  20.09 +/- 6.11   3.732% *  0.1264% (0.25   0.02   0.02) =   0.009%
          HA2   GLY   51 - HB3   LEU  123  21.40 +/- 5.71   1.198% *  0.3074% (0.61   0.02   0.02) =   0.007%
          HA    LYS+  65 - HB3   LEU  123  20.24 +/- 3.68   0.552% *  0.4233% (0.84   0.02   0.02) =   0.004%
          HB    THR   94 - HB3   LEU  123  21.25 +/- 2.95   0.536% *  0.3873% (0.76   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB3   LEU  123  25.02 +/- 5.77   0.447% *  0.4545% (0.90   0.02   0.02) =   0.004%
          QB    SER   85 - HB3   LEU  123  27.57 +/- 3.51   0.219% *  0.4545% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.91, support = 5.34, residual support = 169.9:
      O   HN    LEU  123 - HB3   LEU  123   3.55 +/- 0.08  38.912% * 88.3761% (0.98  10.0   5.51 202.16) =  83.009%  kept
          HN    ALA  124 - HB3   LEU  123   3.05 +/- 0.18  60.881% * 11.5620% (0.57   1.0   4.53  12.21) =  16.991%  kept
          HE21  GLN   17 - HB3   LEU  123  24.88 +/- 5.59   0.207% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.94, support = 2.85, residual support = 24.6:
          HA    ALA  120 - HB2   LEU  123   2.20 +/- 0.68  73.775% * 25.7400% (0.99  1.00   3.16  28.99) =  83.323%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.46 +/- 0.65   5.234% * 72.1297% (0.69 10.00   1.28   2.44) =  16.566%  kept
          QB    SER   48 - HB2   LEU  123  20.97 +/- 5.89  12.723% *  0.1424% (0.87  1.00   0.02   0.02) =   0.080%
        T HA    LYS+  65 - HB2   LEU  123  19.65 +/- 3.23   0.166% *  1.3714% (0.84 10.00   0.02   0.02) =   0.010%
          HD2   PRO   52 - HB2   LEU  123  19.42 +/- 5.74   4.913% *  0.0409% (0.25  1.00   0.02   0.02) =   0.009%
          HA2   GLY   51 - HB2   LEU  123  20.89 +/- 5.39   1.429% *  0.0996% (0.61  1.00   0.02   0.02) =   0.006%
          QB    SER  117 - HB2   LEU  123   8.81 +/- 0.63   1.301% *  0.0560% (0.34  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - HB2   LEU  123  20.11 +/- 2.69   0.193% *  0.1255% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU  123  26.60 +/- 3.11   0.153% *  0.1472% (0.90  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   LEU  123  24.74 +/- 5.20   0.114% *  0.1472% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.969, support = 5.88, residual support = 197.1:
      O   HN    LEU  123 - HB2   LEU  123   2.40 +/- 0.30  81.533% * 89.0583% (0.98  10.0   5.93 202.16) =  97.326%  kept
          HN    ALA  124 - HB2   LEU  123   4.12 +/- 0.10  18.334% * 10.8793% (0.57   1.0   4.23  12.21) =   2.674%  kept
          HE21  GLN   17 - HB2   LEU  123  24.58 +/- 5.10   0.133% *  0.0624% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.563, support = 5.2, residual support = 28.8:
        T HA    ALA  120 - QD1   LEU  123   2.58 +/- 0.57  79.157% * 93.5103% (0.57 10.00   5.22  28.99) =  99.220%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.40 +/- 0.12  11.156% *  5.0978% (0.20  1.00   3.12   2.44) =   0.762%  kept
        T HA    SER   48 - QD1   LEU  123  16.60 +/- 4.48   0.988% *  0.5098% (0.31 10.00   0.02   0.02) =   0.007%
          HD2   PRO   52 - QD1   LEU  123  14.69 +/- 4.38   3.056% *  0.1262% (0.76  1.00   0.02   0.02) =   0.005%
          HA    LYS+  65 - QD1   LEU  123  14.28 +/- 2.89   0.885% *  0.1562% (0.95  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD1   LEU  123  15.95 +/- 4.54   1.475% *  0.0563% (0.34  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  123  19.04 +/- 4.43   0.502% *  0.1481% (0.90  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD1   LEU  123  21.62 +/- 4.88   0.651% *  0.0935% (0.57  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU  123  21.45 +/- 2.10   0.213% *  0.1481% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.69 +/- 2.39   0.682% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  15.82 +/- 4.10   1.020% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  21.97 +/- 2.49   0.215% *  0.0869% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.579, support = 1.84, residual support = 9.24:
      O   HN    ALA  124 - QB    ALA  124   2.22 +/- 0.27  89.103% * 79.2799% (0.57  10.0   1.81   9.15) =  96.992%  kept
          HN    LEU  123 - QB    ALA  124   5.51 +/- 0.52  10.627% * 20.6139% (0.98   1.0   2.72  12.21) =   3.008%  kept
          HE21  GLN   17 - QB    ALA  124  21.68 +/- 5.78   0.270% *  0.1062% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 1.83, residual support = 9.2:
      O   HN    ALA  124 - HA    ALA  124   2.77 +/- 0.15  82.859% * 88.9304% (0.98  10.0   1.81   9.15) =  98.317%  kept
          HN    LEU  123 - HA    ALA  124   5.45 +/- 0.22  11.543% * 10.9176% (0.80   1.0   2.72  12.21) =   1.681%  kept
          HN    ALA  120 - HA    ALA  124   9.48 +/- 0.69   2.368% *  0.0175% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA  124  25.70 +/- 6.29   0.278% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  13.23 +/- 3.13   1.941% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  25.08 +/- 7.39   0.372% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  23.11 +/- 6.42   0.418% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  23.63 +/- 4.65   0.220% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 4.66, residual support = 66.8:
      O   HN    ALA  124 - HA    LEU  123   2.27 +/- 0.02  65.283% * 55.0021% (0.98  10.0   4.15  12.21) =  71.252%  kept
      O   HN    LEU  123 - HA    LEU  123   2.88 +/- 0.05  32.243% * 44.9320% (0.80  10.0   5.93 202.16) =  28.748%  kept
          HN    ALA  120 - HA    LEU  123   6.90 +/- 0.21   2.353% *  0.0098% (0.18   1.0   0.02  28.99) =   0.000%
          HE21  GLN   17 - HA    LEU  123  23.59 +/- 5.60   0.122% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  20.37 +/- 6.93 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.36 A violated in 20 structures by 17.01 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   2.35 +/- 0.12  98.509% * 99.7350% (0.69  10.0   5.98  23.47) =  99.999%  kept
          HN    GLN   90 - HA    LYS+ 102  19.76 +/- 2.62   0.188% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  22.03 +/- 4.16   0.203% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  20.45 +/- 5.77   0.915% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.40 +/- 0.98   0.185% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 14.6:
      O   HN    PHE   95 - HA    THR   94   2.27 +/- 0.14 100.000% *100.0000% (0.73  10.0   3.16  14.56) = 100.000%  kept
    Distance limit 2.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.9, residual support = 86.1:
      O   HN    LEU   80 - HB2   LEU   80   3.33 +/- 0.68  94.808% * 99.7811% (1.00  10.0   5.90  86.10) =  99.996%  kept
          HN    CYS   53 - HB2   LEU   80  17.98 +/- 3.82   2.715% *  0.0946% (0.95   1.0   0.02   0.02) =   0.003%
          HN    ALA   34 - HB2   LEU   80  20.49 +/- 5.72   0.965% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  19.68 +/- 6.81   1.512% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.38, residual support = 86.1:
      O   HN    LEU   80 - HB3   LEU   80   3.35 +/- 0.26  94.580% * 99.7811% (1.00  10.0   6.39  86.10) =  99.995%  kept
          HN    CYS   53 - HB3   LEU   80  17.76 +/- 3.69   3.566% *  0.0946% (0.95   1.0   0.02   0.02) =   0.004%
          HN    ALA   34 - HB3   LEU   80  20.51 +/- 5.59   0.747% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  19.72 +/- 6.59   1.107% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.32, residual support = 85.8:
      O   HA    LEU   80 - HB3   LEU   80   2.76 +/- 0.25  85.867% * 95.3824% (0.98  10.0   5.33  86.10) =  99.663%  kept
          HA    ASP-  78 - HB3   LEU   80   6.99 +/- 0.78   6.667% *  3.3225% (0.61   1.0   1.13   6.26) =   0.270%  kept
          HA    THR   23 - HB3   LEU   80  12.94 +/- 7.02   4.651% *  1.1449% (0.90   1.0   0.26   0.91) =   0.065%
          HB    THR   23 - HB3   LEU   80  14.84 +/- 6.98   1.933% *  0.0873% (0.90   1.0   0.02   0.91) =   0.002%
          HA    ASP- 105 - HB3   LEU   80  19.22 +/- 4.68   0.882% *  0.0629% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.46 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 = 0.479, support = 4.24, residual support = 86.0:
      O   QD2   LEU   80 - HB3   LEU   80   2.79 +/- 0.40  46.353% * 77.3053% (0.57  10.0  1.00   4.10  86.10) =  79.824%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.71 +/- 0.37  48.803% * 18.4793% (0.14  10.0  1.00   4.82  86.10) =  20.090%  kept
        T QD1   LEU   73 - HB3   LEU   80  10.49 +/- 3.77   1.848% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.052%
        T QD1   LEU   63 - HB3   LEU   80  15.15 +/- 3.70   0.653% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.018%
        T QD2   LEU   63 - HB3   LEU   80  14.84 +/- 3.10   0.491% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.012%
        T QD1   LEU  104 - HB3   LEU   80  17.70 +/- 3.05   0.222% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   LEU   80  16.29 +/- 2.70   0.306% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   80  13.58 +/- 2.99   0.493% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  13.43 +/- 3.29   0.829% *  0.0185% (0.14   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.92, residual support = 85.7:
      O   HA    LEU   80 - HG    LEU   80   3.36 +/- 0.46  59.163% * 95.6034% (0.63  10.0   4.95  86.10) =  99.471%  kept
          HA    ASP-  78 - HG    LEU   80   7.94 +/- 1.10   5.991% *  2.5133% (0.39   1.0   0.85   6.26) =   0.265%  kept
          HA    THR   23 - HG    LEU   80  12.20 +/- 8.12  12.209% *  1.1476% (0.58   1.0   0.26   0.91) =   0.246%  kept
          HB    THR   23 - HG    LEU   80  14.18 +/- 8.05   3.507% *  0.0875% (0.58   1.0   0.02   0.91) =   0.005%
          HB    THR   23 - HG    LEU   73  11.12 +/- 2.65   3.576% *  0.0347% (0.23   1.0   0.02   0.21) =   0.002%
          HA    THR   23 - HG    LEU   73  10.49 +/- 2.18   3.412% *  0.0347% (0.23   1.0   0.02   0.21) =   0.002%
          HA    ASP- 105 - HG    LEU   40  12.62 +/- 3.42   1.971% *  0.0475% (0.31   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HG12  ILE   19  12.20 +/- 2.01   2.369% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.38 +/- 1.16   1.576% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  14.72 +/- 3.91   1.191% *  0.0379% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  20.20 +/- 4.60   0.660% *  0.0631% (0.42   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  19.59 +/- 2.40   0.448% *  0.0658% (0.44   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  19.06 +/- 1.88   0.427% *  0.0658% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.54 +/- 3.10   1.032% *  0.0250% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  20.58 +/- 2.43   0.326% *  0.0719% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  21.24 +/- 2.22   0.361% *  0.0445% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  19.31 +/- 5.52   0.494% *  0.0325% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  16.52 +/- 1.32   0.559% *  0.0235% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.90 +/- 3.12   0.372% *  0.0215% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.42 +/- 3.68   0.354% *  0.0201% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.199, support = 5.12, residual support = 141.6:
          HN    LEU   73 - HG    LEU   73   2.76 +/- 0.74  35.879% * 42.1778% (0.20   5.65 170.83) =  70.962%  kept
          HN    VAL   42 - HG    LEU   40   4.61 +/- 0.82   8.650% * 33.4641% (0.37   2.37   1.75) =  13.573%  kept
          HN    ILE   19 - HG12  ILE   19   3.23 +/- 1.03  30.974% *  8.0598% (0.03   6.24 171.19) =  11.706%  kept
          HN    VAL   42 - HG    LEU   73   6.11 +/- 1.68   5.653% * 10.2315% (0.20   1.37   1.52) =   2.712%  kept
          HN    ILE   19 - HG    LEU   73   6.46 +/- 3.44   5.496% *  3.6196% (0.04   2.40   4.96) =   0.933%  kept
          HN    LEU   73 - HG    LEU   40   7.67 +/- 1.83   3.599% *  0.2829% (0.37   0.02   0.02) =   0.048%
          HN    LEU   73 - HG12  ILE   19   7.34 +/- 3.20   4.011% *  0.1280% (0.17   0.02   4.96) =   0.024%
          HN    LEU   73 - HG    LEU   80  13.94 +/- 4.57   0.535% *  0.3760% (0.49   0.02   0.02) =   0.009%
          HN    VAL   42 - HG12  ILE   19  10.22 +/- 3.76   1.255% *  0.1280% (0.17   0.02   0.02) =   0.008%
          HN    ILE   19 - HG    LEU   40  10.78 +/- 3.00   2.336% *  0.0571% (0.08   0.02   0.02) =   0.006%
          HN    LYS+ 106 - HG    LEU   40  13.11 +/- 3.17   0.397% *  0.3092% (0.41   0.02   0.02) =   0.006%
          HN    VAL   42 - HG    LEU   80  15.75 +/- 3.65   0.265% *  0.3760% (0.49   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HG    LEU   80  19.24 +/- 4.34   0.166% *  0.4110% (0.54   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   73  15.39 +/- 3.12   0.325% *  0.1631% (0.21   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   80  16.65 +/- 7.47   0.371% *  0.0759% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.95 +/- 2.99   0.090% *  0.1399% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.92, residual support = 172.6:
      O T HA    LYS+  99 - HB3   LYS+  99   2.82 +/- 0.30  83.230% * 93.3685% (0.76  10.0 10.00   5.96 173.76) =  99.275%  kept
          HA    LEU   40 - HB3   LYS+  99   7.46 +/- 4.01  12.182% *  4.6030% (0.65   1.0  1.00   1.16   9.48) =   0.716%  kept
        T HA    ILE   56 - HB3   LYS+  99  23.40 +/- 4.15   0.206% *  1.1278% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HB3   LYS+  99  12.60 +/- 3.89   2.057% *  0.1096% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASP- 113 - HB3   LYS+  99  22.79 +/- 3.08   0.197% *  0.5023% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  20.65 +/- 8.59   0.496% *  0.1198% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LYS+  99  23.45 +/- 5.89   0.630% *  0.0548% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  18.59 +/- 4.08   0.602% *  0.0548% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  20.31 +/- 4.23   0.400% *  0.0595% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.84, residual support = 173.7:
      O   HN    LYS+  99 - HB3   LYS+  99   2.98 +/- 0.31  86.442% * 99.4797% (0.31  10.0   3.84 173.76) =  99.984%  kept
          HE1   HIS  122 - HB3   LYS+  99  16.34 +/- 9.54  11.184% *  0.0804% (0.25   1.0   0.02   0.02) =   0.010%
          HN    ASN   35 - HB3   LYS+  99  13.54 +/- 3.30   1.343% *  0.2692% (0.84   1.0   0.02   0.02) =   0.004%
          HN    ALA   12 - HB3   LYS+  99  26.22 +/- 6.57   0.524% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  21.72 +/- 5.22   0.507% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.99, residual support = 18.8:
        T QD1   LEU  104 - HB3   LYS+  99   2.78 +/- 0.76  96.270% * 97.7035% (0.41 10.00   2.00  18.80) =  99.978%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.42 +/- 2.15   0.916% *  1.9897% (0.84 10.00   0.02   0.02) =   0.019%
          QG1   VAL   83 - HB3   LYS+  99  16.59 +/- 3.38   0.961% *  0.2066% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   LYS+  99  16.50 +/- 3.01   1.129% *  0.0471% (0.20  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LYS+  99  18.57 +/- 3.27   0.725% *  0.0530% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.761, support = 1.86, residual support = 9.28:
        T QD2   LEU   40 - HB3   LYS+  99   6.06 +/- 4.44  56.533% * 95.9334% (0.76 10.00   1.88   9.48) =  97.726%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.70 +/- 0.51  33.500% *  3.7449% (0.61  1.00   0.92   0.48) =   2.261%  kept
          QD1   LEU   67 - HB3   LYS+  99  12.90 +/- 3.18   3.125% *  0.0970% (0.73  1.00   0.02   0.02) =   0.005%
          HB    VAL   75 - HB3   LYS+  99  16.40 +/- 2.04   2.135% *  0.1264% (0.95  1.00   0.02   0.02) =   0.005%
          QD1   ILE  119 - HB3   LYS+  99  16.22 +/- 4.17   3.403% *  0.0333% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB3   LYS+  99  19.46 +/- 2.15   1.304% *  0.0650% (0.49  1.00   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 4 structures by 0.83 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.57, residual support = 173.7:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.84 +/- 0.21  92.733% * 99.4593% (0.97  10.0   5.57 173.76) =  99.995%  kept
          HG2   LYS+  38 - HB3   LYS+  99  12.55 +/- 4.56   1.923% *  0.1028% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB3   LYS+  99  13.98 +/- 3.75   1.736% *  0.0708% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   LYS+  99  17.87 +/- 3.43   0.478% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.90 +/- 2.00   0.502% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  17.61 +/- 2.61   0.505% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  23.22 +/- 3.70   0.270% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.48 +/- 1.32   0.647% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  18.99 +/- 7.83   0.920% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  21.76 +/- 3.59   0.287% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.8:
      O T HB2   LYS+  99 - HA    LYS+  99   2.62 +/- 0.27  96.565% * 99.7492% (0.99  10.0 10.00   7.00 173.76) =  99.997%  kept
          HB    VAL   43 - HA    LYS+  99  10.96 +/- 1.25   1.532% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HA    LYS+  99  17.26 +/- 5.03   1.732% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    LYS+  99  23.75 +/- 2.59   0.171% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.727, support = 5.17, residual support = 180.6:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.49 +/- 0.29  30.534% * 58.3907% (0.99  10.0  1.00   5.14 173.76) =  59.473%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.32 +/- 0.14  36.187% * 20.0954% (0.34  10.0 10.00   5.27 173.76) =  24.257%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.67 +/- 0.23  24.411% * 19.9563% (0.34  10.0 10.00   5.17 215.77) =  16.251%  kept
        T QD    LYS+ 106 - HG12  ILE   89   8.98 +/- 3.75   5.075% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+ 106 - HG3   LYS+  99  12.45 +/- 1.44   0.329% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+  38  10.42 +/- 5.75   1.771% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+  99  20.35 +/- 3.42   0.065% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  21.14 +/- 2.86   0.055% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  18.29 +/- 3.25   0.087% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.18 +/- 2.89   0.178% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  12.42 +/- 5.10   0.579% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.15 +/- 3.67   0.044% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.59 +/- 3.48   0.084% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.86 +/- 2.42   0.147% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.70 +/- 3.42   0.078% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  15.19 +/- 3.39   0.247% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  26.21 +/- 3.01   0.028% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  16.95 +/- 1.49   0.101% *  0.0011% (0.02   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.42, residual support = 173.7:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.79 +/- 0.25  85.781% * 97.9462% (0.99  10.0 10.00   6.42 173.76) =  99.957%  kept
        T HB    VAL   43 - HG12  ILE   89   9.30 +/- 3.43   6.177% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.028%
        T HB    VAL   43 - HG3   LYS+  99  13.82 +/- 1.33   0.773% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LYS+  99 - HG3   LYS+  38  12.58 +/- 5.55   2.266% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG12  ILE   89  18.16 +/- 3.65   0.389% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG12  ILE   89  11.21 +/- 1.91   1.829% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  18.75 +/- 5.12   0.858% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG3   LYS+  99  26.23 +/- 2.78   0.119% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  16.94 +/- 3.28   1.152% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  23.53 +/- 4.00   0.219% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.90 +/- 1.20   0.357% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  29.09 +/- 2.89   0.080% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 112.5:
    * O   HA    GLN  116 - HG3   GLN  116   3.09 +/- 0.57  95.716% * 99.5202% (1.00  10.0   5.23 112.53) =  99.998%  kept
          HA    VAL   70 - HG3   GLN  116  20.42 +/- 3.49   0.589% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  21.09 +/- 3.80   0.704% *  0.0684% (0.69   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   GLN  116  17.85 +/- 4.72   1.735% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  26.80 +/- 4.70   0.424% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  28.92 +/- 3.59   0.169% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  28.37 +/- 3.51   0.190% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  26.72 +/- 3.53   0.187% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  24.74 +/- 3.88   0.286% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.75, residual support = 112.5:
      O   HB2   GLN  116 - HG3   GLN  116   2.62 +/- 0.35  95.544% * 99.6757% (0.98  10.0   5.75 112.53) =  99.997%  kept
          HB2   PRO   58 - HG3   GLN  116  10.64 +/- 2.50   3.175% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG3   GLN  116  16.28 +/- 3.80   0.740% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG3   GLN  116  21.08 +/- 4.16   0.291% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.65 +/- 3.82   0.134% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  26.81 +/- 3.01   0.117% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 6.7, residual support = 102.2:
          QD2   LEU  115 - HG3   GLN  116   4.10 +/- 0.60  70.935% * 98.7509% (0.97   6.71 102.28) =  99.929%  kept
          QD1   LEU   63 - HG3   GLN  116  11.46 +/- 3.38  13.346% *  0.2095% (0.69   0.02   0.02) =   0.040%
          QD2   LEU   80 - HG3   GLN  116  20.01 +/- 4.65   2.053% *  0.2990% (0.98   0.02   0.02) =   0.009%
          QD1   LEU  104 - HG3   GLN  116  16.20 +/- 3.30   1.871% *  0.2990% (0.98   0.02   0.02) =   0.008%
          QD2   LEU   63 - HG3   GLN  116  12.03 +/- 3.06   8.657% *  0.0471% (0.15   0.02   0.02) =   0.006%
          QD1   LEU   73 - HG3   GLN  116  17.64 +/- 3.33   1.605% *  0.2095% (0.69   0.02   0.02) =   0.005%
          QG1   VAL   83 - HG3   GLN  116  19.33 +/- 4.01   1.534% *  0.1850% (0.61   0.02   0.02) =   0.004%
    Distance limit 3.91 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.47, residual support = 112.5:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.514% * 99.7025% (0.98  10.0  1.00   5.47 112.53) =  99.999%  kept
          HB3   PHE   95 - HG3   GLN  116  12.19 +/- 2.47   0.421% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  29.05 +/- 5.44   0.066% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.686, support = 4.14, residual support = 112.4:
      O   HE21  GLN  116 - HG3   GLN  116   3.18 +/- 0.60  75.998% * 99.1403% (0.69  10.0   4.14 112.53) =  99.846%  kept
          HN    ALA  120 - HG3   GLN  116   5.76 +/- 1.26  18.794% *  0.5879% (0.31   1.0   0.26   0.27) =   0.146%  kept
          HN    ALA   57 - HG3   GLN  116   9.66 +/- 1.95   4.668% *  0.1103% (0.76   1.0   0.02   0.02) =   0.007%
          HE21  GLN   90 - HG3   GLN  116  22.47 +/- 4.02   0.408% *  0.1393% (0.97   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG3   GLN  116  29.23 +/- 3.51   0.133% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.697, support = 6.95, residual support = 105.9:
          HN    GLN  116 - HG3   GLN  116   3.93 +/- 0.53  60.963% * 82.2020% (0.69   7.33 112.53) =  94.057%  kept
          HN    THR  118 - HG3   GLN  116   6.45 +/- 0.73  19.201% * 15.0641% (0.92   1.00   0.13) =   5.429%  kept
          HN    GLU- 114 - HG3   GLN  116   7.12 +/- 1.07  10.897% *  2.2487% (0.25   0.55   1.98) =   0.460%  kept
          HN    PHE   60 - HG3   GLN  116  10.15 +/- 1.94   8.679% *  0.3264% (1.00   0.02   0.02) =   0.053%
          HN    GLU-  15 - HG3   GLN  116  28.06 +/- 3.91   0.260% *  0.1589% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.913, support = 6.55, residual support = 177.4:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  44.238% * 83.1281% (1.00  10.0 10.00   6.56 173.76) =  90.511%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  44.238% *  8.3901% (0.10  10.0 10.00   6.57 220.08) =   9.135%  kept
          QB    ALA   88 - HG12  ILE   89   4.82 +/- 0.46   2.352% *  5.8800% (0.28   1.0  1.00   5.07   9.11) =   0.340%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  11.23 +/- 5.30   0.445% *  0.8040% (0.97   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  99 - HG3   LYS+  38  10.77 +/- 5.94   0.503% *  0.0867% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  15.16 +/- 2.62   0.098% *  0.3119% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG12  ILE   89   5.13 +/- 1.28   4.171% *  0.0059% (0.07   1.0  1.00   0.02  12.93) =   0.001%
          HB2   LEU   31 - HG3   LYS+  99  14.01 +/- 3.71   0.232% *  0.0723% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.93 +/- 3.78   0.021% *  0.7691% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.76 +/- 1.21   0.682% *  0.0208% (0.25   1.0  1.00   0.02  17.74) =   0.000%
          QG2   THR   77 - HG12  ILE   89   7.90 +/- 2.50   0.930% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.90 +/- 1.56   0.337% *  0.0245% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.83 +/- 1.78   0.244% *  0.0164% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  19.19 +/- 7.96   0.103% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  18.50 +/- 2.41   0.045% *  0.0505% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.49 +/- 3.43   0.039% *  0.0572% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.90 +/- 1.12   0.052% *  0.0406% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  19.73 +/- 4.62   0.050% *  0.0293% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.01 +/- 1.14   0.275% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.20 +/- 3.44   0.023% *  0.0605% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.75 +/- 2.13   0.060% *  0.0205% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.15 +/- 1.96   0.044% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  14.21 +/- 4.18   0.135% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  20.31 +/- 3.66   0.034% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.85 +/- 1.46   0.129% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  25.73 +/- 3.26   0.016% *  0.0326% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  20.25 +/- 2.18   0.032% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  14.20 +/- 4.53   0.201% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.99 +/- 1.36   0.023% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.53 +/- 2.93   0.023% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.92 +/- 2.93   0.041% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  22.82 +/- 7.75   0.050% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.51 +/- 1.59   0.029% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  24.17 +/- 3.47   0.020% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.40 +/- 3.87   0.016% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.88 +/- 3.60   0.010% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.69 +/- 2.02   0.026% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  23.65 +/- 2.04   0.019% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.46 +/- 2.05   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                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1253
      with multiple volume contributions     :    977
      eliminated by violation filter         :     87
 
    Peaks:
      selected                               :   2699
      without assignment                     :    110
      with assignment                        :   2589
      with unique assignment                 :   1553
      with multiple assignment               :   1036
      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             :    984
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QD1   LEU   40       2.7
    QD2   LEU   40       3.8
    QD    PHE   45       3.8
    QG2   ILE   56       3.0
    HN    LYS+  65       5.2
    HZ    PHE   72       2.5
    HA    THR  118       3.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 72.3:
        T HA    PHE   60 - QD    PHE   60   2.93 +/- 0.52  84.363% * 98.3426% (0.87 10.00   3.95  72.39) =  99.923%  kept
        T QB    SER  117 - QD    PHE   60  12.06 +/- 2.40   4.326% *  1.0168% (0.90 10.00   0.02   0.02) =   0.053%
        T QB    SER   48 - QD    PHE   60  10.09 +/- 2.72   3.706% *  0.4255% (0.38 10.00   0.02   0.02) =   0.019%
          HB    THR   94 - QD    PHE   60  11.42 +/- 2.61   2.916% *  0.0552% (0.49  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    PHE   60  11.77 +/- 1.77   1.585% *  0.0733% (0.65  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD    PHE   60  14.03 +/- 2.00   1.381% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  12.70 +/- 1.77   1.724% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 1.02, residual support = 70.6:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  91.829% * 80.9277% (0.69  10.0   1.00  70.62) =  99.049%  kept
          HN    TRP   87 - HZ3   TRP   87   7.23 +/- 0.23   3.803% * 18.5976% (0.61   1.0   2.60  70.62) =   0.943%  kept
          HN    GLN   17 - HZ3   TRP   87  22.36 +/- 7.50   2.660% *  0.1801% (0.76   1.0   0.02   0.02) =   0.006%
          HN    ALA   91 - HZ3   TRP   87  13.24 +/- 1.68   1.108% *  0.0727% (0.31   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  21.59 +/- 6.25   0.365% *  0.1334% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HZ3   TRP   87  19.44 +/- 3.08   0.235% *  0.0884% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  18.72 +/- 3.91 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.13 A violated in 20 structures by 13.60 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.14, residual support = 5.5:
          QB    ALA   20 - HE1   HIS   22   3.42 +/- 0.52  94.008% * 93.5482% (0.76   1.14   5.51) =  99.909%  kept
          QG2   VAL  107 - HE1   HIS   22  18.60 +/- 3.79   1.988% *  2.0362% (0.95   0.02   0.02) =   0.046%
          HG13  ILE  103 - HE1   HIS   22  22.20 +/- 4.18   1.860% *  1.1325% (0.53   0.02   0.02) =   0.024%
          HG2   LYS+ 121 - HE1   HIS   22  26.48 +/- 5.89   0.371% *  2.1478% (1.00   0.02   0.02) =   0.009%
          HG13  ILE  119 - HE1   HIS   22  21.65 +/- 5.81   1.022% *  0.5985% (0.28   0.02   0.02) =   0.007%
          HB3   LEU   31 - HE1   HIS   22  17.85 +/- 1.10   0.751% *  0.5367% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.26 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 = 0.463, support = 4.26, residual support = 33.8:
          HN    ASN   28 - HD1   TRP   27   2.94 +/- 0.46  79.248% * 35.4434% (0.25   5.06  47.32) =  71.082%  kept
          HN    GLU-  25 - HD1   TRP   27   4.92 +/- 0.59  17.854% * 63.9198% (0.99   2.30   0.65) =  28.881%  kept
          HN    ASP-  44 - HD1   TRP   27  11.53 +/- 2.69   2.602% *  0.5502% (0.98   0.02   0.02) =   0.036%
          HN    ALA  110 - HD1   TRP   27  21.87 +/- 3.35   0.296% *  0.0866% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.97, residual support = 100.7:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.97 100.69) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.55, residual support = 100.7:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  96.271% * 99.9799% (0.89  10.0   1.55 100.69) =  99.999%  kept
          HZ3   TRP   27 - HN    LEU   67  12.59 +/- 2.71   3.729% *  0.0201% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.956, support = 3.85, residual support = 100.7:
          HA    TRP   27 - HE3   TRP   27   3.08 +/- 0.47  92.939% * 98.4230% (0.96   3.85 100.69) =  99.989%  kept
          HA    VAL  107 - HE3   TRP   27  18.01 +/- 2.28   0.614% *  0.4895% (0.91   0.02   0.02) =   0.003%
          HA    ALA   91 - HE3   TRP   27  20.18 +/- 3.37   0.469% *  0.5255% (0.98   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    LEU   67  14.93 +/- 2.16   1.557% *  0.0796% (0.15   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  17.01 +/- 3.17   1.063% *  0.0762% (0.14   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  22.78 +/- 3.00   0.362% *  0.1990% (0.37   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    LEU   67  20.36 +/- 3.65   0.796% *  0.0818% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    LEU   67  18.84 +/- 3.75   1.063% *  0.0310% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  21.18 +/- 2.04   0.347% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.69 +/- 4.23   0.788% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 100.7:
      O   HB3   TRP   27 - HE3   TRP   27   2.68 +/- 0.20  92.485% * 98.0783% (0.17  10.0   4.50 100.69) =  99.983%  kept
          QE    LYS+  38 - HE3   TRP   27  14.40 +/- 2.36   0.842% *  0.5551% (0.98   1.0   0.02   0.02) =   0.005%
          QE    LYS+  99 - HE3   TRP   27  13.53 +/- 2.41   0.980% *  0.4678% (0.83   1.0   0.02   0.02) =   0.005%
          QE    LYS+ 102 - HE3   TRP   27  16.67 +/- 3.79   0.606% *  0.5405% (0.96   1.0   0.02   0.02) =   0.004%
          HB2   PHE   97 - HE3   TRP   27  14.18 +/- 2.69   1.148% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  16.55 +/- 3.27   0.954% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    LEU   67  14.61 +/- 3.56   0.929% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  21.07 +/- 2.07   0.214% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  14.28 +/- 2.59   1.046% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  15.06 +/- 2.74   0.795% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.628, support = 2.21, residual support = 13.3:
          QD2   LEU   73 - HE3   TRP   27   3.57 +/- 1.98  27.752% * 19.5035% (0.28   3.09  22.62) =  37.139%  kept
          QG1   VAL   43 - HE3   TRP   27   6.92 +/- 3.39  10.881% * 48.1525% (0.99   2.12   3.58) =  35.950%  kept
          HG    LEU   31 - HE3   TRP   27   3.97 +/- 0.54  16.782% * 13.0133% (0.41   1.39  24.08) =  14.985%  kept
          QG1   VAL   41 - HE3   TRP   27   7.04 +/- 2.82   9.433% * 17.3210% (0.94   0.81   0.13) =  11.211%  kept
          QG2   VAL   18 - HN    LEU   67   7.32 +/- 3.49   7.681% *  0.5310% (0.14   0.16   0.02) =   0.280%  kept
          QG2   VAL   18 - HE3   TRP   27   8.49 +/- 1.85   8.557% *  0.4193% (0.91   0.02   0.02) =   0.246%  kept
          QD1   ILE   19 - HE3   TRP   27   6.68 +/- 1.59   9.578% *  0.2211% (0.48   0.02   0.02) =   0.145%  kept
          QG2   THR   46 - HE3   TRP   27  11.69 +/- 1.94   0.563% *  0.3794% (0.83   0.02   0.02) =   0.015%
          QD2   LEU  104 - HE3   TRP   27  12.55 +/- 2.83   0.773% *  0.1550% (0.34   0.02   0.02) =   0.008%
          QG2   THR   46 - HN    LEU   67  10.17 +/- 2.91   1.473% *  0.0590% (0.13   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    LEU   67  15.28 +/- 3.18   1.991% *  0.0291% (0.06   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    LEU   67  10.79 +/- 1.02   0.818% *  0.0707% (0.15   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    LEU   67  11.22 +/- 1.53   0.629% *  0.0669% (0.15   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LEU   67   9.30 +/- 1.12   1.908% *  0.0197% (0.04   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   67  11.36 +/- 2.04   0.858% *  0.0344% (0.08   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    LEU   67  14.50 +/- 2.27   0.324% *  0.0241% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.13 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 = 0.391, support = 5.53, residual support = 19.2:
          QD1   LEU   73 - HE3   TRP   27   3.11 +/- 2.78  57.768% * 43.9151% (0.37   6.24  22.62) =  82.014%  kept
          QD1   LEU   63 - HE3   TRP   27  10.56 +/- 4.27  24.472% * 16.2958% (0.37   2.31   2.78) =  12.892%  kept
          QD2   LEU   80 - HE3   TRP   27  10.79 +/- 6.60   4.153% * 35.3376% (0.76   2.46   5.12) =   4.745%  kept
          QG1   VAL   83 - HE3   TRP   27  10.97 +/- 5.49   2.238% *  2.9588% (0.89   0.18   0.18) =   0.214%  kept
          QD1   LEU   63 - HN    LEU   67   5.54 +/- 1.09   5.405% *  0.5283% (0.06   0.48   0.02) =   0.092%
          QD1   LEU  104 - HE3   TRP   27  12.67 +/- 2.99   3.111% *  0.3549% (0.94   0.02   0.02) =   0.036%
          QD2   LEU  115 - HE3   TRP   27  15.78 +/- 1.76   0.267% *  0.2724% (0.72   0.02   0.02) =   0.002%
          QG2   ILE   89 - HE3   TRP   27  13.02 +/- 3.27   0.445% *  0.1043% (0.28   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   67  13.95 +/- 2.42   0.513% *  0.0552% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   67  12.11 +/- 2.07   0.432% *  0.0424% (0.11   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  11.18 +/- 1.17   0.532% *  0.0219% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  15.99 +/- 2.47   0.184% *  0.0524% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  15.43 +/- 2.31   0.209% *  0.0446% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  14.74 +/- 2.50   0.271% *  0.0162% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.666, support = 0.636, residual support = 0.822:
          QG2   VAL   75 - HE3   TRP   27   6.82 +/- 3.00  37.807% * 55.6308% (0.72   0.64   1.07) =  67.275%  kept
          QG2   VAL   42 - HE3   TRP   27   8.72 +/- 1.79  23.096% * 43.8843% (0.56   0.64   0.32) =  32.420%  kept
          QG2   VAL   75 - HN    LEU   67   9.01 +/- 1.44  20.641% *  0.2724% (0.11   0.02   0.02) =   0.180%  kept
          QG2   VAL   42 - HN    LEU   67   8.29 +/- 1.94  18.455% *  0.2124% (0.09   0.02   0.02) =   0.125%  kept
    Distance limit 4.39 A violated in 6 structures by 0.99 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.7, residual support = 35.1:
      O T HB2   HIS   22 - HD2   HIS   22   3.88 +/- 0.27  92.461% * 99.9216% (0.92  10.0 10.00   2.70  35.14) =  99.997%  kept
          HA    LEU   63 - HD2   HIS   22  16.93 +/- 3.47   2.897% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 112 - HD2   HIS   22  23.83 +/- 6.62   4.642% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.59 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 = 3.25, residual support = 35.1:
      O T HB3   HIS   22 - HD2   HIS   22   2.97 +/- 0.24  98.053% * 99.8217% (0.45  10.0 10.00   3.25  35.14) =  99.996%  kept
          HD3   ARG+  54 - HD2   HIS   22  23.40 +/- 7.43   1.947% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 4.48 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 = 0.831, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   9.50 +/- 2.96  42.135% * 29.7119% (0.92   0.02   0.02) =  55.017%  kept
          QB    CYS   50 - HD2   HIS   22  17.01 +/- 5.18  19.640% * 28.8658% (0.90   0.02   0.02) =  24.915%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.58 +/- 4.53  14.202% * 19.5221% (0.61   0.02   0.02) =  12.184%  kept
          HB2   PHE   72 - HD2   HIS   22  12.84 +/- 1.82  19.003% *  4.9662% (0.15   0.02   0.02) =   4.147%  kept
          HB3   ASN   69 - HD2   HIS   22  20.87 +/- 2.22   5.020% * 16.9340% (0.53   0.02   0.02) =   3.736%  kept
    Distance limit 5.17 A violated in 15 structures by 3.38 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.2, residual support = 5.5:
        T QB    ALA   20 - HD2   HIS   22   3.66 +/- 0.66  95.694% * 98.9678% (0.28 10.00   2.20   5.51) =  99.992%  kept
          QG2   VAL  107 - HD2   HIS   22  18.55 +/- 3.54   0.937% *  0.3088% (0.87  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HD2   HIS   22  20.90 +/- 3.69   0.655% *  0.3435% (0.97  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HD2   HIS   22  26.00 +/- 6.75   0.544% *  0.2303% (0.65  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HD2   HIS   22  16.35 +/- 2.18   1.295% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  24.57 +/- 7.03   0.875% *  0.0792% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  18.86 +/- 3.34 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.11 A violated in 20 structures by 13.74 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.944, support = 3.24, residual support = 8.25:
          HA    CYS   21 - HD2   HIS   22   3.85 +/- 0.37  70.519% * 97.4373% (0.95   3.24   8.27) =  99.805%  kept
          HA    CYS   50 - HD2   HIS   22  20.08 +/- 6.23   9.959% *  0.6010% (0.95   0.02   0.02) =   0.087%
          HA    TRP   49 - HD2   HIS   22  20.12 +/- 5.75   7.688% *  0.6353% (1.00   0.02   0.02) =   0.071%
          HA    ALA   47 - HD2   HIS   22  17.30 +/- 4.39   9.738% *  0.1766% (0.28   0.02   0.02) =   0.025%
          HA    LYS+ 102 - HD2   HIS   22  23.39 +/- 4.24   1.258% *  0.4110% (0.65   0.02   0.02) =   0.008%
          HA1   GLY  109 - HD2   HIS   22  25.59 +/- 4.04   0.399% *  0.6131% (0.97   0.02   0.02) =   0.004%
          HA    VAL  108 - HD2   HIS   22  22.85 +/- 3.18   0.437% *  0.1257% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.961, support = 3.2, residual support = 46.0:
          HA    ASN   28 - HD1   TRP   27   4.07 +/- 0.29  68.478% * 79.0578% (1.00   3.22  47.32) =  94.886%  kept
          HA    THR   26 - HD1   TRP   27   6.75 +/- 0.56  15.483% * 18.5485% (0.28   2.72  22.68) =   5.033%  kept
          HA1   GLY  101 - HD1   TRP   27  17.56 +/- 5.95   5.681% *  0.3755% (0.76   0.02   0.02) =   0.037%
          HA    ALA   34 - HD1   TRP   27  12.98 +/- 0.68   2.201% *  0.4536% (0.92   0.02   0.02) =   0.018%
          HA    LYS+  81 - HD1   TRP   27  15.71 +/- 7.03   4.643% *  0.0972% (0.20   0.02   0.02) =   0.008%
          HA    LEU  115 - HD1   TRP   27  21.35 +/- 3.25   0.883% *  0.4870% (0.99   0.02   0.02) =   0.008%
          HA    ARG+  54 - HD1   TRP   27  22.72 +/- 3.96   0.761% *  0.3375% (0.69   0.02   0.02) =   0.005%
          HA    GLU- 114 - HD1   TRP   27  24.42 +/- 3.48   0.554% *  0.2980% (0.61   0.02   0.02) =   0.003%
          HA    ALA  124 - HD1   TRP   27  27.14 +/- 5.89   0.461% *  0.2782% (0.57   0.02   0.02) =   0.002%
          HA    GLU-  36 - HD1   TRP   27  17.74 +/- 0.36   0.854% *  0.0665% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.1, residual support = 27.0:
          HA    VAL   24 - HD1   TRP   27   2.26 +/- 0.52  98.863% * 99.5204% (1.00   5.10  27.00) =  99.998%  kept
          HA    LYS+  38 - HD1   TRP   27  16.50 +/- 1.45   0.363% *  0.2687% (0.69   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  18.60 +/- 4.16   0.373% *  0.1335% (0.34   0.02   0.02) =   0.001%
          HA    ALA   61 - HD1   TRP   27  15.85 +/- 3.26   0.400% *  0.0774% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 100.7:
      O T HB2   TRP   27 - HD1   TRP   27   2.68 +/- 0.08  97.846% * 99.7544% (0.65  10.0 10.00   3.65 100.69) =  99.997%  kept
          HA    THR   77 - HD1   TRP   27  13.58 +/- 4.11   1.510% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  19.80 +/- 3.83   0.645% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 100.7:
      O T HB3   TRP   27 - HD1   TRP   27   3.76 +/- 0.11  92.315% * 99.6316% (0.73  10.0 10.00   4.08 100.69) =  99.990%  kept
          HB3   PHE   60 - HD1   TRP   27  17.52 +/- 4.48   2.780% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   97 - HD1   TRP   27  16.71 +/- 3.52   3.328% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 106 - HD1   TRP   27  17.02 +/- 3.76   1.578% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.758, support = 3.52, residual support = 27.0:
        T QG2   VAL   24 - HD1   TRP   27   2.14 +/- 0.47  77.899% * 92.8097% (0.76 10.00   3.54  27.00) =  98.606%  kept
          QG1   VAL   24 - HD1   TRP   27   3.94 +/- 0.82  19.951% *  5.0103% (0.31  1.00   2.67  27.00) =   1.363%  kept
          HG    LEU   63 - HD1   TRP   27  16.02 +/- 5.00   1.454% *  1.3403% (0.61  1.00   0.36   2.78) =   0.027%
        T QG1   VAL  107 - HD1   TRP   27  16.55 +/- 2.07   0.408% *  0.7856% (0.65 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HD1   TRP   27  24.20 +/- 4.84   0.157% *  0.0270% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  24.06 +/- 4.77   0.132% *  0.0270% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.683, support = 2.76, residual support = 10.4:
          QD2   LEU   80 - HD1   TRP   27   9.57 +/- 7.59  29.599% * 38.6881% (0.87   2.67   5.12) =  44.581%  kept
          QD1   LEU   73 - HD1   TRP   27   5.80 +/- 2.86  30.302% * 28.9804% (0.49   3.56  22.62) =  34.188%  kept
          QD1   LEU   63 - HD1   TRP   27  13.35 +/- 4.95  18.987% * 17.0848% (0.49   2.10   2.78) =  12.629%  kept
          QG1   VAL   83 - HD1   TRP   27   9.64 +/- 6.55  15.045% * 14.5691% (0.80   1.09   0.18) =   8.533%  kept
          QD1   LEU  104 - HD1   TRP   27  14.91 +/- 3.85   4.675% *  0.3318% (0.99   0.02   0.02) =   0.060%
          QD2   LEU  115 - HD1   TRP   27  17.53 +/- 2.31   0.452% *  0.2796% (0.84   0.02   0.02) =   0.005%
          QG2   ILE   89 - HD1   TRP   27  12.88 +/- 3.85   0.941% *  0.0662% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.20 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 = 0.759, support = 1.82, residual support = 21.2:
          QD2   LEU   31 - HD1   TRP   27   4.37 +/- 0.69  64.212% * 76.9716% (0.73   2.02  24.08) =  87.766%  kept
          QG2   VAL   83 - HD1   TRP   27  10.10 +/- 5.53  30.987% * 22.0867% (1.00   0.42   0.18) =  12.153%  kept
          QD1   ILE   89 - HD1   TRP   27  12.51 +/- 3.66   4.801% *  0.9417% (0.90   0.02   0.02) =   0.080%
    Distance limit 4.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.279, support = 1.29, residual support = 100.5:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  95.997% * 96.4197% (0.28  10.0 10.00   1.30 100.69) =  99.845%  kept
          HZ    PHE   72 - HH2   TRP   27  10.72 +/- 2.37   4.003% *  3.5803% (0.69   1.0  1.00   0.30   0.02) =   0.155%  kept
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.07, residual support = 100.7:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.07 100.69) = 100.000%  kept
    Distance limit 5.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.55, residual support = 100.7:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  93.154% * 99.6506% (1.00  10.0   1.55 100.69) =  99.996%  kept
          HN    THR   23 - HZ3   TRP   27   9.79 +/- 0.55   1.590% *  0.0783% (0.61   1.0   0.02   1.32) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  12.59 +/- 2.71   3.608% *  0.0322% (0.25   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HZ3   TRP   27  12.71 +/- 1.59   0.849% *  0.0835% (0.65   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HZ3   TRP   27  20.47 +/- 2.50   0.202% *  0.1266% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  17.35 +/- 5.29   0.596% *  0.0287% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 1.31, residual support = 6.99:
        T QG1   VAL   43 - HH2   TRP   27   5.71 +/- 4.06  26.751% * 77.3023% (0.92 10.00   1.14   3.58) =  80.969%  kept
          HG    LEU   31 - HH2   TRP   27   3.95 +/- 1.10  29.250% * 10.6860% (0.65  1.00   2.24  24.08) =  12.238%  kept
          QD2   LEU   73 - HH2   TRP   27   5.39 +/- 2.01  17.121% *  7.5363% (0.49  1.00   2.10  22.62) =   5.052%  kept
          QG1   VAL   41 - HH2   TRP   27   6.45 +/- 2.90  10.432% *  4.1753% (1.00  1.00   0.57   0.13) =   1.705%  kept
          QG2   VAL   18 - HH2   TRP   27  10.70 +/- 1.93   4.341% *  0.1071% (0.73  1.00   0.02   0.02) =   0.018%
          QD2   LEU  104 - HH2   TRP   27  10.42 +/- 3.66   8.088% *  0.0258% (0.18  1.00   0.02   0.02) =   0.008%
          QG2   THR   46 - HH2   TRP   27  12.16 +/- 2.40   1.231% *  0.0895% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HH2   TRP   27   9.44 +/- 2.03   2.364% *  0.0410% (0.28  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HH2   TRP   27  16.30 +/- 2.29   0.423% *  0.0368% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.52 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 = 0.848, support = 1.86, residual support = 7.93:
        T QG1   VAL   43 - HZ3   TRP   27   5.98 +/- 3.58  17.308% * 83.3574% (0.92 10.00   1.73   3.58) =  76.531%  kept
          HG    LEU   31 - HZ3   TRP   27   3.47 +/- 1.15  28.983% *  8.4100% (0.65  1.00   2.49  24.08) =  12.929%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.78 +/- 2.12  29.681% *  5.8291% (0.49  1.00   2.29  22.62) =   9.178%  kept
          QG1   VAL   41 - HZ3   TRP   27   5.84 +/- 2.78  11.419% *  2.1908% (1.00  1.00   0.42   0.13) =   1.327%  kept
          QG2   VAL   18 - HZ3   TRP   27   9.06 +/- 1.94   6.246% *  0.0759% (0.73  1.00   0.02   0.02) =   0.025%
          QD1   ILE   19 - HZ3   TRP   27   7.59 +/- 1.79   4.003% *  0.0291% (0.28  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HZ3   TRP   27  11.75 +/- 2.05   0.511% *  0.0634% (0.61  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HZ3   TRP   27  11.01 +/- 3.06   1.635% *  0.0183% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HZ3   TRP   27  15.99 +/- 1.99   0.215% *  0.0261% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 0.892, support = 2.9, residual support = 17.4:
        T QD1   LEU   73 - HZ3   TRP   27   4.14 +/- 2.61  30.388% * 57.0619% (0.90 10.00   3.47  22.62) =  73.462%  kept
        T QD1   LEU   63 - HZ3   TRP   27  10.18 +/- 3.72  15.509% * 38.4260% (0.90 10.00   1.35   2.78) =  25.247%  kept
          QD2   LEU   80 - HZ3   TRP   27  11.68 +/- 5.93   4.656% *  2.4757% (0.53  1.00   1.48   5.12) =   0.488%  kept
          QD2   LEU   63 - HZ3   TRP   27   9.96 +/- 2.88   6.484% *  1.2768% (0.84  1.00   0.48   2.78) =   0.351%  kept
          QG2   VAL   41 - HZ3   TRP   27   5.15 +/- 3.46  23.496% *  0.3327% (0.28  1.00   0.38   0.13) =   0.331%  kept
          QD1   LEU   80 - HZ3   TRP   27  12.32 +/- 6.60   8.625% *  0.1846% (0.15  1.00   0.38   5.12) =   0.067%
        T QD1   LEU  104 - HZ3   TRP   27  11.17 +/- 3.12   6.169% *  0.1964% (0.31 10.00   0.02   0.02) =   0.051%
          QD2   LEU   98 - HZ3   TRP   27   7.62 +/- 3.40   4.203% *  0.0098% (0.15  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ3   TRP   27  15.10 +/- 1.48   0.470% *  0.0360% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.02 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 = 0.763, support = 3.37, residual support = 24.1:
        T QD2   LEU   31 - HZ3   TRP   27   2.84 +/- 0.45  85.524% * 99.1550% (0.76 10.00   3.38  24.08) =  99.902%  kept
          QG2   VAL   83 - HZ3   TRP   27  10.76 +/- 4.90  10.836% *  0.7324% (1.00  1.00   0.11   0.18) =   0.093%
          QD1   ILE   89 - HZ3   TRP   27  11.84 +/- 3.60   3.640% *  0.1125% (0.87  1.00   0.02   0.02) =   0.005%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.766, support = 3.52, residual support = 23.8:
          QD2   LEU   31 - HH2   TRP   27   3.19 +/- 0.33  76.687% * 95.4217% (0.76   3.55  24.08) =  99.000%  kept
          QG2   VAL   83 - HH2   TRP   27  10.19 +/- 5.29  17.772% *  3.9685% (1.00   0.11   0.18) =   0.954%  kept
          QD1   ILE   89 - HH2   TRP   27  11.20 +/- 4.17   5.542% *  0.6098% (0.87   0.02   0.02) =   0.046%
    Distance limit 4.54 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 = 0.968, support = 2.85, residual support = 17.4:
          QD1   LEU   73 - HH2   TRP   27   5.56 +/- 2.55  18.835% * 57.1914% (1.00   3.47  22.62) =  72.899%  kept
          QD1   LEU   63 - HH2   TRP   27  10.98 +/- 3.84  12.196% * 21.7365% (1.00   1.32   2.78) =  17.941%  kept
          QD2   LEU   80 - HH2   TRP   27  11.87 +/- 5.77   5.227% * 16.2460% (0.76   1.29   5.12) =   5.747%  kept
          QD2   LEU   63 - HH2   TRP   27  10.67 +/- 3.29  10.067% *  3.8951% (0.61   0.39   2.78) =   2.654%  kept
          QG1   VAL   83 - HH2   TRP   27  10.50 +/- 5.65  18.532% *  0.4481% (0.15   0.18   0.18) =   0.562%  kept
          QD1   LEU  104 - HH2   TRP   27  10.71 +/- 3.66   9.506% *  0.1737% (0.53   0.02   0.02) =   0.112%  kept
          QG2   VAL   41 - HH2   TRP   27   5.86 +/- 3.51  25.051% *  0.0447% (0.14   0.02   0.13) =   0.076%
          QD2   LEU  115 - HH2   TRP   27  15.18 +/- 1.66   0.586% *  0.2644% (0.80   0.02   0.02) =   0.010%
    Distance limit 5.16 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 = 1.3, residual support = 100.7:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.30 100.69) = 100.000%  kept
    Distance limit 3.90 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 = 0.891, support = 2.16, residual support = 38.2:
          HD21  ASN   28 - HZ2   TRP   27   4.79 +/- 0.71  49.627% * 74.4988% (0.87   2.55  47.32) =  78.218%  kept
          HZ2   TRP   87 - HZ2   TRP   27  10.64 +/- 7.19  41.483% * 24.7528% (0.98   0.75   5.58) =  21.724%  kept
          QE    PHE   60 - HZ2   TRP   27  13.48 +/- 4.22   4.446% *  0.4626% (0.69   0.02   0.02) =   0.044%
          HN    LEU   63 - HZ2   TRP   27  15.24 +/- 3.20   3.625% *  0.1679% (0.25   0.02   2.78) =   0.013%
          HN    ILE   56 - HZ2   TRP   27  21.33 +/- 3.23   0.819% *  0.1179% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.46, residual support = 100.7:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.46 100.69) = 100.000%  kept
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 5.58:
          HE1   TRP   87 - HZ2   TRP   27  10.95 +/- 7.34 100.000% *100.0000% (0.92   2.00   5.58) = 100.000%  kept
    Distance limit 4.83 A violated in 11 structures by 6.81 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.621, support = 3.15, residual support = 17.4:
        T QD2   LEU   31 - HZ2   TRP   27   3.28 +/- 0.54  64.275% * 53.2817% (0.49 10.00   4.23  24.08) =  67.234%  kept
        T QG2   VAL   43 - HZ2   TRP   27   6.41 +/- 4.09  35.725% * 46.7183% (0.90 10.00   0.95   3.58) =  32.766%  kept
    Distance limit 4.34 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 = 2.99, residual support = 12.6:
        T QD1   ILE   89 - QD    PHE   45   3.38 +/- 1.61  64.476% * 87.1502% (0.90 10.00   3.01  13.31) =  93.702%  kept
          QG2   VAL   83 - QD    PHE   45   5.27 +/- 1.79  29.521% * 12.7792% (1.00  1.00   2.63   2.38) =   6.291%  kept
          QD2   LEU   31 - QD    PHE   45  10.65 +/- 2.35   6.003% *  0.0706% (0.73  1.00   0.02   0.02) =   0.007%
    Distance limit 4.19 A violated in 1 structures by 0.22 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 2.91, residual support = 9.74:
          QD1   ILE   89 - QE    PHE   45   3.41 +/- 1.86  54.974% * 57.3592% (0.97   3.19  13.31) =  67.319%  kept
          QG2   VAL   83 - QE    PHE   45   4.56 +/- 2.39  36.043% * 42.4150% (0.98   2.33   2.38) =  32.638%  kept
          QD2   LEU   31 - QE    PHE   45  10.03 +/- 2.86   8.983% *  0.2258% (0.61   0.02   0.02) =   0.043%
    Distance limit 4.11 A violated in 2 structures by 0.28 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 17.9:
        T QG1   VAL   75 - QD    PHE   45   3.38 +/- 2.11  84.160% * 99.9034% (1.00 10.00   3.12  17.86) =  99.982%  kept
          QD1   LEU  115 - QD    PHE   45   9.57 +/- 2.56  15.840% *  0.0966% (0.97  1.00   0.02   0.02) =   0.018%
    Distance limit 4.41 A violated in 3 structures by 0.54 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 2.13, residual support = 17.8:
        T HB    VAL   75 - QD    PHE   45   4.83 +/- 1.77  46.406% * 98.5402% (0.99 10.00   2.14  17.86) =  99.602%  kept
          HG3   LYS+  74 - QD    PHE   45   9.09 +/- 1.50  13.236% *  1.2394% (0.38  1.00   0.66   0.02) =   0.357%  kept
          QG2   ILE  103 - QD    PHE   45   9.12 +/- 1.66  13.195% *  0.0484% (0.49  1.00   0.02   0.02) =   0.014%
          QD1   LEU   67 - QD    PHE   45   9.55 +/- 1.90   8.355% *  0.0603% (0.61  1.00   0.02   0.02) =   0.011%
          QD2   LEU   40 - QD    PHE   45  10.62 +/- 0.98   6.323% *  0.0643% (0.65  1.00   0.02   0.02) =   0.009%
          QD1   ILE  119 - QD    PHE   45  10.92 +/- 2.11   7.139% *  0.0339% (0.34  1.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - QD    PHE   45  12.69 +/- 1.70   5.346% *  0.0135% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 4.57 A violated in 3 structures by 0.54 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.574, support = 3.37, residual support = 11.6:
        T QG2   THR   77 - QD    PHE   45   4.39 +/- 2.92  48.033% * 72.0914% (0.65 10.00   3.15  10.17) =  82.296%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.53 +/- 0.65  32.037% * 22.0539% (0.20 10.00   4.59  19.10) =  16.791%  kept
          QB    ALA   88 - QD    PHE   45   7.89 +/- 1.36   6.928% *  5.4536% (0.97  1.00   1.01   0.11) =   0.898%  kept
          HB3   LEU   80 - QD    PHE   45   7.84 +/- 2.17   7.296% *  0.0418% (0.38  1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - QD    PHE   45  13.67 +/- 1.74   1.304% *  0.0676% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    PHE   45  10.65 +/- 2.35   2.523% *  0.0310% (0.28  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    PHE   45  16.25 +/- 1.30   0.663% *  0.0967% (0.87  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    PHE   45  14.95 +/- 2.76   0.894% *  0.0586% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  20.21 +/- 1.04   0.323% *  0.1054% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.715, support = 0.748, residual support = 24.9:
          QG2   THR   94 - QD    PHE   45   3.42 +/- 0.71  61.256% * 67.1270% (0.80   0.75  27.34) =  82.690%  kept
          HG12  ILE   89 - QD    PHE   45   5.10 +/- 1.66  32.873% * 25.8744% (0.31   0.75  13.31) =  17.105%  kept
          HB3   LYS+ 112 - QD    PHE   45  13.65 +/- 2.56   2.257% *  1.7084% (0.76   0.02   0.02) =   0.078%
          HD2   LYS+ 112 - QD    PHE   45  14.08 +/- 2.92   1.447% *  2.2355% (1.00   0.02   0.02) =   0.065%
          HB3   LEU   71 - QD    PHE   45  14.40 +/- 1.55   0.950% *  2.2157% (0.99   0.02   0.02) =   0.042%
          HG3   LYS+ 111 - QD    PHE   45  13.62 +/- 1.76   1.217% *  0.8390% (0.38   0.02   0.02) =   0.021%
    Distance limit 4.73 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 = 2.53, residual support = 17.9:
        T QG1   VAL   75 - QE    PHE   45   3.97 +/- 2.14  80.615% * 99.9191% (0.90 10.00   2.53  17.86) =  99.981%  kept
          QD1   LEU  115 - QE    PHE   45  10.81 +/- 2.81  19.385% *  0.0809% (0.73  1.00   0.02   0.02) =   0.019%
    Distance limit 4.78 A violated in 3 structures by 0.57 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.602, support = 0.736, residual support = 13.1:
          HB    ILE   89 - QE    PHE   45   4.44 +/- 2.13  45.362% * 94.4406% (0.61   0.75  13.31) =  98.144%  kept
          HB    VAL   43 - QE    PHE   45   4.44 +/- 2.28  46.264% *  1.5584% (0.38   0.02   0.02) =   1.652%  kept
          QD    LYS+  81 - QE    PHE   45  10.40 +/- 2.53   4.366% *  1.2816% (0.31   0.02   0.02) =   0.128%  kept
          QG1   ILE   56 - QE    PHE   45  12.43 +/- 2.46   2.171% *  0.6407% (0.15   0.02   0.02) =   0.032%
          HB2   LYS+  99 - QE    PHE   45  13.77 +/- 1.92   0.941% *  1.1545% (0.28   0.02   0.02) =   0.025%
          HB3   LYS+  99 - QE    PHE   45  14.31 +/- 1.94   0.896% *  0.9244% (0.22   0.02   0.02) =   0.019%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.45, support = 1.98, residual support = 7.9:
          HB3   MET   96 - QE    PHE   45   4.99 +/- 2.19  66.256% * 93.5982% (0.45   1.99   7.96) =  99.273%  kept
          HB    VAL   18 - QE    PHE   45  13.05 +/- 4.81  12.435% *  1.4398% (0.69   0.02   0.02) =   0.287%  kept
          HB3   ARG+  54 - QE    PHE   45  17.59 +/- 1.71   5.396% *  1.9349% (0.92   0.02   0.02) =   0.167%  kept
          HB2   LEU   40 - QE    PHE   45  14.23 +/- 1.57   5.026% *  1.7507% (0.84   0.02   0.02) =   0.141%  kept
          HB2   LEU   67 - QE    PHE   45  13.03 +/- 2.11   8.374% *  0.8617% (0.41   0.02   0.02) =   0.116%  kept
          HB3   GLU-  14 - QE    PHE   45  20.70 +/- 3.68   2.513% *  0.4148% (0.20   0.02   0.02) =   0.017%
    Distance limit 4.92 A violated in 4 structures by 0.84 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.278, support = 1.83, residual support = 7.14:
        T HB2   MET   96 - QE    PHE   45   4.63 +/- 2.28  40.146% * 78.5598% (0.22 10.00   1.91   7.96) =  87.770%  kept
          HB3   ASP-  76 - QE    PHE   45   7.48 +/- 2.62  22.608% * 17.5206% (0.73  1.00   1.31   1.41) =  11.023%  kept
          QG    GLN   90 - QE    PHE   45   6.91 +/- 2.40  21.131% *  1.7649% (0.22  1.00   0.43   0.02) =   1.038%  kept
          HB2   ASP- 105 - QE    PHE   45  11.03 +/- 3.09   6.272% *  0.3403% (0.92  1.00   0.02   0.02) =   0.059%
        T HB3   PHE   72 - QE    PHE   45  10.40 +/- 1.63   3.122% *  0.6456% (0.18 10.00   0.02   0.02) =   0.056%
          HG3   MET   92 - QE    PHE   45  10.44 +/- 1.48   3.251% *  0.3558% (0.97  1.00   0.02   0.02) =   0.032%
          HB2   GLU-  29 - QE    PHE   45  16.59 +/- 2.91   0.969% *  0.3306% (0.90  1.00   0.02   0.02) =   0.009%
          HG12  ILE  119 - QE    PHE   45  14.09 +/- 2.67   1.424% *  0.1940% (0.53  1.00   0.02   0.02) =   0.008%
          HG2   GLU- 100 - QE    PHE   45  17.04 +/- 2.26   0.575% *  0.2385% (0.65  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - QE    PHE   45  18.89 +/- 3.49   0.501% *  0.0499% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.1:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  97.683% * 99.8696% (0.53  10.0 10.00   1.00  80.13) =  99.997%  kept
          HZ3   TRP   27 - QE    PHE   45  10.01 +/- 3.45   2.317% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.92 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 = 3.63, residual support = 80.1:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  97.727% * 99.6976% (0.65  10.0   3.63  80.13) =  99.997%  kept
          HE22  GLN  116 - QE    PHE   45  18.10 +/- 4.22   1.631% *  0.1337% (0.87   1.0   0.02   0.02) =   0.002%
          HD2   HIS  122 - QE    PHE   45  15.62 +/- 3.36   0.396% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - QE    PHE   45  18.64 +/- 4.19   0.245% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.798, support = 1.99, residual support = 7.93:
          HB3   MET   96 - QD    PHE   45   5.58 +/- 1.39  65.405% * 96.5015% (0.80   2.00   7.96) =  99.716%  kept
          HB2   LEU   40 - QD    PHE   45  14.37 +/- 0.93   5.032% *  1.2075% (1.00   0.02   0.02) =   0.096%
          HB    VAL   18 - QD    PHE   45  12.58 +/- 4.57  11.924% *  0.4119% (0.34   0.02   0.02) =   0.078%
          HB3   ARG+  54 - QD    PHE   45  15.80 +/- 1.48   4.575% *  0.7324% (0.61   0.02   0.02) =   0.053%
          HB2   LEU   67 - QD    PHE   45  12.45 +/- 2.21   9.484% *  0.1863% (0.15   0.02   0.02) =   0.028%
          HB3   GLU-  14 - QD    PHE   45  20.76 +/- 3.52   2.480% *  0.5877% (0.49   0.02   0.02) =   0.023%
          HG3   MET   11 - QD    PHE   45  27.31 +/- 3.81   1.100% *  0.3727% (0.31   0.02   0.02) =   0.006%
    Distance limit 5.12 A violated in 6 structures by 0.84 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.887, support = 2.08, residual support = 5.45:
          HB2   MET   96 - QD    PHE   45   5.17 +/- 1.62  42.100% * 49.1089% (0.87   2.13   7.96) =  61.662%  kept
          HB3   ASP-  76 - QD    PHE   45   7.33 +/- 1.76  26.022% * 49.0952% (0.92   2.00   1.41) =  38.103%  kept
          HB2   ASP- 105 - QD    PHE   45  11.04 +/- 2.39   7.412% *  0.3854% (0.73   0.02   0.02) =   0.085%
          HG3   MET   92 - QD    PHE   45   9.00 +/- 1.11  11.350% *  0.1811% (0.34   0.02   0.02) =   0.061%
          HB    VAL   70 - QD    PHE   45  12.01 +/- 2.05   6.248% *  0.2380% (0.45   0.02   0.02) =   0.044%
          HG2   GLU- 100 - QD    PHE   45  17.85 +/- 1.60   1.042% *  0.5123% (0.97   0.02   0.02) =   0.016%
          QG    GLN   17 - QD    PHE   45  14.94 +/- 3.24   2.631% *  0.1992% (0.38   0.02   0.02) =   0.016%
          HB2   GLU-  25 - QD    PHE   45  16.61 +/- 2.50   1.732% *  0.1476% (0.28   0.02   0.02) =   0.008%
          HB2   GLU-  29 - QD    PHE   45  17.20 +/- 2.32   1.463% *  0.1324% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.38 A violated in 1 structures by 0.17 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.07, residual support = 80.1:
      O T HB3   PHE   45 - QD    PHE   45   2.52 +/- 0.20  86.347% * 99.5701% (0.80  10.0 10.00   5.07  80.13) =  99.988%  kept
          HB3   ASP-  86 - QD    PHE   45   9.45 +/- 2.12   2.978% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 112 - QD    PHE   45  12.24 +/- 2.58   3.211% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL  107 - QD    PHE   45   8.20 +/- 1.30   4.020% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - QD    PHE   45  10.97 +/- 3.97   3.144% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - QD    PHE   45  17.97 +/- 2.44   0.300% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.36, residual support = 80.1:
      O T HB2   PHE   45 - QD    PHE   45   2.55 +/- 0.18  97.136% * 99.8423% (0.97  10.0 10.00   4.36  80.13) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  12.79 +/- 2.13   1.315% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    PHE   45  11.89 +/- 2.35   1.549% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.93, residual support = 27.1:
          HB    THR   94 - QD    PHE   45   3.04 +/- 0.64  73.300% * 83.6367% (0.69   2.96  27.34) =  99.073%  kept
          QB    SER   85 - QD    PHE   45   9.52 +/- 1.53   3.727% *  9.2297% (0.95   0.24   0.02) =   0.556%  kept
          HA    ALA   88 - QD    PHE   45   8.79 +/- 1.29   4.501% *  2.6019% (0.15   0.41   0.11) =   0.189%  kept
          HA    LYS+  65 - QD    PHE   45  11.18 +/- 3.74   8.784% *  0.7385% (0.90   0.02   0.02) =   0.105%  kept
          QB    SER   48 - QD    PHE   45   9.59 +/- 0.98   3.437% *  0.6594% (0.80   0.02   0.02) =   0.037%
          HA2   GLY   16 - QD    PHE   45  18.68 +/- 4.37   0.755% *  0.7790% (0.95   0.02   0.02) =   0.010%
          HD2   PRO   52 - QD    PHE   45  12.15 +/- 1.83   1.784% *  0.2542% (0.31   0.02   0.02) =   0.007%
          HA    ALA  120 - QD    PHE   45  17.20 +/- 2.46   0.522% *  0.7947% (0.97   0.02   0.02) =   0.007%
          HA2   GLY   51 - QD    PHE   45  14.64 +/- 1.12   0.902% *  0.4333% (0.53   0.02   0.02) =   0.006%
          HA    LYS+ 121 - QD    PHE   45  17.53 +/- 2.61   0.583% *  0.4995% (0.61   0.02   0.02) =   0.005%
          QB    SER  117 - QD    PHE   45  13.12 +/- 1.39   1.225% *  0.2290% (0.28   0.02   0.02) =   0.005%
          HA    GLN   32 - QD    PHE   45  18.17 +/- 2.39   0.480% *  0.1442% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.335, support = 4.19, residual support = 18.1:
          HA    ASP-  44 - QD    PHE   45   3.29 +/- 0.71  52.333% * 74.4855% (0.34   4.54  19.10) =  90.476%  kept
          HB    THR   77 - QD    PHE   45   5.91 +/- 3.35  30.350% * 11.9609% (0.28   0.89  10.17) =   8.426%  kept
          HA    SER   85 - QD    PHE   45   9.27 +/- 1.66   4.532% *  9.2164% (0.28   0.69   0.02) =   0.970%  kept
          HA    ASP-  86 - QD    PHE   45  10.56 +/- 1.58   2.976% *  0.9435% (0.98   0.02   0.02) =   0.065%
          HA    TRP   87 - QD    PHE   45   8.83 +/- 1.83   6.184% *  0.1485% (0.15   0.02   0.02) =   0.021%
          HA    LEU  104 - QD    PHE   45  13.89 +/- 2.01   1.081% *  0.8040% (0.84   0.02   0.02) =   0.020%
          HA    GLU-  14 - QD    PHE   45  20.96 +/- 2.93   0.371% *  0.9604% (1.00   0.02   0.02) =   0.008%
          HA    ILE  103 - QD    PHE   45  11.91 +/- 1.47   1.763% *  0.1905% (0.20   0.02   0.02) =   0.008%
          HA    ALA   12 - QD    PHE   45  25.00 +/- 3.66   0.211% *  0.9289% (0.97   0.02   0.02) =   0.005%
          HA    MET   11 - QD    PHE   45  26.92 +/- 4.12   0.198% *  0.3613% (0.38   0.02   0.02) =   0.002%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.07, residual support = 80.1:
          HA    PHE   45 - QD    PHE   45   2.81 +/- 0.57  86.978% * 96.8607% (0.25   5.07  80.13) =  99.916%  kept
          HA    MET   92 - QD    PHE   45   6.90 +/- 1.56  10.766% *  0.3818% (0.25   0.02   0.02) =   0.049%
          HA    VAL   41 - QD    PHE   45  11.19 +/- 0.81   1.624% *  1.2262% (0.80   0.02   0.02) =   0.024%
          HA    HIS  122 - QD    PHE   45  17.61 +/- 2.96   0.633% *  1.5313% (1.00   0.02   0.02) =   0.011%
    Distance limit 5.13 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 = 5.47, residual support = 68.4:
          HN    PHE   45 - QD    PHE   45   2.30 +/- 0.63  74.798% * 56.7365% (0.45   5.75  80.13) =  80.818%  kept
          HN    ASP-  44 - QD    PHE   45   4.24 +/- 0.69  23.553% * 42.7466% (0.45   4.33  19.10) =  19.174%  kept
          HN    ALA  110 - QD    PHE   45  10.65 +/- 1.77   1.155% *  0.3026% (0.69   0.02   0.02) =   0.007%
          HN    GLU-  25 - QD    PHE   45  14.46 +/- 2.75   0.494% *  0.2144% (0.49   0.02   0.02) =   0.002%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.1:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.437% * 99.7606% (0.98  10.0   1.00  80.13) =  99.997%  kept
          QD    PHE   72 - HZ    PHE   45  10.14 +/- 1.90   1.407% *  0.1766% (0.87   1.0   0.02   0.02) =   0.003%
          HD22  ASN   69 - HZ    PHE   45  19.60 +/- 1.97   0.155% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.654, support = 4.32, residual support = 48.4:
          HN    TRP   49 - HD1   TRP   49   2.74 +/- 0.87  69.005% * 33.6841% (0.38   4.88  85.26) =  53.871%  kept
          HN    CYS   50 - HD1   TRP   49   4.22 +/- 1.30  30.110% * 66.0930% (0.98   3.67   5.41) =  46.124%  kept
          HN    VAL   83 - HD1   TRP   49  16.78 +/- 3.99   0.885% *  0.2229% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.32, residual support = 85.3:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.32  85.26) = 100.000%  kept
    Distance limit 3.86 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 = 85.3:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  97.125% * 99.8040% (0.41  10.0   1.00  85.26) =  99.998%  kept
          QD    PHE   97 - HZ2   TRP   49  17.02 +/- 3.62   2.480% *  0.0749% (0.15   1.0   0.02   0.02) =   0.002%
          HE21  GLN   30 - HZ2   TRP   49  21.67 +/- 4.30   0.395% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 85.3:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.26) = 100.000%  kept
    Distance limit 4.79 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 = 85.3:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.022% * 99.8708% (1.00  10.0   1.00  85.26) =  99.999%  kept
          HN    LYS+ 121 - HH2   TRP   49  20.62 +/- 4.93   0.978% *  0.1292% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.901, support = 1.47, residual support = 8.7:
          QD1   ILE   89 - HZ    PHE   45   4.41 +/- 2.25  47.070% * 54.7351% (0.84   1.69  13.31) =  57.836%  kept
          QG2   VAL   83 - HZ    PHE   45   5.16 +/- 2.97  41.918% * 44.6449% (0.99   1.16   2.38) =  42.010%  kept
          QD2   LEU   31 - HZ    PHE   45  11.30 +/- 3.54  11.012% *  0.6200% (0.80   0.02   0.02) =   0.153%  kept
    Distance limit 4.98 A violated in 2 structures by 0.31 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.76, residual support = 85.2:
      O T HB2   TRP   49 - HD1   TRP   49   3.76 +/- 0.26  82.632% * 99.5547% (0.65  10.0 10.00   4.76  85.26) =  99.986%  kept
          HD3   PRO   58 - HD1   TRP   49  15.99 +/- 3.66   8.002% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   75 - HD1   TRP   49  14.33 +/- 2.21   2.840% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   84 - HD1   TRP   49  14.76 +/- 3.85   2.808% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - HD1   TRP   49  19.51 +/- 4.06   1.246% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR  118 - HD1   TRP   49  20.72 +/- 3.73   1.241% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD1   TRP   49  17.13 +/- 3.15   1.231% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.80 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 = 4.77, residual support = 85.3:
      O T HB3   TRP   49 - HD1   TRP   49   2.84 +/- 0.15  99.014% * 99.9191% (0.90  10.0 10.00   4.77  85.26) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  15.32 +/- 2.73   0.986% *  0.0809% (0.73   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 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.88, residual support = 16.1:
          QB    ALA   47 - HD1   TRP   49   2.87 +/- 0.70  91.525% * 99.0525% (0.84   3.88  16.12) =  99.969%  kept
          QG1   VAL   42 - HD1   TRP   49  14.50 +/- 2.43   3.442% *  0.4440% (0.73   0.02   0.02) =   0.017%
          QB    ALA   64 - HD1   TRP   49  14.20 +/- 2.39   2.432% *  0.2741% (0.45   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - HD1   TRP   49  16.26 +/- 3.79   2.601% *  0.2295% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.864, support = 0.498, residual support = 0.953:
        T HG    LEU  123 - HZ2   TRP   49  21.09 +/- 6.18  11.774% * 81.2828% (0.87 10.00   0.38   0.02) =  67.030%  kept
          HB3   PRO   52 - HZ2   TRP   49   8.88 +/- 4.16  28.829% * 15.8650% (0.87  1.00   0.75   2.93) =  32.034%  kept
          QB    LYS+  66 - HZ2   TRP   49  14.82 +/- 6.52  19.671% *  0.1356% (0.28  1.00   0.02   0.02) =   0.187%  kept
          HG3   PRO   68 - HZ2   TRP   49  20.71 +/- 7.73   6.600% *  0.3727% (0.76  1.00   0.02   0.02) =   0.172%  kept
          HB3   ASP- 105 - HZ2   TRP   49  20.99 +/- 4.00   5.246% *  0.3155% (0.65  1.00   0.02   0.02) =   0.116%  kept
          HB    VAL   41 - HZ2   TRP   49  20.83 +/- 4.58   7.016% *  0.2187% (0.45  1.00   0.02   0.02) =   0.107%  kept
          HG2   ARG+  54 - HZ2   TRP   49  12.51 +/- 2.18   4.529% *  0.3350% (0.69  1.00   0.02   0.02) =   0.106%  kept
          HB3   GLN   90 - HZ2   TRP   49  14.23 +/- 4.38   6.670% *  0.2187% (0.45  1.00   0.02   0.02) =   0.102%  kept
          QB    LYS+  81 - HZ2   TRP   49  14.71 +/- 3.63   3.538% *  0.1830% (0.38  1.00   0.02   0.02) =   0.045%
          QB    LYS+ 106 - HZ2   TRP   49  16.19 +/- 2.57   2.979% *  0.1664% (0.34  1.00   0.02   0.02) =   0.035%
          HG12  ILE  103 - HZ2   TRP   49  21.69 +/- 3.33   1.174% *  0.2958% (0.61  1.00   0.02   0.02) =   0.024%
          HB    ILE  103 - HZ2   TRP   49  23.09 +/- 3.29   0.882% *  0.3542% (0.73  1.00   0.02   0.02) =   0.022%
          QB    LYS+  33 - HZ2   TRP   49  24.29 +/- 3.85   1.091% *  0.2566% (0.53  1.00   0.02   0.02) =   0.020%
    Distance limit 4.77 A violated in 1 structures by 0.85 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.02, residual support = 16.1:
          QB    ALA   47 - HZ2   TRP   49   4.03 +/- 1.18  65.763% * 97.9967% (0.69   2.03  16.12) =  99.678%  kept
          QG1   VAL   42 - HZ2   TRP   49  13.37 +/- 3.17  15.352% *  0.7976% (0.57   0.02   0.02) =   0.189%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  15.08 +/- 4.82  15.029% *  0.3513% (0.25   0.02   0.02) =   0.082%
          QB    ALA   64 - HZ2   TRP   49  13.46 +/- 3.33   3.856% *  0.8544% (0.61   0.02   0.02) =   0.051%
    Distance limit 4.70 A violated in 1 structures by 0.13 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.365, support = 0.701, residual support = 2.73:
          HG2   PRO   52 - HH2   TRP   49   7.26 +/- 4.37  35.183% * 73.0242% (0.34   0.75   2.93) =  93.233%  kept
          HG2   MET   92 - HH2   TRP   49  11.76 +/- 5.32  12.261% *  4.9520% (0.87   0.02   0.02) =   2.203%  kept
          QG    GLU- 114 - HH2   TRP   49  14.80 +/- 4.42   8.777% *  4.5712% (0.80   0.02   0.02) =   1.456%  kept
          HB2   GLU-  79 - HH2   TRP   49  16.36 +/- 3.36   7.386% *  4.1454% (0.73   0.02   0.02) =   1.111%  kept
          HB2   ASP-  44 - HH2   TRP   49  13.71 +/- 2.66  15.518% *  0.9998% (0.18   0.02   0.02) =   0.563%  kept
          QB    MET   11 - HH2   TRP   49  29.57 +/- 8.07   3.745% *  3.9214% (0.69   0.02   0.02) =   0.533%  kept
          QG    GLU-  15 - HH2   TRP   49  23.56 +/- 6.28   6.067% *  1.4235% (0.25   0.02   0.02) =   0.313%  kept
          HG3   GLU-  36 - HH2   TRP   49  31.94 +/- 5.79   1.488% *  4.9520% (0.87   0.02   0.02) =   0.267%  kept
          QG    GLU-  14 - HH2   TRP   49  24.57 +/- 7.07   8.067% *  0.8808% (0.15   0.02   0.02) =   0.258%  kept
          HG3   GLU-  25 - HH2   TRP   49  26.65 +/- 4.14   1.507% *  1.1298% (0.20   0.02   0.02) =   0.062%
    Distance limit 5.08 A violated in 8 structures by 1.63 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.864, support = 1.84, residual support = 2.64:
          HB3   PRO   52 - HH2   TRP   49   8.03 +/- 4.93  33.764% * 75.8943% (0.87   2.00   2.93) =  89.861%  kept
          HG    LEU  123 - HH2   TRP   49  20.67 +/- 6.64  14.136% * 18.9891% (0.87   0.50   0.02) =   9.414%  kept
          HG3   PRO   68 - HH2   TRP   49  20.43 +/- 8.63  10.095% *  0.6686% (0.76   0.02   0.02) =   0.237%  kept
          QB    LYS+  66 - HH2   TRP   49  14.50 +/- 7.26  22.785% *  0.2433% (0.28   0.02   0.02) =   0.194%  kept
          HB    VAL   41 - HH2   TRP   49  21.43 +/- 5.35  10.104% *  0.3923% (0.45   0.02   0.02) =   0.139%  kept
          HG2   ARG+  54 - HH2   TRP   49  11.66 +/- 2.73   2.880% *  0.6010% (0.69   0.02   0.02) =   0.061%
          HB3   ASP- 105 - HH2   TRP   49  21.73 +/- 4.00   1.308% *  0.5660% (0.65   0.02   0.02) =   0.026%
          HB3   GLN   90 - HH2   TRP   49  16.19 +/- 4.16   1.527% *  0.3923% (0.45   0.02   0.02) =   0.021%
          QB    LYS+  33 - HH2   TRP   49  24.60 +/- 4.62   0.810% *  0.4603% (0.53   0.02   0.02) =   0.013%
          QB    LYS+  81 - HH2   TRP   49  16.29 +/- 3.35   0.992% *  0.3284% (0.38   0.02   0.02) =   0.011%
          QB    LYS+ 106 - HH2   TRP   49  17.17 +/- 2.66   0.907% *  0.2984% (0.34   0.02   0.02) =   0.009%
          HG12  ILE  103 - HH2   TRP   49  22.77 +/- 3.46   0.395% *  0.5307% (0.61   0.02   0.02) =   0.007%
          HB    ILE  103 - HH2   TRP   49  24.19 +/- 3.35   0.296% *  0.6353% (0.73   0.02   0.02) =   0.007%
    Distance limit 4.83 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 = 2.36, residual support = 20.7:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.02  89.215% * 72.3396% (0.25  10.0   2.36  21.00) =  98.255%  kept
          HD2   ARG+  54 - QD    PHE   55   6.55 +/- 1.05   4.227% * 25.3354% (0.61   1.0   2.88   4.32) =   1.630%  kept
          HB3   CYS   53 - QD    PHE   55   7.44 +/- 1.04   3.393% *  2.1365% (0.53   1.0   0.28   0.02) =   0.110%  kept
          HD3   PRO   93 - QD    PHE   55  11.58 +/- 4.46   2.992% *  0.0990% (0.34   1.0   0.02   0.02) =   0.005%
          HD3   PRO   68 - QD    PHE   55  18.57 +/- 2.76   0.174% *  0.0895% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.846, support = 2.08, residual support = 19.6:
          HA    PHE   55 - QD    PHE   55   2.95 +/- 0.45  81.270% * 64.2922% (0.84   2.17  21.00) =  93.217%  kept
          HA    ALA  110 - QD    PHE   55  11.35 +/- 5.47  10.971% * 34.4436% (1.00   0.97   0.02) =   6.742%  kept
          HA    GLN   90 - QD    PHE   55  17.45 +/- 3.99   1.683% *  0.6861% (0.97   0.02   0.02) =   0.021%
          HA    ALA   91 - QD    PHE   55  15.56 +/- 4.35   3.427% *  0.1583% (0.22   0.02   0.02) =   0.010%
          HA    VAL  107 - QD    PHE   55  14.16 +/- 4.14   2.073% *  0.2425% (0.34   0.02   0.02) =   0.009%
          HA    VAL   42 - QD    PHE   55  17.95 +/- 2.44   0.576% *  0.1773% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.62 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 = 0.498, support = 1.69, residual support = 3.41:
          HB3   LEU  115 - QD    PHE   55   7.96 +/- 2.95  24.104% * 49.0574% (0.31  1.00   2.44   5.13) =  66.357%  kept
          QB    ALA  110 - QD    PHE   55   9.34 +/- 4.61  23.668% * 10.6358% (0.80  1.00   0.20   0.02) =  14.126%  kept
          QB    ALA   61 - QD    PHE   55  10.10 +/- 1.03  13.230% * 18.5505% (0.97  1.00   0.30   0.02) =  13.772%  kept
        T QG    LYS+  66 - QD    PHE   55  14.24 +/- 1.88   6.495% * 12.3050% (0.95 10.00   0.02   0.02) =   4.485%  kept
        T HG    LEU   67 - QD    PHE   55  17.99 +/- 2.18   2.302% *  2.8960% (0.22 10.00   0.02   0.02) =   0.374%  kept
          HD3   LYS+ 121 - QD    PHE   55  14.51 +/- 3.04  12.482% *  0.2574% (0.20  1.00   0.02   0.02) =   0.180%  kept
          HB3   LEU   67 - QD    PHE   55  18.13 +/- 2.02   1.955% *  1.3008% (1.00  1.00   0.02   0.02) =   0.143%  kept
          HG    LEU   73 - QD    PHE   55  19.41 +/- 3.45   2.392% *  1.0416% (0.80  1.00   0.02   0.02) =   0.140%  kept
          HG    LEU   80 - QD    PHE   55  20.28 +/- 3.87   2.177% *  1.0865% (0.84  1.00   0.02   0.02) =   0.133%  kept
          HG12  ILE   19 - QD    PHE   55  21.66 +/- 3.07   1.709% *  0.9446% (0.73  1.00   0.02   0.02) =   0.091%
          HG    LEU   40 - QD    PHE   55  19.48 +/- 2.86   3.325% *  0.4015% (0.31  1.00   0.02   0.02) =   0.075%
          HB2   LEU   80 - QD    PHE   55  20.10 +/- 3.25   1.977% *  0.4015% (0.31  1.00   0.02   0.02) =   0.045%
          HB3   LYS+  74 - QD    PHE   55  17.80 +/- 3.45   3.465% *  0.2278% (0.18  1.00   0.02   0.02) =   0.044%
          HG2   LYS+ 102 - QD    PHE   55  26.95 +/- 3.15   0.718% *  0.8935% (0.69  1.00   0.02   0.02) =   0.036%
    Distance limit 4.51 A violated in 11 structures by 1.58 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 1.94, residual support = 5.05:
          QD2   LEU  115 - QD    PHE   55   5.87 +/- 2.03  54.683% * 87.9466% (0.87  1.00   1.96   5.13) =  98.534%  kept
        T QD2   LEU   80 - QD    PHE   55  17.42 +/- 2.93   4.733% *  8.6206% (0.84 10.00   0.02   0.02) =   0.836%  kept
          QD1   LEU   63 - QD    PHE   55  10.91 +/- 1.42  15.148% *  1.0298% (1.00  1.00   0.02   0.02) =   0.320%  kept
          QD2   LEU   63 - QD    PHE   55  11.73 +/- 1.32  13.103% *  0.5430% (0.53  1.00   0.02   0.02) =   0.146%  kept
          QD1   LEU   73 - QD    PHE   55  16.56 +/- 2.75   4.525% *  1.0298% (1.00  1.00   0.02   0.02) =   0.095%
          QD1   LEU  104 - QD    PHE   55  17.85 +/- 3.08   4.242% *  0.6260% (0.61  1.00   0.02   0.02) =   0.054%
          QG1   VAL   83 - QD    PHE   55  17.61 +/- 2.42   3.566% *  0.2042% (0.20  1.00   0.02   0.02) =   0.015%
    Distance limit 4.71 A violated in 6 structures by 1.24 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.922, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   6.36 +/- 4.13  75.007% * 72.5341% (0.99   0.02   0.02) =  88.796%  kept
          HB3   TRP   49 - QE    PHE   95  13.66 +/- 2.67  24.993% * 27.4659% (0.38   0.02   0.02) =  11.204%  kept
    Distance limit 4.64 A violated in 9 structures by 2.00 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.491, support = 1.25, residual support = 18.7:
          HB    VAL  107 - QE    PHE   95   4.43 +/- 0.78  34.987% * 24.9155% (0.28  1.00   2.86  46.61) =  39.590%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.32 +/- 2.68  18.117% * 41.9776% (0.69 10.00   0.19   0.02) =  34.539%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.32 +/- 3.93  25.778% * 17.5365% (0.57 10.00   0.10   0.02) =  20.531%  kept
          HB3   PHE   45 - QE    PHE   95   6.66 +/- 1.25  15.717% *  4.9274% (0.69  1.00   0.23   1.89) =   3.517%  kept
          HG3   MET   96 - QE    PHE   95   9.71 +/- 1.15   4.180% *  9.4232% (0.20  1.00   1.52  11.96) =   1.789%  kept
          HB3   ASP-  86 - QE    PHE   95  15.16 +/- 1.35   0.852% *  0.5936% (0.95  1.00   0.02   0.02) =   0.023%
          HG2   GLU-  29 - QE    PHE   95  20.77 +/- 2.35   0.369% *  0.6261% (1.00  1.00   0.02   0.02) =   0.010%
    Distance limit 5.21 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 = 0.739, support = 0.389, residual support = 0.266:
          QG1   ILE   56 - QE    PHE   95   6.27 +/- 3.98  29.103% * 20.4802% (0.53   0.47   0.37) =  41.336%  kept
          HB2   LEU   73 - QE    PHE   95  11.31 +/- 3.63  14.985% * 26.5662% (0.92   0.35   0.39) =  27.610%  kept
          QD    LYS+ 106 - QE    PHE   95   9.09 +/- 1.28   7.520% * 34.2522% (1.00   0.41   0.02) =  17.863%  kept
          HD2   LYS+ 111 - QE    PHE   95  10.13 +/- 2.54  11.915% * 13.3517% (0.69   0.23   0.02) =  11.033%  kept
          HG3   PRO   93 - QE    PHE   95   6.28 +/- 2.38  20.548% *  0.6234% (0.38   0.02   0.02) =   0.888%  kept
          HB3   MET   92 - QE    PHE   95   8.14 +/- 1.72   8.231% *  1.3300% (0.80   0.02   0.02) =   0.759%  kept
          QD    LYS+  99 - QE    PHE   95  13.91 +/- 1.68   2.520% *  1.6609% (1.00   0.02   0.02) =   0.290%  kept
          HB2   LEU  123 - QE    PHE   95  13.56 +/- 2.84   2.051% *  0.6828% (0.41   0.02   0.02) =   0.097%
          HB3   LYS+  99 - QE    PHE   95  14.68 +/- 1.60   1.992% *  0.6828% (0.41   0.02   0.02) =   0.094%
          QD    LYS+ 102 - QE    PHE   95  16.70 +/- 1.43   1.136% *  0.3698% (0.22   0.02   0.02) =   0.029%
    Distance limit 5.04 A violated in 0 structures by 0.13 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.656, support = 2.57, residual support = 42.8:
          QG2   VAL  107 - QE    PHE   95   3.33 +/- 0.55  60.663% * 60.4477% (0.69  1.00   2.71  46.61) =  89.780%  kept
          QG2   THR   94 - QE    PHE   95   5.89 +/- 0.53  13.208% * 19.9634% (0.34  1.00   1.80  14.56) =   6.456%  kept
          HB3   LYS+ 112 - QE    PHE   95   8.11 +/- 2.57  16.116% *  7.9339% (0.38  1.00   0.65   0.02) =   3.131%  kept
          HG13  ILE  103 - QE    PHE   95  12.36 +/- 1.40   2.001% * 10.3607% (1.00  1.00   0.32   0.02) =   0.507%  kept
        T QB    ALA   20 - QE    PHE   95  12.32 +/- 2.55   3.985% *  1.0029% (0.15 10.00   0.02   0.02) =   0.098%
          HG2   LYS+ 121 - QE    PHE   95  13.26 +/- 3.46   4.027% *  0.2914% (0.45  1.00   0.02   0.02) =   0.029%
    Distance limit 5.10 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 = 0.882, support = 2.69, residual support = 5.56:
          QD2   LEU  115 - QE    PHE   95   4.72 +/- 3.00  37.565% * 48.5309% (0.87  1.00   3.34   7.63) =  70.123%  kept
          QD1   LEU   63 - QE    PHE   95   6.76 +/- 2.21  17.799% * 19.0746% (1.00  1.00   1.14   0.93) =  13.059%  kept
          QD1   LEU   73 - QE    PHE   95  10.02 +/- 2.60  13.378% * 22.2717% (1.00  1.00   1.33   0.39) =  11.460%  kept
          QD2   LEU   63 - QE    PHE   95   7.03 +/- 2.46  18.399% *  7.0572% (0.53  1.00   0.80   0.93) =   4.994%  kept
        T QD2   LEU   80 - QE    PHE   95  12.44 +/- 2.25   2.766% *  2.7964% (0.84 10.00   0.02   0.02) =   0.298%  kept
          QD1   LEU  104 - QE    PHE   95  10.85 +/- 1.75   7.556% *  0.2031% (0.61  1.00   0.02   0.02) =   0.059%
          QG1   VAL   83 - QE    PHE   95  11.85 +/- 1.76   2.537% *  0.0663% (0.20  1.00   0.02   0.02) =   0.006%
    Distance limit 4.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.345, support = 1.47, residual support = 7.4:
        T QD1   LEU  115 - QE    PHE   95   4.27 +/- 3.25  57.483% * 92.1439% (0.34 10.00   1.50   7.63) =  96.903%  kept
          QB    ALA   64 - QE    PHE   95   7.28 +/- 1.42  21.896% *  5.7143% (0.57  1.00   0.56   0.24) =   2.289%  kept
          QG1   VAL   75 - QE    PHE   95   6.58 +/- 1.70  20.621% *  2.1418% (0.20  1.00   0.60   0.02) =   0.808%  kept
    Distance limit 4.69 A violated in 1 structures by 0.24 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 1.12, residual support = 72.0:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  86.211% * 95.2362% (0.84  10.0   1.11  72.39) =  99.308%  kept
          HN    LEU   63 - QD    PHE   60   4.48 +/- 0.53  12.894% *  4.4290% (0.15   1.0   2.78  10.07) =   0.691%  kept
          HD21  ASN   28 - QD    PHE   60  16.16 +/- 4.06   0.562% *  0.1498% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   60  16.15 +/- 3.57   0.333% *  0.1850% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.75, residual support = 72.4:
      O T HB3   PHE   60 - QD    PHE   60   2.49 +/- 0.17  91.019% * 99.7227% (0.73  10.0 10.00   3.75  72.39) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   60  14.77 +/- 2.84   1.256% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - QD    PHE   60   8.95 +/- 1.58   3.131% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    PHE   60  12.68 +/- 3.95   3.226% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    PHE   60  19.70 +/- 2.78   0.241% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  13.18 +/- 2.29   0.804% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  17.72 +/- 2.90   0.323% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.878, support = 1.38, residual support = 2.62:
          QD1   ILE   56 - QD    PHE   60   5.92 +/- 1.99  45.888% * 38.3886% (0.99  1.00   1.31   4.15) =  55.194%  kept
          QD2   LEU   73 - QD    PHE   60   8.37 +/- 2.64  30.077% * 40.6167% (0.84  1.00   1.65   0.85) =  38.276%  kept
        T QG1   VAL   41 - QD    PHE   60  11.34 +/- 2.14  10.045% * 20.1853% (0.18 10.00   0.39   0.02) =   6.353%  kept
          HG3   LYS+ 121 - QD    PHE   60  13.92 +/- 2.35   7.415% *  0.4047% (0.69  1.00   0.02   0.02) =   0.094%
          HG    LEU   31 - QD    PHE   60  14.34 +/- 3.14   6.574% *  0.4047% (0.69  1.00   0.02   0.02) =   0.083%
    Distance limit 4.24 A violated in 9 structures by 1.34 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.87, residual support = 2.81:
          QB    ALA   64 - QD    PHE   60   4.75 +/- 1.39 100.000% *100.0000% (0.95   1.87   2.81) = 100.000%  kept
    Distance limit 4.16 A violated in 5 structures by 0.91 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.06, residual support = 62.2:
          HN    PHE   97 - QD    PHE   97   2.75 +/- 0.75  95.365% * 99.3223% (0.97   4.06  62.23) =  99.984%  kept
          HN    LEU  115 - QD    PHE   97  11.36 +/- 2.32   2.702% *  0.4888% (0.97   0.02   0.02) =   0.014%
          HN    ASP- 113 - QD    PHE   97  13.70 +/- 2.42   1.573% *  0.1002% (0.20   0.02   0.02) =   0.002%
          HN    ALA   12 - QD    PHE   97  24.84 +/- 4.48   0.361% *  0.0887% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.678, support = 1.08, residual support = 1.41:
          HA    THR  118 - QD    PHE   97   9.31 +/- 6.05  27.111% * 43.0034% (0.61   1.09   1.86) =  52.238%  kept
          HA    ILE  119 - QD    PHE   97  10.30 +/- 6.03  19.167% * 54.0320% (0.76   1.09   0.94) =  46.404%  kept
          HA    VAL   75 - QD    PHE   97  11.69 +/- 1.59  12.154% *  0.6822% (0.53   0.02   0.02) =   0.371%  kept
          HA2   GLY  109 - QD    PHE   97  11.77 +/- 1.30  16.203% *  0.4002% (0.31   0.02   0.02) =   0.291%  kept
          HB2   TRP   49 - QD    PHE   97  19.82 +/- 3.22   7.102% *  0.8906% (0.69   0.02   0.02) =   0.283%  kept
          HA    ALA   84 - QD    PHE   97  13.74 +/- 2.40   9.729% *  0.6311% (0.49   0.02   0.02) =   0.275%  kept
          HD3   PRO   58 - QD    PHE   97  14.18 +/- 4.06   8.533% *  0.3605% (0.28   0.02   0.02) =   0.138%  kept
    Distance limit 4.52 A violated in 9 structures by 1.70 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.898, support = 2.43, residual support = 61.2:
      O T HB2   PHE   97 - QD    PHE   97   2.46 +/- 0.15  78.788% * 89.8985% (0.90  10.0 10.00   2.44  62.23) =  97.924%  kept
          QE    LYS+ 106 - QD    PHE   97   6.10 +/- 1.35  15.120% *  9.9144% (0.95   1.0  1.00   2.09  11.78) =   2.072%  kept
          HB3   PHE   60 - QD    PHE   97  11.95 +/- 3.02   1.277% *  0.0803% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - QD    PHE   97   7.12 +/- 1.14   4.198% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    PHE   97  13.86 +/- 1.97   0.616% *  0.0870% (0.87   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.90 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   2.47 +/- 0.17  86.126% * 99.7112% (1.00  10.0 10.00   2.74  62.23) =  99.990%  kept
          HB2   PRO   58 - QD    PHE   97  13.21 +/- 4.86   8.076% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.007%
          QG    GLU-  79 - QD    PHE   97  15.06 +/- 3.17   3.946% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - QD    PHE   97  11.35 +/- 0.84   0.989% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  12.80 +/- 2.92   0.862% *  0.0962% (0.97   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.782, support = 1.71, residual support = 4.84:
          QG1   VAL  107 - QD    PHE   97   5.14 +/- 0.94  57.675% * 66.8857% (0.84   1.74   5.43) =  87.120%  kept
          HG13  ILE  119 - QD    PHE   97  10.76 +/- 4.81  17.866% * 30.8726% (0.41   1.63   0.94) =  12.457%  kept
          QG1   VAL   24 - QD    PHE   97  14.48 +/- 3.02   9.455% *  0.9231% (1.00   0.02   0.02) =   0.197%  kept
          HD3   LYS+ 112 - QD    PHE   97  14.13 +/- 2.35   7.760% *  0.9048% (0.98   0.02   0.02) =   0.159%  kept
          HB3   LEU   31 - QD    PHE   97  12.68 +/- 2.55   7.244% *  0.4138% (0.45   0.02   0.02) =   0.068%
    Distance limit 4.26 A violated in 4 structures by 0.87 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.714, support = 2.88, residual support = 12.9:
          HB2   LEU  104 - QD    PHE   97   4.17 +/- 0.74  54.186% * 55.6795% (0.69   3.29  16.00) =  79.800%  kept
          QD1   ILE  119 - QD    PHE   97   9.55 +/- 3.76  15.253% * 35.0613% (0.95   1.51   0.94) =  14.145%  kept
          QG2   VAL  108 - QD    PHE   97   6.62 +/- 1.42  25.377% *  8.9606% (0.53   0.69   0.02) =   6.014%  kept
          HB    VAL   75 - QD    PHE   97  10.38 +/- 1.47   5.184% *  0.2987% (0.61   0.02   0.02) =   0.041%
    Distance limit 4.42 A violated in 0 structures by 0.12 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.201, support = 1.44, residual support = 1.83:
          QG2   THR  118 - QD    PHE   97   6.93 +/- 5.23  55.284% * 97.6996% (0.20   1.46   1.86) =  98.131%  kept
          QG2   VAL   70 - QD    PHE   97   6.84 +/- 2.93  44.716% *  2.3004% (0.34   0.02   0.02) =   1.869%  kept
    Distance limit 4.58 A violated in 4 structures by 0.81 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.943, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.64 +/- 1.56  70.142% * 85.0969% (1.00   0.02   0.02) =  93.062%  kept
          QB    ALA   47 - QD    PHE   97  13.02 +/- 2.68  29.858% * 14.9031% (0.18   0.02   0.02) =   6.938%  kept
    Distance limit 4.93 A violated in 18 structures by 3.22 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.89, residual support = 29.7:
          HN    LEU  115 - QD    PHE   59   6.38 +/- 0.56  59.881% * 99.0517% (0.97   2.90  29.78) =  99.761%  kept
          HN    PHE   97 - QD    PHE   59  12.00 +/- 3.63  15.814% *  0.6840% (0.97   0.02   0.02) =   0.182%  kept
          HN    ASP- 113 - QD    PHE   59   8.87 +/- 0.73  22.713% *  0.1403% (0.20   0.02   0.02) =   0.054%
          HN    ALA   12 - QD    PHE   59  26.48 +/- 3.85   1.591% *  0.1241% (0.18   0.02   0.02) =   0.003%
    Distance limit 5.14 A violated in 5 structures by 1.17 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.82, residual support = 54.5:
          HA    PHE   59 - QD    PHE   59   2.66 +/- 0.65  67.144% * 78.0702% (0.61   3.03  58.01) =  90.788%  kept
          HA    ILE   56 - QD    PHE   59   4.80 +/- 1.14  27.361% * 19.3095% (0.61   0.75  20.34) =   9.151%  kept
          HA    ASP- 113 - QD    PHE   59   8.56 +/- 0.82   2.789% *  0.8471% (1.00   0.02   0.02) =   0.041%
          HA    LEU  123 - QD    PHE   59   9.69 +/- 0.75   1.820% *  0.4132% (0.49   0.02   0.02) =   0.013%
          HA    LYS+  99 - QD    PHE   59  16.71 +/- 3.32   0.400% *  0.6798% (0.80   0.02   0.02) =   0.005%
          HA    ASN   35 - QD    PHE   59  20.93 +/- 2.70   0.190% *  0.5492% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  17.88 +/- 2.55   0.296% *  0.1310% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.61 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 = 0.989, support = 2.37, residual support = 22.2:
        T HA    ILE  119 - QD    PHE   59   3.99 +/- 0.35  72.689% * 51.2610% (1.00 10.00   2.34  24.31) =  82.712%  kept
        T HA    THR  118 - QD    PHE   59   6.85 +/- 0.49  16.018% * 48.5987% (0.95 10.00   2.49  12.36) =  17.280%  kept
          HA2   GLY  109 - QD    PHE   59  11.67 +/- 2.10   4.003% *  0.0353% (0.69  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD    PHE   59  14.32 +/- 2.47   2.606% *  0.0504% (0.98  1.00   0.02   0.02) =   0.003%
          HA    ALA   84 - QD    PHE   59  16.28 +/- 1.80   1.197% *  0.0446% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  12.33 +/- 2.03   3.488% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 2.73, residual support = 57.9:
      O   HB2   PHE   59 - QD    PHE   59   2.52 +/- 0.17  74.891% * 98.4552% (0.97  10.0   2.73  58.01) =  99.887%  kept
          QB    PHE   55 - QD    PHE   59   6.89 +/- 1.24   5.567% *  1.3247% (0.76   1.0   0.34   0.02) =   0.100%
          HB3   CYS   53 - QD    PHE   59   7.74 +/- 2.16  15.337% *  0.0457% (0.45   1.0   0.02   0.02) =   0.010%
          HD3   PRO   93 - QD    PHE   59  10.81 +/- 2.82   1.930% *  0.0660% (0.65   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - QD    PHE   59  12.80 +/- 2.30   1.014% *  0.0701% (0.69   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.01 +/- 1.48   1.261% *  0.0383% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.44 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 = 3.17, residual support = 58.0:
      O   HB3   PHE   59 - QD    PHE   59   2.50 +/- 0.17  99.243% * 99.9680% (0.97  10.0   3.17  58.01) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  14.61 +/- 2.62   0.757% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.917, support = 2.77, residual support = 31.5:
          HB2   PRO   58 - QD    PHE   59   4.73 +/- 1.47  57.889% * 67.8654% (0.99   2.96  40.08) =  78.426%  kept
          HB2   GLN  116 - QD    PHE   59   6.58 +/- 1.46  34.321% * 31.4173% (0.65   2.10   0.35) =  21.525%  kept
          HB3   PHE   97 - QD    PHE   59  11.84 +/- 4.03   5.904% *  0.3707% (0.80   0.02   0.02) =   0.044%
          HB2   GLU- 100 - QD    PHE   59  20.91 +/- 3.16   0.611% *  0.2436% (0.53   0.02   0.02) =   0.003%
          HG3   GLU-  25 - QD    PHE   59  23.08 +/- 4.10   1.275% *  0.1031% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.3:
        T QG1   ILE   56 - QD    PHE   59   3.29 +/- 0.68  89.252% * 99.7153% (0.97 10.00   1.97  20.34) =  99.994%  kept
          HB3   LYS+  99 - QD    PHE   59  16.64 +/- 3.86   1.484% *  0.1047% (1.00  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD    PHE   59  12.47 +/- 3.75   3.917% *  0.0358% (0.34  1.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QD    PHE   59  14.94 +/- 2.19   1.486% *  0.0840% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  15.30 +/- 3.11   1.665% *  0.0394% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD    PHE   59  14.00 +/- 2.80   2.195% *  0.0208% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.79 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 = 0.527, support = 2.38, residual support = 27.9:
          HB3   LEU  115 - QD    PHE   59   4.31 +/- 1.12  29.274% * 61.5088% (0.65   2.35  29.78) =  71.423%  kept
          HG    LEU  115 - QD    PHE   59   4.22 +/- 0.92  30.061% * 18.7079% (0.15   2.99  29.78) =  22.307%  kept
          QB    ALA   61 - QD    PHE   59   5.54 +/- 0.97  13.970% *  6.5306% (0.69   0.23   0.75) =   3.619%  kept
          QB    ALA  120 - QD    PHE   59   7.22 +/- 0.71   6.666% *  8.1900% (0.15   1.31   0.02) =   2.165%  kept
          QG    LYS+  66 - QD    PHE   59   9.55 +/- 2.28   5.607% *  0.7822% (0.97   0.02   0.02) =   0.174%  kept
          HG    LEU   73 - QD    PHE   59  13.94 +/- 3.03   3.263% *  0.8087% (1.00   0.02   0.02) =   0.105%  kept
          QB    ALA  110 - QD    PHE   59   8.60 +/- 2.09   4.085% *  0.3634% (0.45   0.02   0.02) =   0.059%
          HB3   LEU   67 - QD    PHE   59  12.22 +/- 2.29   2.136% *  0.6770% (0.84   0.02   0.02) =   0.057%
          HG    LEU   40 - QD    PHE   59  13.08 +/- 3.01   1.817% *  0.5243% (0.65   0.02   0.02) =   0.038%
          HG    LEU   67 - QD    PHE   59  12.19 +/- 2.10   1.893% *  0.4264% (0.53   0.02   0.02) =   0.032%
          HG2   LYS+ 102 - QD    PHE   59  20.95 +/- 3.78   0.254% *  0.7822% (0.97   0.02   0.02) =   0.008%
          HG    LEU   80 - QD    PHE   59  17.33 +/- 3.01   0.430% *  0.3945% (0.49   0.02   0.02) =   0.007%
          HG12  ILE   19 - QD    PHE   59  16.62 +/- 2.25   0.543% *  0.3042% (0.38   0.02   0.02) =   0.007%
    Distance limit 5.20 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 = 0.458, support = 3.33, residual support = 21.7:
        T HG13  ILE  119 - QD    PHE   59   3.07 +/- 0.74  59.692% * 74.5710% (0.41 10.00   3.70  24.31) =  89.204%  kept
        T QG1   VAL  107 - QD    PHE   59   6.28 +/- 2.92  21.848% * 22.7840% (0.84 10.00   0.30   0.16) =   9.976%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.02 +/- 2.00  17.086% *  2.3823% (0.98  1.00   0.27   1.97) =   0.816%  kept
          QG1   VAL   24 - QD    PHE   59  15.83 +/- 3.32   1.006% *  0.1814% (1.00  1.00   0.02   0.02) =   0.004%
          HB3   LEU   31 - QD    PHE   59  18.24 +/- 2.35   0.368% *  0.0813% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.84, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.56 +/- 1.16  55.005% * 60.0043% (0.98   0.02   0.02) =  77.683%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.51 +/- 0.77  30.625% * 22.9752% (0.38   0.02   0.02) =  16.560%  kept
          HB3   LEU  104 - QD    PHE   59  14.82 +/- 4.18  14.370% * 17.0205% (0.28   0.02   0.02) =   5.757%  kept
    Distance limit 4.94 A violated in 16 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.55, residual support = 28.7:
          QD2   LEU  115 - QD    PHE   59   2.57 +/- 0.71  63.944% * 88.9171% (0.98   4.70  29.78) =  96.453%  kept
          QD1   LEU   63 - QD    PHE   59   6.32 +/- 2.23  23.419% *  8.7107% (0.92   0.49   0.02) =   3.461%  kept
          QD1   LEU   73 - QD    PHE   59  12.31 +/- 2.35   2.342% *  1.4281% (0.92   0.08   0.02) =   0.057%
          QD2   LEU   63 - QD    PHE   59   6.77 +/- 1.70   7.428% *  0.1316% (0.34   0.02   0.02) =   0.017%
          QD1   LEU  104 - QD    PHE   59  12.42 +/- 3.28   1.189% *  0.3088% (0.80   0.02   0.02) =   0.006%
          QD2   LEU   80 - QD    PHE   59  14.83 +/- 2.25   0.822% *  0.3722% (0.97   0.02   0.02) =   0.005%
          QG1   VAL   83 - QD    PHE   59  14.62 +/- 1.78   0.858% *  0.1316% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 29.8:
        T QD1   LEU  115 - QD    PHE   59   3.10 +/- 0.68  86.941% * 99.5113% (0.84 10.00   4.46  29.78) =  99.960%  kept
          QB    ALA   64 - QD    PHE   59   8.03 +/- 0.70   7.433% *  0.4116% (0.15  1.00   0.45   0.02) =   0.035%
          QG1   VAL   75 - QD    PHE   59   9.35 +/- 1.39   5.626% *  0.0771% (0.65  1.00   0.02   0.02) =   0.005%
    Distance limit 4.46 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 = 29.5:
        T HA    LEU  115 - QE    PHE   59   3.43 +/- 0.61  69.784% * 91.5046% (0.73 10.00   1.50  29.78) =  99.000%  kept
          HA    GLU- 114 - QE    PHE   59   7.36 +/- 0.49   8.144% *  7.5731% (1.00  1.00   0.90   0.02) =   0.956%  kept
        T HA    ARG+  54 - QE    PHE   59   9.64 +/- 1.70   6.473% *  0.3325% (0.20 10.00   0.02   0.02) =   0.033%
          HA    CYS   53 - QE    PHE   59   7.77 +/- 1.93  13.775% *  0.0294% (0.18  1.00   0.02   0.02) =   0.006%
          HA    ALA   34 - QE    PHE   59  19.51 +/- 2.59   0.537% *  0.1457% (0.87  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QE    PHE   59  20.98 +/- 3.73   0.433% *  0.1647% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    PHE   59  19.58 +/- 2.99   0.487% *  0.1154% (0.69  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QE    PHE   59  21.65 +/- 3.47   0.367% *  0.1345% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.84, residual support = 12.4:
        T HB    THR  118 - QE    PHE   59   3.58 +/- 0.92  93.874% * 99.7427% (0.95 10.00   1.84  12.36) =  99.996%  kept
          HA    ILE   89 - QE    PHE   59  14.88 +/- 3.39   2.117% *  0.0694% (0.61  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - QE    PHE   59  18.65 +/- 2.65   1.599% *  0.0513% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QE    PHE   59  21.39 +/- 2.73   0.956% *  0.0694% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QE    PHE   59  22.40 +/- 2.56   0.801% *  0.0471% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.94 +/- 2.41   0.653% *  0.0200% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 1 structures by 0.15 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.948, support = 1.17, residual support = 1.73:
          QE    LYS+ 112 - QE    PHE   59   5.67 +/- 2.15  39.713% * 75.1423% (1.00   1.35   1.97) =  80.512%  kept
          HB    VAL  107 - QE    PHE   59   6.87 +/- 3.91  34.245% * 18.9824% (0.80   0.43   0.16) =  17.539%  kept
          HB3   ASP-  62 - QE    PHE   59   6.76 +/- 1.05  20.157% *  3.3088% (0.14   0.44   6.41) =   1.799%  kept
          HB3   PHE   45 - QE    PHE   59  11.42 +/- 2.79   4.365% *  1.1124% (1.00   0.02   0.02) =   0.131%  kept
          HB3   ASP-  86 - QE    PHE   59  19.00 +/- 2.25   0.594% *  0.4998% (0.45   0.02   0.02) =   0.008%
          HG2   GLU-  29 - QE    PHE   59  23.25 +/- 3.27   0.400% *  0.6762% (0.61   0.02   0.02) =   0.007%
          QG    GLN   32 - QE    PHE   59  21.42 +/- 2.62   0.526% *  0.2780% (0.25   0.02   0.02) =   0.004%
    Distance limit 5.39 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 = 0.728, support = 4.33, residual support = 24.2:
          HG12  ILE  119 - QE    PHE   59   2.65 +/- 0.56  91.198% * 81.8299% (0.73   4.35  24.31) =  99.427%  kept
          HB2   ASP-  44 - QE    PHE   59   9.49 +/- 2.26   3.697% *  8.1715% (0.99   0.32   0.02) =   0.403%  kept
          HB3   PHE   72 - QE    PHE   59  13.11 +/- 2.09   1.475% *  7.9049% (1.00   0.31   0.02) =   0.155%  kept
          QG    GLN   90 - QE    PHE   59  15.15 +/- 2.62   0.653% *  0.5079% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  15 - QE    PHE   59  19.36 +/- 2.10   0.520% *  0.4902% (0.95   0.02   0.02) =   0.003%
          QG    GLU-  14 - QE    PHE   59  20.59 +/- 2.34   0.482% *  0.5170% (1.00   0.02   0.02) =   0.003%
          HG3   MET   92 - QE    PHE   59  13.07 +/- 3.00   1.367% *  0.1292% (0.25   0.02   0.02) =   0.002%
          QB    MET   11 - QE    PHE   59  25.58 +/- 3.98   0.373% *  0.2726% (0.53   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   59  22.39 +/- 3.33   0.234% *  0.1768% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.49 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 = 0.726, support = 3.71, residual support = 20.1:
          HG13  ILE  119 - QE    PHE   59   3.17 +/- 0.78  50.510% * 63.3017% (0.73   4.27  24.31) =  82.075%  kept
          QG1   VAL  107 - QE    PHE   59   5.13 +/- 3.15  34.073% * 10.7036% (0.53   1.00   0.16) =   9.362%  kept
          HD3   LYS+ 112 - QE    PHE   59   6.71 +/- 2.01  13.204% * 25.2261% (0.95   1.31   1.97) =   8.550%  kept
          QG1   VAL   24 - QE    PHE   59  16.44 +/- 3.74   0.854% *  0.3545% (0.87   0.02   0.02) =   0.008%
          QB    ALA   20 - QE    PHE   59  14.28 +/- 2.97   1.045% *  0.1019% (0.25   0.02   0.02) =   0.003%
          HB3   LEU   31 - QE    PHE   59  18.83 +/- 2.81   0.314% *  0.3123% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.43 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 = 0.857, support = 2.85, residual support = 28.9:
        T QD2   LEU  115 - QE    PHE   59   2.32 +/- 0.52  76.543% * 84.2926% (0.87 10.00   2.92  29.78) =  97.044%  kept
        T QD1   LEU   63 - QE    PHE   59   7.51 +/- 2.55  14.806% * 12.5086% (0.53 10.00   0.49   0.02) =   2.786%  kept
        T QD1   LEU   73 - QE    PHE   59  12.83 +/- 3.06   4.782% *  2.0508% (0.53 10.00   0.08   0.02) =   0.148%  kept
        T QD1   LEU  104 - QE    PHE   59  12.07 +/- 3.44   1.437% *  0.9696% (1.00 10.00   0.02   0.02) =   0.021%
          QD2   LEU   80 - QE    PHE   59  15.19 +/- 2.57   0.664% *  0.0871% (0.90  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   59  14.79 +/- 2.07   0.684% *  0.0743% (0.76  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  11.58 +/- 2.08   1.083% *  0.0170% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 2.93, residual support = 29.4:
          QD1   LEU  115 - QE    PHE   59   2.97 +/- 0.76  88.182% * 86.5330% (0.45   2.96  29.78) =  98.880%  kept
          QB    ALA   64 - QE    PHE   59   9.03 +/- 1.14   6.448% * 13.1040% (0.45   0.45   0.02) =   1.095%  kept
          QG1   VAL   75 - QE    PHE   59   9.86 +/- 2.08   5.370% *  0.3630% (0.28   0.02   0.02) =   0.025%
    Distance limit 4.89 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 = 4.25, residual support = 12.4:
          QG2   THR  118 - QE    PHE   59   2.58 +/- 0.81 100.000% *100.0000% (0.80   4.25  12.36) = 100.000%  kept
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.11, residual support = 72.4:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  91.195% * 99.6713% (0.99  10.0   1.11  72.39) =  99.991%  kept
          HN    LYS+  66 - QE    PHE   60   8.37 +/- 1.27   3.769% *  0.1391% (0.76   1.0   0.02   0.02) =   0.006%
          QE    PHE   59 - QE    PHE   60   9.09 +/- 2.03   4.596% *  0.0506% (0.28   1.0   0.02  20.21) =   0.003%
          HN    LYS+  81 - QE    PHE   60  16.87 +/- 4.59   0.440% *  0.1391% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 0.844, support = 1.38, residual support = 4.56:
          HB3   PHE   72 - QE    PHE   60   8.62 +/- 2.54  22.677% * 59.2033% (0.87   1.87   6.67) =  58.886%  kept
          HB2   ASP-  44 - QE    PHE   60   6.81 +/- 2.92  33.292% * 20.9264% (0.76   0.75   2.08) =  30.557%  kept
          HG12  ILE  119 - QE    PHE   60  10.40 +/- 1.94  13.442% * 16.8991% (0.98   0.47   0.02) =   9.963%  kept
          HG3   MET   92 - QE    PHE   60  14.23 +/- 4.27  10.585% *  0.4134% (0.57   0.02   0.02) =   0.192%  kept
          QG    GLN   90 - QE    PHE   60  15.34 +/- 3.54   4.642% *  0.6741% (0.92   0.02   0.02) =   0.137%  kept
          HB2   GLU-  29 - QE    PHE   60  17.70 +/- 4.61   3.711% *  0.5016% (0.69   0.02   0.02) =   0.082%
          QG    GLU-  14 - QE    PHE   60  16.13 +/- 3.77   2.902% *  0.5847% (0.80   0.02   0.02) =   0.074%
          QG    GLU-  15 - QE    PHE   60  15.07 +/- 3.00   3.479% *  0.4724% (0.65   0.02   0.02) =   0.072%
          HB2   ASP- 105 - QE    PHE   60  14.67 +/- 2.46   3.931% *  0.1626% (0.22   0.02   0.02) =   0.028%
          QB    MET   11 - QE    PHE   60  21.20 +/- 3.84   1.338% *  0.1626% (0.22   0.02   0.02) =   0.010%
    Distance limit 5.14 A violated in 5 structures by 0.99 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.975, support = 1.2, residual support = 2.58:
          HB    VAL   42 - QE    PHE   60   8.95 +/- 2.82  15.328% * 52.9124% (1.00  1.00   1.63   3.82) =  62.447%  kept
          HB2   LYS+ 112 - QE    PHE   60  12.17 +/- 3.90  11.648% * 16.7039% (0.92  1.00   0.56   0.52) =  14.981%  kept
          HB3   LEU   73 - QE    PHE   60   9.91 +/- 3.66   9.974% * 18.6922% (0.98  1.00   0.59   0.85) =  14.354%  kept
          HG3   LYS+  65 - QE    PHE   60   9.36 +/- 1.76  13.270% *  6.8345% (1.00  1.00   0.21   0.02) =   6.983%  kept
        T QB    ALA   84 - QE    PHE   60  13.39 +/- 3.05   3.203% *  1.6218% (0.25 10.00   0.02   0.02) =   0.400%  kept
          HB3   LYS+  74 - QE    PHE   60   8.60 +/- 4.09  20.416% *  0.1622% (0.25  1.00   0.02   0.02) =   0.255%  kept
          HB3   PRO   93 - QE    PHE   60  10.18 +/- 2.97  10.291% *  0.1808% (0.28  1.00   0.02   0.02) =   0.143%  kept
          HG3   LYS+  33 - QE    PHE   60  16.11 +/- 3.49   2.329% *  0.6489% (1.00  1.00   0.02   0.02) =   0.116%  kept
          HG3   LYS+ 106 - QE    PHE   60  15.34 +/- 3.25   2.188% *  0.5433% (0.84  1.00   0.02   0.02) =   0.092%
          QB    LEU   98 - QE    PHE   60  13.67 +/- 1.81   3.144% *  0.3166% (0.49  1.00   0.02   0.02) =   0.077%
          HG3   LYS+ 102 - QE    PHE   60  21.44 +/- 2.54   0.925% *  0.6277% (0.97  1.00   0.02   0.02) =   0.045%
          HD3   LYS+ 121 - QE    PHE   60  14.58 +/- 2.74   3.972% *  0.1448% (0.22  1.00   0.02   0.02) =   0.044%
          QB    ALA   12 - QE    PHE   60  18.54 +/- 3.50   1.155% *  0.4970% (0.76  1.00   0.02   0.02) =   0.044%
          HG    LEU   98 - QE    PHE   60  15.18 +/- 2.50   2.155% *  0.1139% (0.18  1.00   0.02   0.02) =   0.019%
    Distance limit 5.16 A violated in 4 structures by 0.81 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.201, support = 1.31, residual support = 4.13:
        T QD1   ILE   56 - QE    PHE   60   7.53 +/- 2.05  59.358% * 98.7481% (0.20 10.00   1.31   4.15) =  99.560%  kept
          QD2   LEU  123 - QE    PHE   60  12.02 +/- 2.05  23.422% *  0.7007% (0.92  1.00   0.02   0.02) =   0.279%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.34 +/- 2.97  17.220% *  0.5512% (0.73  1.00   0.02   0.02) =   0.161%  kept
    Distance limit 5.39 A violated in 12 structures by 1.92 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.692, support = 1.42, residual support = 3.09:
          QB    ALA   64 - QE    PHE   60   5.05 +/- 1.52  51.550% * 59.0056% (0.84   1.19   2.81) =  70.966%  kept
          QG1   VAL   42 - QE    PHE   60   6.87 +/- 2.35  30.520% * 40.4626% (0.34   2.00   3.82) =  28.812%  kept
          QB    ALA   47 - QE    PHE   60   9.33 +/- 2.51  17.930% *  0.5318% (0.45   0.02   0.02) =   0.222%  kept
    Distance limit 4.95 A violated in 3 structures by 0.41 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 2.2, residual support = 3.79:
          HB2   ASP-  44 - QD    PHE   60   6.24 +/- 2.85  36.441% * 38.2006% (0.87   1.84   2.08) =  53.796%  kept
          HB3   PHE   72 - QD    PHE   60   8.83 +/- 2.01  19.765% * 52.4971% (0.76   2.88   6.67) =  40.099%  kept
          HG12  ILE  119 - QD    PHE   60   8.50 +/- 1.74  20.268% *  7.5282% (0.34   0.92   0.02) =   5.897%  kept
          QG    GLU-  15 - QD    PHE   60  15.41 +/- 2.45   2.954% *  0.4517% (0.95   0.02   0.02) =   0.052%
          QG    GLN   90 - QD    PHE   60  15.24 +/- 3.02   3.813% *  0.3280% (0.69   0.02   0.02) =   0.048%
          QG    GLU-  14 - QD    PHE   60  16.46 +/- 3.34   2.680% *  0.3988% (0.84   0.02   0.02) =   0.041%
          HG2   MET   92 - QD    PHE   60  13.93 +/- 3.54  11.024% *  0.0836% (0.18   0.02   0.02) =   0.036%
          QB    MET   11 - QD    PHE   60  21.57 +/- 3.92   1.600% *  0.4282% (0.90   0.02   0.02) =   0.026%
          HG3   GLU-  36 - QD    PHE   60  21.07 +/- 2.94   1.455% *  0.0836% (0.18   0.02   0.02) =   0.005%
    Distance limit 5.21 A violated in 5 structures by 0.88 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.26, residual support = 90.3:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.394% * 99.8968% (0.87  10.0   3.26  90.32) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  10.89 +/- 1.05   0.959% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.34 +/- 1.18   0.647% *  0.0287% (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 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.696, support = 3.17, residual support = 5.78:
          QD    PHE   60 - QD    PHE   72   6.59 +/- 1.94  36.882% * 82.8009% (0.76   3.51   6.67) =  86.340%  kept
          HE3   TRP   27 - QD    PHE   72   6.73 +/- 0.87  29.164% *  9.0639% (0.25   1.18   0.02) =   7.474%  kept
          HN    LYS+  66 - QD    PHE   72   6.85 +/- 0.81  29.324% *  7.4019% (0.28   0.86   0.42) =   6.137%  kept
          HN    LYS+  81 - QD    PHE   72  15.85 +/- 2.14   2.438% *  0.6113% (0.99   0.02   0.02) =   0.042%
          QD    PHE   55 - QD    PHE   72  15.39 +/- 1.19   2.192% *  0.1221% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.42 A violated in 3 structures by 0.71 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.19, residual support = 10.0:
          QE    PHE   60 - QD    PHE   72   6.33 +/- 2.40  40.536% * 34.9514% (0.18   1.95   6.67) =  48.969%  kept
          HN    LEU   63 - QD    PHE   72   7.10 +/- 0.88  28.175% * 42.3659% (0.80   0.52  16.43) =  41.258%  kept
          HZ2   TRP   87 - QD    PHE   72  12.36 +/- 4.31  14.413% * 18.1754% (0.73   0.24   0.02) =   9.054%  kept
          HD21  ASN   28 - QD    PHE   72  11.78 +/- 1.20   6.226% *  1.8365% (0.90   0.02   0.02) =   0.395%  kept
          HN    ILE   56 - QD    PHE   72  14.55 +/- 0.96   3.406% *  1.4066% (0.69   0.02   0.02) =   0.166%  kept
          HN    ALA   84 - QD    PHE   72  14.72 +/- 2.23   4.355% *  0.6320% (0.31   0.02   0.02) =   0.095%
          HN    LYS+ 111 - QD    PHE   72  16.53 +/- 2.41   2.890% *  0.6320% (0.31   0.02   0.02) =   0.063%
    Distance limit 5.10 A violated in 3 structures by 0.62 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.61, residual support = 90.3:
          HN    PHE   72 - QD    PHE   72   2.37 +/- 0.58  98.408% * 99.8233% (0.98   5.61  90.32) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  11.58 +/- 1.70   1.592% *  0.1767% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.59 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 = 2.03, residual support = 90.3:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.740% * 52.6465% (0.76  10.0 10.00   1.00  90.32) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.597% * 47.3200% (0.69  10.0 10.00   3.26  90.32) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   8.10 +/- 1.88   1.662% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 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 = 0.629, support = 1.1, residual support = 4.93:
          QD    PHE   60 - QE    PHE   72   5.61 +/- 2.12  42.769% * 65.1217% (0.76   1.14   6.67) =  72.556%  kept
          HN    LYS+  66 - QE    PHE   72   5.08 +/- 0.78  40.170% * 22.2422% (0.28   1.07   0.42) =  23.276%  kept
          HE3   TRP   27 - QE    PHE   72   8.15 +/- 1.44  14.534% * 10.8587% (0.25   0.58   0.02) =   4.111%  kept
          HN    LYS+  81 - QE    PHE   72  15.55 +/- 1.98   1.216% *  1.4815% (0.99   0.02   0.02) =   0.047%
          QD    PHE   55 - QE    PHE   72  14.45 +/- 0.99   1.310% *  0.2958% (0.20   0.02   0.02) =   0.010%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.3:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.580% * 99.8250% (1.00  10.0   1.00  90.32) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  12.54 +/- 2.93   0.934% *  0.1133% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  14.63 +/- 2.05   0.486% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.66, residual support = 90.3:
          HA    PHE   72 - QD    PHE   72   3.61 +/- 0.23  94.224% * 99.8371% (0.90   4.66  90.32) =  99.990%  kept
          HA    MET   96 - QD    PHE   72   9.68 +/- 1.37   5.776% *  0.1629% (0.34   0.02   0.02) =   0.010%
    Distance limit 5.10 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 = 0.525, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   8.43 +/- 1.24  47.291% *  9.9133% (0.22   0.02   0.02) =  29.380%  kept
          HA    THR   23 - QD    PHE   72  12.53 +/- 0.91  15.888% * 28.8048% (0.65   0.02   0.02) =  28.681%  kept
          HA    ASP-  78 - QD    PHE   72  14.57 +/- 0.64   9.943% * 41.1037% (0.92   0.02   0.02) =  25.612%  kept
          HA    LEU   80 - QD    PHE   72  14.43 +/- 2.44  11.117% * 12.3802% (0.28   0.02   0.02) =   8.625%  kept
          HB    THR   23 - QD    PHE   72  13.30 +/- 1.55  15.762% *  7.7981% (0.18   0.02   0.02) =   7.703%  kept
    Distance limit 5.06 A violated in 18 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.99, residual support = 63.3:
        T HA    ALA   64 - QD    PHE   72   3.90 +/- 0.65  25.171% * 82.2895% (0.92   1.0 10.00   3.62  46.55) =  61.788%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.48 +/- 0.19  72.607% * 17.6413% (0.20  10.0 10.00   4.58  90.32) =  38.210%  kept
          QE    LYS+  66 - QD    PHE   72   9.53 +/- 1.41   1.705% *  0.0222% (0.25   1.0  1.00   0.02   0.42) =   0.001%
          HB3   ASN   35 - QD    PHE   72  13.42 +/- 1.23   0.518% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 90.3:
      O T HB3   PHE   72 - QD    PHE   72   2.45 +/- 0.14  80.031% * 99.4111% (0.98  10.0 10.00   4.84  90.32) =  99.977%  kept
          HB2   ASP-  44 - QD    PHE   72   5.31 +/- 1.14  14.637% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.017%
          QG    GLU-  15 - QD    PHE   72  10.34 +/- 2.49   1.431% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   72  12.27 +/- 2.73   1.176% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QD    PHE   72  12.58 +/- 2.20   0.977% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   72  15.21 +/- 1.76   0.433% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   72  12.97 +/- 1.45   0.662% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.23 +/- 2.03   0.352% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.25 +/- 2.80   0.300% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.769, support = 1.78, residual support = 13.0:
        T HB    VAL   42 - QD    PHE   72   4.00 +/- 1.04  39.648% * 55.0947% (0.80 10.00   0.83   4.53) =  71.196%  kept
          HB3   LEU   73 - QD    PHE   72   4.94 +/- 0.72  24.403% * 27.9535% (0.73  1.00   4.66  43.62) =  22.234%  kept
          HB3   LYS+  74 - QD    PHE   72   5.98 +/- 1.02  15.739% * 11.7462% (0.57  1.00   2.51   1.35) =   6.026%  kept
          HG3   LYS+  65 - QD    PHE   72   8.64 +/- 1.00   4.119% *  3.4165% (0.80  1.00   0.52   0.02) =   0.459%  kept
        T HB2   LYS+ 112 - QD    PHE   72  16.05 +/- 3.14   0.912% *  1.0016% (0.61 10.00   0.02   0.02) =   0.030%
          QB    LEU   98 - QD    PHE   72   8.58 +/- 1.47   4.723% *  0.1379% (0.84  1.00   0.02   0.02) =   0.021%
          HG3   LYS+  33 - QD    PHE   72  10.42 +/- 1.54   2.276% *  0.1432% (0.87  1.00   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - QD    PHE   72  14.16 +/- 5.10   3.198% *  0.0869% (0.53  1.00   0.02   0.02) =   0.009%
          QB    ALA   12 - QD    PHE   72  14.96 +/- 2.47   1.071% *  0.1637% (0.99  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - QD    PHE   72  12.44 +/- 2.22   1.645% *  0.0804% (0.49  1.00   0.02   0.02) =   0.004%
          HB2   LEU   80 - QD    PHE   72  13.24 +/- 3.14   1.628% *  0.0620% (0.38  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QD    PHE   72  16.06 +/- 2.13   0.637% *  0.1134% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 4.57 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 = 0.506, support = 1.64, residual support = 23.5:
        T QD1   LEU   67 - QD    PHE   72   3.61 +/- 0.96  39.909% * 69.8885% (0.41 10.00   1.50  27.86) =  82.135%  kept
          HB    VAL   75 - QD    PHE   72   5.13 +/- 1.15  22.048% * 26.1307% (0.98  1.00   2.35   3.65) =  16.966%  kept
          HG3   LYS+  74 - QD    PHE   72   6.98 +/- 0.94   9.936% *  2.5252% (0.22  1.00   1.00   1.35) =   0.739%  kept
        T QD1   ILE  119 - QD    PHE   72  10.52 +/- 1.79   2.589% *  1.1925% (0.53 10.00   0.02   0.02) =   0.091%
          QD2   LEU   40 - QD    PHE   72   5.31 +/- 1.40  20.309% *  0.1016% (0.45  1.00   0.02   0.02) =   0.061%
          QG2   ILE  103 - QD    PHE   72  10.35 +/- 1.31   1.989% *  0.0700% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - QD    PHE   72  11.64 +/- 1.98   1.656% *  0.0565% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  11.81 +/- 1.73   1.564% *  0.0350% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 5.07 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 = 0.935, support = 6.49, residual support = 43.0:
          QD2   LEU   73 - QD    PHE   72   3.30 +/- 0.98  53.397% * 95.6777% (0.95   6.57  43.62) =  98.584%  kept
          QG1   VAL   43 - QD    PHE   72   5.42 +/- 1.15  20.011% *  2.5347% (0.15   1.07   0.02) =   0.979%  kept
          QG1   VAL   41 - QD    PHE   72   5.83 +/- 1.50  19.667% *  1.0635% (0.28   0.25   0.02) =   0.404%  kept
          HG    LEU   31 - QD    PHE   72   8.65 +/- 1.55   3.948% *  0.2571% (0.84   0.02   0.02) =   0.020%
          QD1   ILE   56 - QD    PHE   72  11.41 +/- 1.44   1.892% *  0.3050% (0.99   0.02   0.02) =   0.011%
          HG3   LYS+ 121 - QD    PHE   72  15.01 +/- 4.52   1.084% *  0.1619% (0.53   0.02   0.02) =   0.003%
    Distance limit 5.09 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 = 5.78, residual support = 46.5:
        T QB    ALA   64 - QD    PHE   72   2.70 +/- 0.25  97.806% * 99.9781% (0.80 10.00   5.78  46.55) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.92 +/- 1.60   2.194% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.71, residual support = 46.3:
        T QG2   VAL   70 - QD    PHE   72   2.09 +/- 0.45 100.000% *100.0000% (0.65 10.00   3.71  46.25) = 100.000%  kept
    Distance limit 4.83 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 = 4.04, residual support = 46.0:
        T HA    ALA   64 - QE    PHE   72   2.55 +/- 0.52  91.813% * 87.8051% (0.38 10.00   4.08  46.55) =  98.879%  kept
          QE    LYS+  66 - QE    PHE   72   7.89 +/- 1.39   7.627% * 11.9631% (0.80  1.00   1.28   0.42) =   1.119%  kept
          HB3   ASN   35 - QE    PHE   72  15.22 +/- 1.60   0.560% *  0.2319% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 4.21 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 = 4.22, residual support = 43.8:
        T HB    VAL   70 - QE    PHE   72   2.80 +/- 0.94  69.128% * 80.0852% (0.99 10.00   4.43  46.25) =  94.589%  kept
        T QG    GLN   17 - QE    PHE   72   8.52 +/- 2.76  16.043% * 19.6946% (0.97 10.00   0.51   0.02) =   5.398%  kept
          HB2   MET   96 - QE    PHE   72   9.07 +/- 2.03   9.381% *  0.0675% (0.84  1.00   0.02   0.02) =   0.011%
          HB3   ASP-  76 - QE    PHE   72   9.45 +/- 1.03   2.296% *  0.0249% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  15.95 +/- 1.37   0.457% *  0.0725% (0.90  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   72  14.89 +/- 2.27   0.586% *  0.0303% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  12.65 +/- 2.58   1.398% *  0.0125% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.22 +/- 1.98   0.711% *  0.0125% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.459, support = 3.22, residual support = 26.4:
        T HB2   LEU   67 - QE    PHE   72   3.28 +/- 1.32  47.224% * 83.0941% (0.45 10.00   3.32  27.86) =  94.667%  kept
          HG2   PRO   68 - QE    PHE   72   7.21 +/- 1.78  13.569% * 11.5608% (0.80  1.00   1.56   0.54) =   3.784%  kept
          HB    VAL   18 - QE    PHE   72   5.92 +/- 4.12  28.027% *  1.8746% (0.22  1.00   0.91   0.76) =   1.268%  kept
          HB    ILE   19 - QE    PHE   72   8.35 +/- 1.84   3.841% *  2.8071% (0.73  1.00   0.42   0.02) =   0.260%  kept
          HB2   GLN   17 - QE    PHE   72   9.31 +/- 2.46   2.989% *  0.1383% (0.18  1.00   0.09   0.02) =   0.010%
          HB2   LEU  115 - QE    PHE   72  12.83 +/- 1.95   1.174% *  0.1548% (0.84  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - QE    PHE   72  13.27 +/- 1.21   0.722% *  0.1608% (0.87  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QE    PHE   72  14.40 +/- 2.02   0.747% *  0.1199% (0.65  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QE    PHE   72  11.60 +/- 2.48   1.277% *  0.0325% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    PHE   72  16.17 +/- 1.24   0.429% *  0.0572% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.504, support = 2.56, residual support = 18.8:
          HB3   LEU   67 - QE    PHE   72   3.37 +/- 1.30  42.759% * 36.3786% (0.38   3.17  27.86) =  66.093%  kept
          HB3   LYS+  74 - QE    PHE   72   6.09 +/- 1.25  13.577% * 42.3625% (0.90   1.55   1.35) =  24.438%  kept
          QG    LYS+  66 - QE    PHE   72   6.44 +/- 1.29  16.488% *  8.4757% (0.22   1.25   0.42) =   5.938%  kept
          HG12  ILE   19 - QE    PHE   72   9.04 +/- 2.65   6.219% *  6.9400% (0.84   0.27   0.02) =   1.834%  kept
          QB    ALA   61 - QE    PHE   72   6.01 +/- 1.10  11.327% *  3.1393% (0.53   0.20   0.02) =   1.511%  kept
          QB    LEU   98 - QE    PHE   72   9.77 +/- 1.57   2.907% *  0.3951% (0.65   0.02   0.02) =   0.049%
          QB    ALA  110 - QE    PHE   72  13.00 +/- 2.63   2.182% *  0.4668% (0.76   0.02   0.02) =   0.043%
          HB2   LEU   80 - QE    PHE   72  13.20 +/- 2.87   1.273% *  0.6054% (0.99   0.02   0.02) =   0.033%
          HD3   LYS+ 121 - QE    PHE   72  13.96 +/- 4.69   1.244% *  0.5639% (0.92   0.02   0.02) =   0.030%
          HG    LEU   80 - QE    PHE   72  13.35 +/- 3.46   1.402% *  0.4435% (0.73   0.02   0.02) =   0.026%
          QB    ALA   12 - QE    PHE   72  15.67 +/- 2.61   0.620% *  0.2292% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.30 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 = 0.452, support = 3.95, residual support = 26.0:
        T QD1   LEU   67 - QE    PHE   72   2.40 +/- 0.68  52.686% * 80.1481% (0.41 10.00   4.13  27.86) =  92.231%  kept
          HB    VAL   75 - QE    PHE   72   4.38 +/- 1.04  19.364% * 17.3962% (0.98  1.00   1.82   3.65) =   7.358%  kept
          HG3   LYS+  74 - QE    PHE   72   6.64 +/- 1.49  12.957% *  1.2037% (0.22  1.00   0.55   1.35) =   0.341%  kept
        T QD1   ILE  119 - QE    PHE   72   9.78 +/- 1.94   2.145% *  1.0257% (0.53 10.00   0.02   0.02) =   0.048%
          QD2   LEU   40 - QE    PHE   72   6.27 +/- 1.35  10.779% *  0.0874% (0.45  1.00   0.02   0.02) =   0.021%
          QG2   ILE  103 - QE    PHE   72  11.00 +/- 1.72   0.785% *  0.0602% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  12.40 +/- 2.46   0.531% *  0.0486% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  11.66 +/- 2.14   0.753% *  0.0301% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.553, support = 4.33, residual support = 23.9:
          HB3   LEU   63 - QE    PHE   72   5.28 +/- 1.66  20.450% * 76.4547% (0.73   4.43  16.43) =  67.927%  kept
          QG1   VAL   70 - QE    PHE   72   3.50 +/- 0.76  32.161% * 19.6170% (0.18   4.72  46.25) =  27.411%  kept
          QG1   VAL   18 - QE    PHE   72   4.83 +/- 3.65  31.504% *  3.3108% (0.25   0.56   0.76) =   4.532%  kept
          QD1   LEU   40 - QE    PHE   72   5.39 +/- 1.28  13.793% *  0.1466% (0.31   0.02   0.02) =   0.088%
          QG1   VAL  108 - QE    PHE   72  12.63 +/- 2.42   2.092% *  0.4709% (0.99   0.02   0.02) =   0.043%
    Distance limit 4.29 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 = 0.869, support = 3.66, residual support = 19.9:
          QD1   LEU   63 - QE    PHE   72   4.71 +/- 1.28  30.027% * 43.3265% (0.98   4.08  16.43) =  49.540%  kept
          QD2   LEU   63 - QE    PHE   72   4.05 +/- 0.86  39.179% * 25.1736% (0.69   3.38  16.43) =  37.557%  kept
          QD1   LEU   73 - QE    PHE   72   6.80 +/- 0.77  10.857% * 30.8666% (0.98   2.91  43.62) =  12.761%  kept
          QG2   VAL   41 - QE    PHE   72   6.84 +/- 1.21  10.977% *  0.2299% (0.18   0.12   0.02) =   0.096%
          QD2   LEU  115 - QE    PHE   72  10.16 +/- 1.50   3.029% *  0.1574% (0.73   0.02   0.02) =   0.018%
          QD2   LEU   80 - QE    PHE   72  11.17 +/- 2.52   3.196% *  0.1489% (0.69   0.02   0.02) =   0.018%
          QD1   LEU  104 - QE    PHE   72  10.39 +/- 2.05   2.735% *  0.0972% (0.45   0.02   0.02) =   0.010%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 5.02, residual support = 46.2:
          QB    ALA   64 - QE    PHE   72   2.26 +/- 0.54  69.498% * 97.3705% (0.69   5.07  46.55) =  99.087%  kept
          QG1   VAL   42 - QE    PHE   72   4.20 +/- 1.61  28.417% *  2.1795% (0.49   0.16   4.53) =   0.907%  kept
          QB    ALA   47 - QE    PHE   72  10.77 +/- 1.88   0.838% *  0.3393% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - QE    PHE   72  14.52 +/- 3.54   1.248% *  0.1107% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.66 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 = 5.35, residual support = 46.3:
        T QG2   VAL   70 - QE    PHE   72   2.94 +/- 0.45 100.000% *100.0000% (0.90 10.00   5.35  46.25) = 100.000%  kept
    Distance limit 4.26 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 = 2.9, residual support = 46.4:
        T HA    ALA   64 - HZ    PHE   72   2.96 +/- 0.91  87.981% * 96.7860% (0.65 10.00   2.91  46.55) =  99.586%  kept
          QE    LYS+  66 - HZ    PHE   72   8.20 +/- 1.57  11.422% *  3.0891% (0.53  1.00   0.78   0.42) =   0.413%  kept
          HB3   ASN   35 - HZ    PHE   72  18.13 +/- 1.85   0.597% *  0.1250% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 5.08 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 = 0.924, support = 3.22, residual support = 45.1:
        T HB    VAL   70 - HZ    PHE   72   4.70 +/- 0.98  64.437% * 91.0327% (0.92 10.00   3.30  46.25) =  97.441%  kept
        T QG    GLN   17 - HZ    PHE   72  10.11 +/- 3.10  17.680% *  8.2978% (0.97 10.00   0.17   0.02) =   2.437%  kept
        T HB2   MET   96 - HZ    PHE   72  10.87 +/- 2.35  13.836% *  0.5188% (0.53 10.00   0.02   0.02) =   0.119%  kept
          HB2   GLU-  25 - HZ    PHE   72  18.73 +/- 1.88   1.092% *  0.0984% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  17.00 +/- 2.27   1.627% *  0.0370% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  17.69 +/- 2.50   1.328% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.459, support = 2.99, residual support = 26.5:
        T HB2   LEU   67 - HZ    PHE   72   4.36 +/- 1.49  43.087% * 82.5762% (0.45 10.00   3.08  27.86) =  95.202%  kept
          HG2   PRO   68 - HZ    PHE   72   8.50 +/- 2.20  11.465% * 11.3607% (0.80  1.00   1.54   0.54) =   3.485%  kept
          HB    VAL   18 - HZ    PHE   72   7.32 +/- 4.49  28.433% *  1.0563% (0.22  1.00   0.52   0.76) =   0.804%  kept
          HB    ILE   19 - HZ    PHE   72  10.27 +/- 2.00   4.048% *  3.6588% (0.73  1.00   0.55   0.02) =   0.396%  kept
          HB2   GLN   17 - HZ    PHE   72  11.07 +/- 2.70   3.834% *  0.8261% (0.18  1.00   0.51   0.02) =   0.085%
          HB2   LEU  115 - HZ    PHE   72  14.15 +/- 2.67   3.301% *  0.1538% (0.84  1.00   0.02   0.02) =   0.014%
          HG3   PRO   58 - HZ    PHE   72  14.80 +/- 1.64   1.459% *  0.1598% (0.87  1.00   0.02   0.02) =   0.006%
          QB    GLU- 114 - HZ    PHE   72  16.00 +/- 2.68   1.762% *  0.1192% (0.65  1.00   0.02   0.02) =   0.006%
          QB    GLU-  15 - HZ    PHE   72  13.73 +/- 2.78   1.991% *  0.0323% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  18.97 +/- 1.74   0.621% *  0.0568% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.52, support = 2.42, residual support = 17.1:
          HB3   LEU   67 - HZ    PHE   72   4.51 +/- 1.32  39.663% * 34.2832% (0.38   3.03  27.86) =  59.736%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.69 +/- 1.81  15.316% * 43.4926% (0.90   1.61   1.35) =  29.264%  kept
          QG    LYS+  66 - HZ    PHE   72   6.53 +/- 1.58  22.498% *  9.4053% (0.22   1.40   0.42) =   9.296%  kept
          HG12  ILE   19 - HZ    PHE   72  10.98 +/- 2.92   3.181% *  9.8309% (0.84   0.39   0.02) =   1.374%  kept
          QB    ALA   61 - HZ    PHE   72   7.02 +/- 1.12   9.688% *  0.3174% (0.53   0.02   0.02) =   0.135%  kept
          HD3   LYS+ 121 - HZ    PHE   72  15.85 +/- 4.98   2.161% *  0.5569% (0.92   0.02   0.02) =   0.053%
          QB    ALA  110 - HZ    PHE   72  14.50 +/- 3.23   2.116% *  0.4610% (0.76   0.02   0.02) =   0.043%
          QB    LEU   98 - HZ    PHE   72  11.71 +/- 1.79   2.442% *  0.3903% (0.65   0.02   0.02) =   0.042%
          HB2   LEU   80 - HZ    PHE   72  15.46 +/- 2.80   1.078% *  0.5979% (0.99   0.02   0.02) =   0.028%
          HG    LEU   80 - HZ    PHE   72  15.61 +/- 3.49   1.221% *  0.4381% (0.73   0.02   0.02) =   0.023%
          QB    ALA   12 - HZ    PHE   72  18.11 +/- 3.08   0.637% *  0.2264% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.66 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 = 0.543, support = 3.01, residual support = 22.1:
        T QD1   LEU   67 - HZ    PHE   72   3.28 +/- 0.64  55.420% * 36.6756% (0.41 10.00   3.50  27.86) =  76.308%  kept
        T HB    VAL   75 - HZ    PHE   72   5.99 +/- 0.78   9.969% * 62.0073% (0.98 10.00   1.42   3.65) =  23.207%  kept
          HG3   LYS+  74 - HZ    PHE   72   8.01 +/- 1.99  11.924% *  0.7442% (0.22  1.00   0.75   1.35) =   0.333%  kept
        T QD1   ILE  119 - HZ    PHE   72  10.82 +/- 2.51   7.467% *  0.4694% (0.53 10.00   0.02   0.02) =   0.132%  kept
          QD2   LEU   40 - HZ    PHE   72   7.79 +/- 1.52  11.500% *  0.0400% (0.45  1.00   0.02   0.02) =   0.017%
          QG2   ILE  103 - HZ    PHE   72  12.85 +/- 2.12   1.310% *  0.0275% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  14.53 +/- 3.06   1.016% *  0.0222% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  13.32 +/- 2.64   1.394% *  0.0138% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.78, support = 3.1, residual support = 24.1:
        T HB3   LEU   63 - HZ    PHE   72   5.36 +/- 2.26  31.063% * 68.2137% (0.95 10.00   3.28  16.43) =  70.637%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.93 +/- 1.09  29.658% * 27.0639% (0.38 10.00   2.77  46.25) =  26.757%  kept
          QG1   VAL   18 - HZ    PHE   72   6.02 +/- 3.98  31.666% *  2.1814% (0.49  1.00   1.24   0.76) =   2.303%  kept
          QD1   LEU   71 - HZ    PHE   72   9.22 +/- 0.80   3.624% *  2.4665% (0.20  1.00   3.46  19.10) =   0.298%  kept
          QG1   VAL  108 - HZ    PHE   72  14.36 +/- 2.84   2.131% *  0.0602% (0.84  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HZ    PHE   72  13.63 +/- 3.21   1.859% *  0.0143% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.83, support = 2.64, residual support = 19.7:
          QD2   LEU   63 - HZ    PHE   72   4.33 +/- 1.27  45.283% * 30.0486% (0.69   2.95  16.43) =  50.783%  kept
          QD1   LEU   63 - HZ    PHE   72   5.19 +/- 1.42  29.738% * 33.2634% (0.98   2.29  16.43) =  36.918%  kept
          QD1   LEU   73 - HZ    PHE   72   8.61 +/- 0.87   9.090% * 35.8212% (0.98   2.46  43.62) =  12.152%  kept
          QG2   VAL   41 - HZ    PHE   72   8.52 +/- 1.35   7.197% *  0.3147% (0.18   0.12   0.02) =   0.085%
          QD2   LEU  115 - HZ    PHE   72  11.24 +/- 1.97   3.395% *  0.2154% (0.73   0.02   0.02) =   0.027%
          QD2   LEU   80 - HZ    PHE   72  13.07 +/- 2.48   3.161% *  0.2037% (0.69   0.02   0.02) =   0.024%
          QD1   LEU  104 - HZ    PHE   72  12.27 +/- 2.38   2.136% *  0.1330% (0.45   0.02   0.02) =   0.011%
    Distance limit 5.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.63, residual support = 46.3:
        T QG2   VAL   70 - HZ    PHE   72   4.51 +/- 0.32 100.000% *100.0000% (0.90 10.00   4.63  46.25) = 100.000%  kept
    Distance limit 5.08 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 = 70.6:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  70.62) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.717% * 99.9913% (0.98  10.0   1.00  70.62) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.96 +/- 2.23   0.283% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  97.166% * 99.8601% (0.98  10.0 10.00   1.00  70.62) =  99.997%  kept
          QD    PHE   97 - HE3   TRP   87  10.71 +/- 4.05   2.694% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HE3   TRP   49 - HE3   TRP   87  22.77 +/- 2.00   0.140% *  0.0382% (0.38   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 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.6:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  97.627% * 99.5607% (0.99  10.0   1.00  70.62) =  99.996%  kept
          HD21  ASN   28 - HH2   TRP   87  14.42 +/- 5.41   1.438% *  0.1969% (0.98   1.0   0.02   0.02) =   0.003%
          QE    PHE   60 - HH2   TRP   87  16.93 +/- 4.12   0.505% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  18.64 +/- 2.97   0.286% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  22.82 +/- 2.02   0.144% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.6:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  85.346% * 99.7330% (0.90  10.0   1.00  70.62) =  99.999%  kept
          HN    PHE   59 - HN    ILE   56   5.76 +/- 0.92  13.101% *  0.0027% (0.01   1.0   0.02  20.34) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  22.41 +/- 4.02   0.180% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  20.26 +/- 2.53   0.227% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  13.43 +/- 2.99   1.019% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  22.82 +/- 2.02   0.126% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.865, support = 0.748, residual support = 5.56:
          HZ2   TRP   27 - HZ2   TRP   87  10.64 +/- 7.19  41.336% * 99.3931% (0.87   0.75   5.58) =  99.701%  kept
          HZ    PHE   72 - HZ2   TRP   87  15.19 +/- 3.99  21.917% *  0.4715% (0.15   0.02   0.02) =   0.251%  kept
          HZ2   TRP   27 - HN    ILE   56  21.33 +/- 3.23  13.002% *  0.1150% (0.04   0.02   0.02) =   0.036%
          HZ    PHE   72 - HN    ILE   56  14.91 +/- 1.23  23.744% *  0.0205% (0.01   0.02   0.02) =   0.012%
    Distance limit 4.54 A violated in 11 structures by 5.35 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.695, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  13.36 +/- 1.95  30.666% * 10.8062% (0.49   0.02   0.02) =  24.892%  kept
          HD2   HIS   22 - HZ3   TRP   87  21.44 +/- 4.43  10.594% * 20.4937% (0.92   0.02   0.02) =  16.309%  kept
          HN    LEU   67 - HZ3   TRP   87  19.75 +/- 4.02  10.766% * 19.9101% (0.90   0.02   0.02) =  16.101%  kept
          HD21  ASN   35 - HZ3   TRP   87  20.54 +/- 6.63  15.703% * 11.6802% (0.53   0.02   0.02) =  13.777%  kept
          HD1   TRP   49 - HZ3   TRP   87  21.16 +/- 2.60   8.274% * 22.0041% (0.99   0.02   0.02) =  13.675%  kept
          HN    THR   23 - HZ3   TRP   87  18.69 +/- 3.97  14.631% * 11.6802% (0.53   0.02   0.02) =  12.837%  kept
          QD    PHE   55 - HZ3   TRP   87  21.83 +/- 2.54   9.367% *  3.4254% (0.15   0.02   0.02) =   2.410%  kept
    Distance limit 3.96 A violated in 20 structures by 7.70 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   3.89 +/- 0.24  95.227% * 97.7119% (0.38   3.72  22.68) =  99.961%  kept
          HN    GLU-  29 - HD1   TRP   87  18.68 +/- 5.59   1.697% *  1.1203% (0.80   0.02   0.02) =   0.020%
          HN    VAL   18 - HD1   TRP   87  20.91 +/- 5.45   1.317% *  0.7361% (0.53   0.02   0.02) =   0.010%
          HN    GLN   30 - HD1   TRP   87  18.30 +/- 5.36   1.759% *  0.4318% (0.31   0.02   0.02) =   0.008%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.71:
          QD1   LEU   31 - HH2   TRP   87  10.62 +/- 6.20 100.000% *100.0000% (0.80   0.75   1.71) = 100.000%  kept
    Distance limit 5.18 A violated in 11 structures by 5.81 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.578, support = 1.4, residual support = 1.48:
          QD2   LEU   98 - HH2   TRP   87   8.26 +/- 5.76  27.179% * 53.9292% (0.53  1.00   1.81   2.09) =  65.553%  kept
          QG2   VAL   41 - HH2   TRP   87  10.15 +/- 6.01  19.509% * 30.2773% (0.73  1.00   0.73   0.39) =  26.417%  kept
          QD1   LEU   80 - HH2   TRP   87  10.59 +/- 1.85  13.246% * 11.4997% (0.53  1.00   0.39   0.02) =   6.812%  kept
        T QD2   LEU  115 - HH2   TRP   87  16.52 +/- 2.20   5.142% *  1.9881% (0.18 10.00   0.02   0.02) =   0.457%  kept
          QD2   LEU   63 - HH2   TRP   87  15.26 +/- 3.93   6.244% *  1.1127% (0.98  1.00   0.02   0.02) =   0.311%  kept
          QD1   LEU   73 - HH2   TRP   87  11.14 +/- 3.69   9.882% *  0.5089% (0.45  1.00   0.02   0.02) =   0.225%  kept
          QD1   LEU   63 - HH2   TRP   87  15.73 +/- 3.96   5.167% *  0.5089% (0.45  1.00   0.02   0.02) =   0.118%  kept
          QD2   LEU   80 - HH2   TRP   87  10.59 +/- 2.02  13.631% *  0.1752% (0.15  1.00   0.02   0.02) =   0.107%  kept
    Distance limit 5.02 A violated in 5 structures by 1.28 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.76, support = 0.734, residual support = 2.04:
          QD1   LEU   98 - HH2   TRP   87   8.10 +/- 5.22  42.693% * 94.3481% (0.76   0.75   2.09) =  97.819%  kept
          QD2   LEU  104 - HH2   TRP   87  11.33 +/- 5.17  19.697% *  2.3906% (0.73   0.02   0.02) =   1.144%  kept
          QD1   ILE   19 - HH2   TRP   87  16.37 +/- 4.95  13.616% *  1.8639% (0.57   0.02   0.02) =   0.616%  kept
          QG2   THR   46 - HH2   TRP   87  13.83 +/- 2.37  14.388% *  0.8209% (0.25   0.02   0.02) =   0.287%  kept
          QG2   VAL   18 - HH2   TRP   87  16.03 +/- 5.07   9.605% *  0.5766% (0.18   0.02   0.02) =   0.134%  kept
    Distance limit 4.56 A violated in 9 structures by 2.51 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.22, residual support = 70.6:
      O T HB2   TRP   87 - HE3   TRP   87   2.40 +/- 0.06  99.745% * 99.0099% (1.00  10.0 10.00   3.22  70.62) =  99.997%  kept
        T HB2   PHE   60 - HE3   TRP   87  19.02 +/- 2.86   0.255% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.91 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 = 0.937, support = 0.415, residual support = 0.385:
        T QD1   ILE  103 - HE3   TRP   87   7.70 +/- 4.79  32.413% * 97.1611% (0.95 10.00   0.42   0.39) =  98.428%  kept
          QG2   ILE  103 - HE3   TRP   87   8.43 +/- 4.49  25.003% *  1.5551% (0.28  1.00   0.23   0.39) =   1.215%  kept
          QD2   LEU   71 - HE3   TRP   87  16.53 +/- 5.17  11.070% *  0.4257% (0.87  1.00   0.02   0.02) =   0.147%  kept
          QG2   ILE  119 - HE3   TRP   87  18.27 +/- 2.62   6.824% *  0.4908% (1.00  1.00   0.02   0.02) =   0.105%  kept
          HG3   LYS+  74 - HE3   TRP   87  16.99 +/- 4.40  11.940% *  0.1842% (0.38  1.00   0.02   0.02) =   0.069%
          QD1   LEU   67 - HE3   TRP   87  15.15 +/- 3.55   6.074% *  0.0971% (0.20  1.00   0.02   0.02) =   0.018%
          QD2   LEU   40 - HE3   TRP   87  13.62 +/- 4.99   6.677% *  0.0859% (0.18  1.00   0.02   0.02) =   0.018%
    Distance limit 5.10 A violated in 5 structures by 1.81 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 70.6:
          HA    TRP   87 - HD1   TRP   87   4.17 +/- 0.44  95.202% * 99.0830% (0.80   4.13  70.62) =  99.985%  kept
          HA    PHE   59 - HD1   TRP   87  19.08 +/- 2.57   1.472% *  0.5783% (0.97   0.02   0.02) =   0.009%
          HA    ASP- 113 - HD1   TRP   87  20.93 +/- 3.81   1.563% *  0.2463% (0.41   0.02   0.02) =   0.004%
          HA    LYS+  99 - HD1   TRP   87  17.56 +/- 3.93   1.763% *  0.0925% (0.15   0.02   0.02) =   0.002%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 16.5:
        T HA    VAL   83 - HD1   TRP   87   3.95 +/- 0.25  93.478% * 95.9068% (0.41 10.00   4.31  16.54) =  99.933%  kept
        T HA    VAL   24 - HD1   TRP   87  14.62 +/- 5.11   4.077% *  0.8755% (0.38 10.00   0.02   0.02) =   0.040%
        T HA    LYS+  38 - HD1   TRP   87  22.78 +/- 4.56   0.627% *  2.0922% (0.90 10.00   0.02   0.02) =   0.015%
        T HA    GLU- 100 - HD1   TRP   87  19.43 +/- 4.14   0.992% *  1.0459% (0.45 10.00   0.02   0.02) =   0.012%
          HD2   PRO   58 - HD1   TRP   87  20.68 +/- 2.57   0.827% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.71 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 = 70.6:
      O   HB2   TRP   87 - HD1   TRP   87   3.89 +/- 0.03  98.639% * 99.0099% (1.00  10.0  1.00   3.94  70.62) =  99.986%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.96 +/- 2.98   1.361% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.014%
    Distance limit 4.94 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   2.93 +/- 0.46  94.303% * 98.2033% (1.00 10.00   3.60  22.68) =  99.986%  kept
        T HB2   ASN   28 - HD1   TRP   87  17.77 +/- 5.93   0.969% *  0.8221% (0.84 10.00   0.02   0.02) =   0.009%
        T HB2   ASN   35 - HD1   TRP   87  23.75 +/- 5.65   0.309% *  0.7881% (0.80 10.00   0.02   0.02) =   0.003%
          QE    LYS+  65 - HD1   TRP   87  16.99 +/- 4.34   1.490% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD1   TRP   87  12.05 +/- 1.84   2.518% *  0.0219% (0.22  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD1   TRP   87  20.83 +/- 4.60   0.412% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 70.6:
      O   HB3   TRP   87 - HD1   TRP   87   2.88 +/- 0.15  93.265% * 99.2543% (0.25  10.0   3.81  70.62) =  99.985%  kept
          HG3   MET   96 - HD1   TRP   87   9.48 +/- 3.94   5.572% *  0.2254% (0.57   1.0   0.02   0.02) =   0.014%
          HG3   GLN  116 - HD1   TRP   87  21.35 +/- 3.58   0.473% *  0.1229% (0.31   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  26.44 +/- 5.18   0.156% *  0.3187% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HD1   TRP   87  18.24 +/- 3.03   0.534% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.878, support = 3.65, residual support = 16.7:
        T QG2   VAL   83 - HD1   TRP   87   2.48 +/- 0.47  59.160% * 87.0370% (0.90 10.00   3.62  16.54) =  92.590%  kept
          QD1   ILE   89 - HD1   TRP   87   3.75 +/- 1.01  32.033% * 12.8581% (0.65  1.00   4.10  18.68) =   7.406%  kept
          QG2   VAL   43 - HD1   TRP   87   7.30 +/- 3.26   7.744% *  0.0131% (0.14  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HD1   TRP   87  12.97 +/- 5.00   1.062% *  0.0918% (0.95  1.00   0.02   1.71) =   0.002%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.919, support = 1.1, residual support = 18.4:
        T QG2   ILE   89 - HD1   TRP   87   4.38 +/- 0.18  43.443% * 89.9775% (0.95 10.00   1.04  18.68) =  87.728%  kept
          QG1   VAL   83 - HD1   TRP   87   4.01 +/- 0.65  54.828% *  9.9716% (0.73  1.00   1.50  16.54) =  12.270%  kept
          QD1   LEU  104 - HD1   TRP   87  14.81 +/- 3.21   1.729% *  0.0509% (0.28  1.00   0.02   0.02) =   0.002%
    Distance limit 5.09 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 = 0.586, support = 0.655, residual support = 1.23:
          QD2   LEU   98 - HZ2   TRP   87   9.11 +/- 5.06  15.681% * 41.3054% (0.53   0.75   2.09) =  50.979%  kept
          QG2   VAL   41 - HZ2   TRP   87  10.52 +/- 5.24  11.526% * 44.3626% (0.73   0.58   0.39) =  40.244%  kept
          QD2   LEU   80 - HZ2   TRP   87   8.59 +/- 2.03   8.674% *  4.3986% (0.15   0.27   0.02) =   3.003%  kept
          QD1   LEU   73 - HZ2   TRP   87  10.40 +/- 3.61   7.348% *  3.9669% (0.45   0.08   0.02) =   2.294%  kept
          QD2   LEU  115 - HN    ILE   56   6.52 +/- 1.26  20.207% *  1.1615% (0.01   1.46   0.02) =   1.847%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.61 +/- 1.86   9.060% *  1.1015% (0.53   0.02   0.02) =   0.785%  kept
          QD2   LEU   63 - HZ2   TRP   87  14.83 +/- 3.67   3.166% *  2.0521% (0.98   0.02   0.02) =   0.511%  kept
          QD1   LEU   63 - HZ2   TRP   87  15.28 +/- 3.91   2.771% *  0.9386% (0.45   0.02   0.02) =   0.205%  kept
          QD2   LEU  115 - HZ2   TRP   87  16.22 +/- 2.09   1.682% *  0.3667% (0.18   0.02   0.02) =   0.049%
          QD2   LEU   63 - HN    ILE   56  10.89 +/- 1.74   4.922% *  0.0891% (0.04   0.02   0.02) =   0.035%
          QD1   LEU   63 - HN    ILE   56   9.84 +/- 1.80   6.967% *  0.0407% (0.02   0.02   0.02) =   0.022%
          QD1   LEU   80 - HN    ILE   56  17.45 +/- 3.78   2.207% *  0.0478% (0.02   0.02   0.02) =   0.008%
          QG2   VAL   41 - HN    ILE   56  18.05 +/- 2.06   1.362% *  0.0660% (0.03   0.02   0.02) =   0.007%
          QD1   LEU   73 - HN    ILE   56  16.16 +/- 2.45   1.685% *  0.0407% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ILE   56  18.76 +/- 2.34   1.046% *  0.0478% (0.02   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    ILE   56  17.57 +/- 3.50   1.696% *  0.0140% (0.01   0.02   0.02) =   0.002%
    Distance limit 5.34 A violated in 1 structures by 0.25 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 0.674, residual support = 1.53:
          QD1   LEU   31 - HZ2   TRP   87  10.36 +/- 6.38  29.859% * 92.4210% (0.15   0.75   1.71) =  89.560%  kept
          QG2   VAL   43 - HZ2   TRP   87   6.94 +/- 4.08  44.056% *  7.1612% (0.45   0.02   0.02) =  10.239%  kept
          QG2   VAL   43 - HN    ILE   56  14.92 +/- 1.54  16.735% *  0.3108% (0.02   0.02   0.02) =   0.169%  kept
          QD1   LEU   31 - HN    ILE   56  18.93 +/- 2.47   9.350% *  0.1070% (0.01   0.02   0.02) =   0.032%
    Distance limit 4.99 A violated in 7 structures by 1.96 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.747, support = 2.76, residual support = 57.6:
          HA    TRP   49 - HE3   TRP   49   3.98 +/- 0.78  54.897% * 47.8024% (0.69   3.13  85.26) =  65.027%  kept
          HA    CYS   50 - HE3   TRP   49   5.68 +/- 1.36  31.243% * 41.9094% (0.87   2.18   5.41) =  32.446%  kept
          HA    ALA   47 - HE3   TRP   49   7.03 +/- 1.18  10.842% *  9.3261% (0.76   0.55  16.12) =   2.505%  kept
          HA1   GLY  109 - HE3   TRP   49  18.41 +/- 4.25   1.132% *  0.3709% (0.84   0.02   0.02) =   0.010%
          HA    VAL  108 - HE3   TRP   49  18.03 +/- 3.13   0.912% *  0.2872% (0.65   0.02   0.02) =   0.006%
          HA    CYS   21 - HE3   TRP   49  20.95 +/- 4.05   0.709% *  0.2161% (0.49   0.02   0.02) =   0.004%
          HA    LYS+ 102 - HE3   TRP   49  28.87 +/- 3.68   0.265% *  0.0879% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.28 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 = 0.995, support = 3.56, residual support = 84.9:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  71.099% * 95.9383% (1.00   3.57  85.26) =  99.612%  kept
          QE    PHE   95 - HE3   TRP   49  13.14 +/- 2.94   6.725% *  2.5344% (0.38   0.25   0.02) =   0.249%  kept
          HD2   HIS   22 - HE3   TRP   49  20.73 +/- 4.83   8.321% *  0.5273% (0.98   0.02   0.02) =   0.064%
          HN    LEU   67 - HE3   TRP   49  17.75 +/- 6.19   6.881% *  0.4308% (0.80   0.02   0.02) =   0.043%
          HD21  ASN   35 - HE3   TRP   49  31.57 +/- 6.51   4.964% *  0.3480% (0.65   0.02   0.02) =   0.025%
          HN    THR   23 - HE3   TRP   49  20.48 +/- 4.02   2.011% *  0.2212% (0.41   0.02   0.02) =   0.006%
    Distance limit 4.41 A violated in 0 structures by 0.66 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.782, support = 0.02, residual support = 40.9:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  39.767% * 16.7579% (0.84   0.02  85.26) =  47.964%  kept
          HN    LEU   67 - HH2   TRP   49  16.95 +/- 6.63  12.941% * 20.0629% (1.00   0.02   0.02) =  18.686%  kept
          QE    PHE   95 - HH2   TRP   49  12.02 +/- 3.18  12.907% * 15.3326% (0.76   0.02   0.02) =  14.243%  kept
          QD    PHE   55 - HH2   TRP   49  11.31 +/- 3.87  16.524% *  6.8436% (0.34   0.02   0.02) =   8.139%  kept
          HD2   HIS   22 - HH2   TRP   49  20.38 +/- 4.66   3.770% * 13.7814% (0.69   0.02   0.02) =   3.740%  kept
          HE3   TRP   27 - HH2   TRP   49  20.51 +/- 4.54   8.615% *  5.5782% (0.28   0.02   0.02) =   3.459%  kept
          HN    THR   23 - HH2   TRP   49  19.99 +/- 3.84   2.081% * 16.0651% (0.80   0.02   0.02) =   2.407%  kept
          HD21  ASN   35 - HH2   TRP   49  30.54 +/- 6.46   3.394% *  5.5782% (0.28   0.02   0.02) =   1.363%  kept
    Distance limit 4.31 A violated in 17 structures by 1.88 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.754, support = 4.1, residual support = 50.7:
          HA    TRP   49 - HD1   TRP   49   4.43 +/- 0.38  36.888% * 45.3746% (0.69   5.07  85.26) =  54.822%  kept
          HA    CYS   50 - HD1   TRP   49   5.54 +/- 0.94  22.867% * 41.4332% (0.87   3.67   5.41) =  31.031%  kept
          HA    ALA   47 - HD1   TRP   49   4.64 +/- 0.79  34.132% * 12.6277% (0.76   1.27  16.12) =  14.117%  kept
          HA    CYS   21 - HD1   TRP   49  19.97 +/- 4.55   3.581% *  0.1268% (0.49   0.02   0.02) =   0.015%
          HA1   GLY  109 - HD1   TRP   49  17.12 +/- 3.27   1.214% *  0.2176% (0.84   0.02   0.02) =   0.009%
          HA    VAL  108 - HD1   TRP   49  16.38 +/- 2.64   1.118% *  0.1686% (0.65   0.02   0.02) =   0.006%
          HA    LYS+ 102 - HD1   TRP   49  27.07 +/- 3.63   0.200% *  0.0516% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.4:
          HN    PHE   95 - QD    PHE   95   3.19 +/- 0.65 100.000% *100.0000% (0.61   3.86  73.44) = 100.000%  kept
    Distance limit 4.84 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 = 73.4:
        T HA    PHE   95 - QD    PHE   95   2.45 +/- 0.49 100.000% *100.0000% (0.98 10.00   3.44  73.44) = 100.000%  kept
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.895, support = 1.99, residual support = 4.42:
          HA    ASP-  44 - QD    PHE   95   3.51 +/- 1.49  66.372% * 93.1915% (0.90   2.00   4.43) =  99.676%  kept
          HB    THR   77 - QD    PHE   95  10.55 +/- 2.15   7.454% *  0.8679% (0.84   0.02   0.02) =   0.104%  kept
          HA    ILE  103 - QD    PHE   95  11.04 +/- 0.77   5.403% *  0.7546% (0.73   0.02   0.02) =   0.066%
          HA    SER   85 - QD    PHE   95  14.34 +/- 1.04   2.823% *  0.8679% (0.84   0.02   0.02) =   0.039%
          HA    ASP-  86 - QD    PHE   95  15.14 +/- 1.49   2.537% *  0.7546% (0.73   0.02   0.02) =   0.031%
          HA    LEU  104 - QD    PHE   95  11.59 +/- 0.77   5.286% *  0.2889% (0.28   0.02   0.02) =   0.025%
          HA    GLU-  79 - QD    PHE   95  14.17 +/- 3.02   3.157% *  0.3545% (0.34   0.02   0.02) =   0.018%
          HA1   GLY   51 - QD    PHE   95  14.25 +/- 2.19   3.832% *  0.2056% (0.20   0.02   0.02) =   0.013%
          HA    GLU-  14 - QD    PHE   95  21.10 +/- 2.53   0.799% *  0.6722% (0.65   0.02   0.02) =   0.009%
          HA    MET   11 - QD    PHE   95  27.53 +/- 3.74   0.450% *  0.9592% (0.92   0.02   0.02) =   0.007%
          HA    THR   39 - QD    PHE   95  15.61 +/- 1.60   1.402% *  0.2889% (0.28   0.02   0.02) =   0.007%
          HA    ALA   12 - QD    PHE   95  25.56 +/- 3.25   0.487% *  0.7941% (0.76   0.02   0.02) =   0.006%
    Distance limit 4.81 A violated in 2 structures by 0.26 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.4:
      O T HB2   PHE   95 - QD    PHE   95   2.45 +/- 0.17 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.44) = 100.000%  kept
    Distance limit 4.36 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 = 73.3:
      O T HB3   PHE   95 - QD    PHE   95   2.58 +/- 0.19  95.445% * 96.3284% (0.99  10.0 10.00   3.31  73.44) =  99.829%  kept
          HG2   GLN  116 - QD    PHE   95   9.65 +/- 2.57   4.309% *  3.6446% (1.00   1.0  1.00   0.75   0.02) =   0.171%  kept
          HG2   GLU-  25 - QD    PHE   95  20.20 +/- 2.10   0.246% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.92, support = 3.68, residual support = 46.3:
        T HB    VAL  107 - QD    PHE   95   2.51 +/- 0.73  75.175% * 95.7025% (0.92 10.00   3.70  46.61) =  99.298%  kept
          HB3   PHE   45 - QD    PHE   95   6.07 +/- 1.29  12.833% *  3.0759% (0.53  1.00   1.13   1.89) =   0.545%  kept
          QE    LYS+ 112 - QD    PHE   95   8.33 +/- 2.38  10.459% *  1.0805% (0.53  1.00   0.40   0.02) =   0.156%  kept
          QG    GLU-  79 - QD    PHE   95  12.68 +/- 2.50   1.225% *  0.0545% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  18.54 +/- 1.14   0.308% *  0.0866% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.726, support = 0.646, residual support = 2.84:
          HB3   ASP-  44 - QD    PHE   95   4.04 +/- 2.08  32.415% * 25.0382% (0.76   0.75   4.43) =  60.542%  kept
          HB3   PRO   93 - QD    PHE   95   5.54 +/- 1.38  14.649% * 10.3605% (1.00   0.24   0.02) =  11.321%  kept
          HB2   LEU   63 - QD    PHE   95   8.07 +/- 2.23   6.863% * 19.0501% (0.65   0.67   0.93) =   9.753%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.64 +/- 1.04   5.025% * 17.6095% (0.61   0.66   0.02) =   6.601%  kept
          HB3   LEU   73 - QD    PHE   95  10.07 +/- 3.50  12.231% *  6.4646% (0.38   0.39   0.39) =   5.898%  kept
          HB    VAL   42 - QD    PHE   95   7.33 +/- 1.63   5.374% * 10.1121% (0.31   0.75   0.96) =   4.054%  kept
          HG    LEU   98 - QD    PHE   95  10.92 +/- 1.54   1.713% *  6.5366% (0.97   0.16   0.02) =   0.835%  kept
          HG3   LYS+  65 - QD    PHE   95  11.61 +/- 2.92   5.466% *  1.1137% (0.31   0.08   0.02) =   0.454%  kept
          HB2   LYS+ 112 - QD    PHE   95   8.95 +/- 2.15   8.019% *  0.4253% (0.49   0.02   0.02) =   0.254%  kept
          QB    ALA   84 - QD    PHE   95  10.39 +/- 0.93   1.801% *  0.8717% (1.00   0.02   0.02) =   0.117%  kept
          HG2   LYS+ 111 - QD    PHE   95   9.89 +/- 1.91   3.393% *  0.2697% (0.31   0.02   0.02) =   0.068%
          HB3   LEU   80 - QD    PHE   95  13.08 +/- 2.47   1.319% *  0.4597% (0.53   0.02   0.02) =   0.045%
          QB    ALA  124 - QD    PHE   95  15.27 +/- 2.53   0.488% *  0.7835% (0.90   0.02   0.02) =   0.029%
          HG3   LYS+ 102 - QD    PHE   95  15.95 +/- 1.39   0.504% *  0.3592% (0.41   0.02   0.02) =   0.014%
          HB2   LEU   31 - QD    PHE   95  16.18 +/- 1.52   0.398% *  0.3279% (0.38   0.02   0.02) =   0.010%
          HG3   LYS+  33 - QD    PHE   95  17.73 +/- 1.96   0.338% *  0.2179% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.24, residual support = 46.6:
        T QG2   VAL  107 - QD    PHE   95   2.30 +/- 0.50  94.278% * 99.7831% (0.99 10.00   4.24  46.61) =  99.996%  kept
          HG2   LYS+ 121 - QD    PHE   95  12.73 +/- 4.04   1.920% *  0.0873% (0.87  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QD    PHE   95  10.38 +/- 1.01   1.658% *  0.0806% (0.80  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    PHE   95  12.31 +/- 2.43   2.144% *  0.0490% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 4.34 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 = 0.979, support = 1.42, residual support = 7.12:
        T QD2   LEU  115 - QD    PHE   95   5.40 +/- 2.76  34.344% * 87.1147% (0.99 10.00   1.45   7.63) =  92.606%  kept
          QD1   LEU   63 - QD    PHE   95   7.12 +/- 2.46  20.650% *  6.9418% (0.90  1.00   1.28   0.93) =   4.437%  kept
          QD1   LEU   73 - QD    PHE   95   9.19 +/- 2.67  16.122% *  4.2833% (0.90  1.00   0.79   0.39) =   2.137%  kept
          QD2   LEU   63 - QD    PHE   95   7.19 +/- 2.48  18.320% *  1.3947% (0.31  1.00   0.75   0.93) =   0.791%  kept
          QD1   LEU  104 - QD    PHE   95   9.50 +/- 1.15   3.993% *  0.1013% (0.84  1.00   0.02   0.02) =   0.013%
          QD2   LEU   80 - QD    PHE   95  11.98 +/- 2.10   3.293% *  0.1188% (0.98  1.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - QD    PHE   95  11.04 +/- 1.79   3.278% *  0.0455% (0.38  1.00   0.02   0.02) =   0.005%
    Distance limit 4.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.679, support = 0.797, residual support = 0.774:
        T QG1   VAL   42 - QD    PHE   95   4.41 +/- 1.51  53.800% * 39.7749% (0.65 10.00   0.75   0.96) =  68.463%  kept
        T QB    ALA   47 - QD    PHE   95   8.68 +/- 1.73  16.479% * 55.8178% (0.76 10.00   0.89   0.38) =  29.429%  kept
          QB    ALA   64 - QD    PHE   95   7.25 +/- 0.96  14.954% *  4.3567% (0.53  1.00   1.01   0.24) =   2.084%  kept
          HG2   LYS+ 112 - QD    PHE   95   8.98 +/- 2.00  14.766% *  0.0506% (0.31  1.00   0.02   0.02) =   0.024%
    Distance limit 4.67 A violated in 1 structures by 0.17 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.72, support = 4.93, residual support = 19.0:
          HA    ILE  119 - HD2   HIS  122   2.08 +/- 0.17  91.160% * 61.2693% (0.73   4.97  19.67) =  95.948%  kept
          HA    THR  118 - HD2   HIS  122   5.17 +/- 0.31   6.203% * 37.9672% (0.57   3.95   3.06) =   4.046%  kept
          HD3   PRO   58 - HD2   HIS  122  10.09 +/- 2.44   1.717% *  0.1048% (0.31   0.02   0.02) =   0.003%
          HB2   TRP   49 - HD2   HIS  122  20.92 +/- 4.76   0.280% *  0.2197% (0.65   0.02   0.02) =   0.001%
          HA    VAL   75 - HD2   HIS  122  16.95 +/- 2.90   0.285% *  0.1923% (0.57   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD2   HIS  122  16.69 +/- 2.83   0.249% *  0.0944% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  21.41 +/- 2.35   0.106% *  0.1523% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 3.6, residual support = 71.1:
      O T HB2   HIS  122 - HD2   HIS  122   3.69 +/- 0.45  92.801% * 99.7225% (0.49  10.0 10.00   3.60  71.09) =  99.992%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.09 +/- 0.86   3.161% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HD2   HIS  122  23.46 +/- 6.25   1.975% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  14.65 +/- 2.29   2.063% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.02 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 = 0.944, support = 4.3, residual support = 69.9:
      O T HB3   HIS  122 - HD2   HIS  122   3.18 +/- 0.46  65.879% * 85.8304% (0.97  10.0 10.00   4.27  71.09) =  92.408%  kept
          QE    LYS+ 121 - HD2   HIS  122   4.90 +/- 1.13  32.945% * 14.0994% (0.69   1.0  1.00   4.62  55.20) =   7.591%  kept
          HB3   ASP-  78 - HD2   HIS  122  22.24 +/- 4.55   0.686% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HD2   HIS  122  21.59 +/- 4.87   0.489% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.694, support = 0.0535, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  13.42 +/- 5.40   5.996% * 36.8574% (0.65   0.13   0.02) =  31.148%  kept
          HB    ILE   56 - HD2   HIS  122   9.87 +/- 2.55  17.942% *  8.7586% (0.98   0.02   0.02) =  22.150%  kept
          HB3   PRO   58 - HD2   HIS  122  10.01 +/- 3.13  17.188% *  5.4197% (0.61   0.02   0.02) =  13.130%  kept
          HB3   ASP- 105 - HD2   HIS  122  11.97 +/- 8.01  20.133% *  3.0480% (0.34   0.02   0.02) =   8.650%  kept
          HB3   GLN   30 - HD2   HIS  122  20.30 +/- 4.86   5.393% *  8.2485% (0.92   0.02   0.02) =   6.270%  kept
          HB2   MET   92 - HD2   HIS  122  18.82 +/- 3.80   5.820% *  7.1550% (0.80   0.02   0.02) =   5.870%  kept
          HG3   PRO   68 - HD2   HIS  122  16.61 +/- 5.61  11.920% *  2.2281% (0.25   0.02   0.02) =   3.744%  kept
          HB3   LYS+  38 - HD2   HIS  122  21.86 +/- 6.79   2.044% *  8.9157% (1.00   0.02   0.02) =   2.569%  kept
          HG2   ARG+  54 - HD2   HIS  122  15.89 +/- 4.17   5.852% *  2.7579% (0.31   0.02   0.02) =   2.275%  kept
          QB    LYS+  33 - HD2   HIS  122  21.25 +/- 5.06   2.827% *  4.0061% (0.45   0.02   0.02) =   1.597%  kept
          QB    LYS+  81 - HD2   HIS  122  22.99 +/- 2.20   1.418% *  5.4197% (0.61   0.02   0.02) =   1.083%  kept
          HB    ILE  103 - HD2   HIS  122  18.31 +/- 7.14   2.505% *  2.4844% (0.28   0.02   0.02) =   0.877%  kept
          HB3   GLN   90 - HD2   HIS  122  22.49 +/- 2.77   0.961% *  4.7012% (0.53   0.02   0.02) =   0.637%  kept
    Distance limit 4.95 A violated in 9 structures by 1.34 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.901, support = 6.12, residual support = 53.9:
          HB2   LYS+ 121 - HD2   HIS  122   3.20 +/- 0.36  78.333% * 69.0073% (0.92   6.20  55.20) =  94.500%  kept
          HB2   LEU  123 - HD2   HIS  122   6.48 +/- 0.34  10.542% * 29.7252% (0.53   4.69  32.07) =   5.478%  kept
          QD    LYS+  65 - HD2   HIS  122  14.12 +/- 1.81   1.189% *  0.2280% (0.95   0.02   0.02) =   0.005%
          HG3   PRO   93 - HD2   HIS  122  15.47 +/- 3.16   1.958% *  0.1364% (0.57   0.02   0.02) =   0.005%
          QD    LYS+  38 - HD2   HIS  122  20.43 +/- 6.44   0.873% *  0.2405% (1.00   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HD2   HIS  122  20.34 +/- 7.08   0.685% *  0.1842% (0.76   0.02   0.02) =   0.002%
          QB    ALA   57 - HD2   HIS  122  10.27 +/- 2.08   3.330% *  0.0372% (0.15   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  17.01 +/- 3.54   1.028% *  0.0904% (0.38   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  22.33 +/- 2.59   0.292% *  0.2362% (0.98   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  17.89 +/- 3.46   1.122% *  0.0477% (0.20   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HD2   HIS  122  17.08 +/- 1.31   0.648% *  0.0670% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.84 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 = 0.753, support = 4.98, residual support = 55.1:
          HB3   LYS+ 121 - HD2   HIS  122   4.58 +/- 0.59  35.425% * 70.0694% (1.00   4.76  55.20) =  62.526%  kept
          HD2   LYS+ 121 - HD2   HIS  122   3.72 +/- 1.01  54.780% * 27.0276% (0.34   5.37  55.20) =  37.295%  kept
          HG    LEU  104 - HD2   HIS  122  15.64 +/- 8.22   3.111% *  1.8768% (1.00   0.13   0.02) =   0.147%  kept
          QD    LYS+  66 - HD2   HIS  122  14.17 +/- 3.91   3.180% *  0.2142% (0.73   0.02   0.02) =   0.017%
          HB3   LYS+ 111 - HD2   HIS  122  15.00 +/- 1.36   0.824% *  0.2847% (0.97   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HD2   HIS  122  17.65 +/- 3.62   0.626% *  0.2791% (0.95   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HD2   HIS  122  15.66 +/- 1.86   0.751% *  0.0820% (0.28   0.02   0.02) =   0.002%
          QG2   THR   26 - HD2   HIS  122  19.30 +/- 3.97   0.797% *  0.0657% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HD2   HIS  122  22.78 +/- 5.28   0.505% *  0.1006% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 0.2, support = 3.43, residual support = 19.0:
          QG2   ILE  119 - HD2   HIS  122   3.54 +/- 0.21  68.045% * 69.0351% (0.18  1.00   3.55  19.67) =  96.698%  kept
          QD1   LEU   67 - HD2   HIS  122  12.41 +/- 4.38  10.250% * 10.4096% (1.00  1.00   0.09   0.02) =   2.196%  kept
          QD2   LEU   40 - HD2   HIS  122  12.23 +/- 6.03  10.772% *  2.2238% (1.00  1.00   0.02   0.02) =   0.493%  kept
        T HB    VAL   75 - HD2   HIS  122  15.41 +/- 2.81   1.259% * 12.5903% (0.57 10.00   0.02   0.02) =   0.326%  kept
          QG2   ILE  103 - HD2   HIS  122  13.44 +/- 5.94   3.888% *  2.1461% (0.97  1.00   0.02   0.02) =   0.172%  kept
          QD2   LEU   71 - HD2   HIS  122  15.58 +/- 4.02   2.299% *  0.9142% (0.41  1.00   0.02   0.02) =   0.043%
          QD1   ILE  103 - HD2   HIS  122  15.58 +/- 5.97   2.677% *  0.6864% (0.31  1.00   0.02   0.02) =   0.038%
          HG3   LYS+  74 - HD2   HIS  122  17.88 +/- 3.35   0.811% *  1.9944% (0.90  1.00   0.02   0.02) =   0.033%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 4.46, residual support = 31.8:
          QD1   LEU  123 - HD2   HIS  122   4.11 +/- 0.26  52.786% * 52.2224% (0.49   4.63  32.07) =  77.870%  kept
          QD2   LEU  123 - HD2   HIS  122   6.51 +/- 0.74  16.853% * 44.8647% (0.49   3.98  32.07) =  21.358%  kept
          HB3   LEU  104 - HD2   HIS  122  14.64 +/- 8.30   9.693% *  2.4670% (0.84   0.13   0.02) =   0.675%  kept
          QD1   LEU   71 - HD2   HIS  122  16.24 +/- 4.79   8.618% *  0.2255% (0.49   0.02   0.02) =   0.055%
          QG1   VAL   70 - HD2   HIS  122  11.60 +/- 4.50  10.171% *  0.1288% (0.28   0.02   0.02) =   0.037%
          QG1   VAL   18 - HD2   HIS  122  14.13 +/- 2.78   1.879% *  0.0917% (0.20   0.02   0.02) =   0.005%
    Distance limit 5.04 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 = 0.985, residual support = 3.06:
        T QG2   THR  118 - HD2   HIS  122   3.57 +/- 0.16 100.000% *100.0000% (0.69 10.00   0.98   3.06) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.07 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 = 0.871, support = 1.28, residual support = 17.5:
          HB3   LEU   73 - HE3   TRP   27   5.25 +/- 2.60  27.711% * 43.6754% (0.94   1.38  22.62) =  76.894%  kept
          HB    VAL   42 - HE3   TRP   27   9.70 +/- 2.21   6.439% * 32.8592% (0.97   1.00   0.32) =  13.442%  kept
          HG3   LYS+  65 - HN    LEU   67   6.00 +/- 1.03  16.678% *  5.0690% (0.15   0.99   0.51) =   5.371%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.67 +/- 1.67   4.377% *  8.5479% (0.31   0.83   0.02) =   2.377%  kept
          HB2   LEU   80 - HE3   TRP   27  13.58 +/- 6.76   4.730% *  4.4572% (0.17   0.76   5.12) =   1.339%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.24 +/- 0.81   4.601% *  0.6688% (0.99   0.02   0.02) =   0.195%  kept
          QB    LEU   98 - HE3   TRP   27  10.24 +/- 3.13   3.866% *  0.3795% (0.56   0.02   0.02) =   0.093%
          HG3   LYS+  65 - HE3   TRP   27  14.09 +/- 2.27   1.469% *  0.6570% (0.97   0.02   0.02) =   0.061%
          HB    VAL   42 - HN    LEU   67   9.23 +/- 2.01   4.457% *  0.1022% (0.15   0.02   0.02) =   0.029%
          QB    ALA   12 - HE3   TRP   27  16.00 +/- 3.18   0.798% *  0.5598% (0.83   0.02   0.02) =   0.028%
          HD3   LYS+ 121 - HE3   TRP   27  19.77 +/- 6.38   2.110% *  0.1864% (0.28   0.02   0.02) =   0.025%
          HG3   LYS+ 106 - HE3   TRP   27  16.13 +/- 3.25   0.735% *  0.5122% (0.76   0.02   0.02) =   0.024%
          HG3   LYS+ 102 - HE3   TRP   27  17.89 +/- 4.04   0.603% *  0.6187% (0.91   0.02   0.02) =   0.024%
          HG    LEU   98 - HE3   TRP   27  11.38 +/- 3.88   3.281% *  0.0907% (0.13   0.02   0.02) =   0.019%
          QB    ALA   84 - HE3   TRP   27  14.11 +/- 3.89   1.455% *  0.1326% (0.20   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HE3   TRP   27  21.97 +/- 3.93   0.330% *  0.5814% (0.86   0.02   0.02) =   0.012%
          HB3   LEU   73 - HN    LEU   67  11.48 +/- 1.22   1.729% *  0.0987% (0.15   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HN    LEU   67  10.14 +/- 2.52   4.632% *  0.0322% (0.05   0.02   0.02) =   0.009%
          HB3   PRO   93 - HE3   TRP   27  17.03 +/- 2.16   0.660% *  0.1492% (0.22   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HN    LEU   67  16.35 +/- 2.15   0.703% *  0.1041% (0.15   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HN    LEU   67  17.83 +/- 3.10   0.749% *  0.0905% (0.13   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    LEU   67  16.53 +/- 4.83   2.286% *  0.0290% (0.04   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    LEU   67  14.34 +/- 1.49   0.823% *  0.0590% (0.09   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LEU   67  14.69 +/- 3.16   1.859% *  0.0232% (0.03   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    LEU   67  18.11 +/- 2.77   0.441% *  0.0871% (0.13   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LEU   67  17.74 +/- 3.13   0.476% *  0.0797% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   67  22.79 +/- 2.36   0.201% *  0.0963% (0.14   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  16.79 +/- 2.27   0.651% *  0.0206% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  16.04 +/- 2.42   0.684% *  0.0141% (0.02   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  18.48 +/- 2.66   0.464% *  0.0183% (0.03   0.02   0.02) =   0.001%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :     76
      with multiple volume contributions     :    124
      eliminated by violation filter         :      8
 
    Peaks:
      selected                               :    240
      without assignment                     :     21
      with assignment                        :    219
      with unique assignment                 :    105
      with multiple assignment               :    114
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    187
 
    Atoms with eliminated volume contribution > 2.5: